#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnj h SER 1 N 0.00 0.00 -4.81 1.61 0.02 -2.10 -3.46 113.55 104.82 1pnj h SER 1 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1pnj h SER 1 Cb 0.00 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.66 1pnj h SER 1 CO 0.00 0.00 -0.56 0.80 -1.14 0.00 0.00 176.83 175.93 1pnj n MET 1 N -2.94 -5.83 -3.96 3.45 0.00 -1.26 -5.00 117.12 101.60 1pnj n MET 1 Ca -0.03 0.65 -0.08 0.00 -0.00 0.00 0.00 57.70 58.24 1pnj n MET 1 Cb 0.14 -5.14 -0.04 0.00 0.00 0.00 0.00 33.22 28.18 1pnj n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1pnj s SER 2 N -3.56 -0.14 0.64 6.12 1.04 -1.26 -5.16 113.70 111.38 1pnj s SER 2 Ca 0.28 -0.84 -0.16 0.00 0.48 0.00 0.00 55.95 55.71 1pnj s SER 2 Cb -0.12 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1pnj s SER 2 CO 0.57 -1.21 1.13 0.00 0.98 0.00 0.00 173.24 174.71 1pnj s ALA 3 N -3.97 2.48 -0.66 5.32 0.00 -1.26 -4.95 121.76 118.72 1pnj s ALA 3 Ca 0.19 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 1pnj s ALA 3 Cb -0.02 -3.35 0.44 0.00 0.00 0.00 0.00 23.12 20.19 1pnj s ALA 3 CO 0.09 -1.24 2.04 -0.85 0.00 0.00 0.00 175.76 175.79 1pnj n GLU 4 N -2.21 2.66 -1.95 0.00 0.28 -1.26 -4.89 120.64 113.27 1pnj n GLU 4 Ca 0.11 -3.23 0.00 0.00 -0.16 0.00 0.00 57.16 53.88 1pnj n GLU 4 Cb 0.51 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.12 1pnj n GLU 4 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pnj n GLY 5 N -0.87 0.14 3.85 -1.84 0.00 -1.26 -4.46 105.19 100.75 1pnj n GLY 5 Ca 0.62 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1pnj n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnj s TYR 6 N -2.85 3.57 0.24 1.61 2.02 -1.11 -3.70 117.35 117.13 1pnj s TYR 6 Ca 0.00 0.96 0.08 0.00 -0.37 0.00 0.00 57.07 57.74 1pnj s TYR 6 Cb 0.00 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.21 1pnj s TYR 6 CO 0.00 0.42 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.62 1pnj s GLN 7 N -2.10 1.46 0.04 -0.62 -0.21 -0.66 -1.79 119.66 115.78 1pnj s GLN 7 Ca 0.38 -1.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.09 1pnj s GLN 7 Cb -0.14 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.59 1pnj s GLN 7 CO 0.19 0.17 -0.04 0.71 -2.12 0.00 0.00 175.29 174.21 1pnj s TYR 8 N -2.90 0.46 -0.14 0.91 1.51 -0.81 -2.52 117.35 113.86 1pnj s TYR 8 Ca 0.26 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1pnj s TYR 8 Cb -0.00 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.55 1pnj s TYR 8 CO 0.10 -0.25 -0.16 0.50 -1.11 0.00 0.00 175.55 174.63 1pnj s ARG 9 N -2.62 2.47 0.48 -0.62 3.52 -0.15 -1.75 118.95 120.27 1pnj s ARG 9 Ca -0.04 -0.63 -0.22 0.00 -0.13 0.00 0.00 55.73 54.70 1pnj s ARG 9 Cb -0.02 -2.17 -0.09 0.00 -1.56 0.00 0.00 34.95 31.11 1pnj s ARG 9 CO -0.05 -0.18 0.94 0.00 -0.81 0.00 0.00 175.30 175.21 1pnj n ALA 10 N 4.56 0.01 -0.08 6.12 0.00 -1.05 -0.47 120.51 129.60 1pnj n ALA 10 Ca -0.18 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1pnj n ALA 10 Cb 0.50 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 1pnj n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pnj n LEU 11 N 0.24 2.74 -3.96 0.00 7.94 -0.11 -4.59 117.00 119.26 1pnj n LEU 11 Ca 0.11 -0.05 -0.09 0.00 -1.11 0.00 0.00 56.01 54.87 1pnj n LEU 11 Cb 0.42 -0.56 -0.10 0.00 0.53 0.00 0.00 43.42 43.70 1pnj n LEU 11 CO 0.54 0.72 -0.28 -0.31 -1.11 0.00 0.00 177.39 176.95 1pnj s TYR 12 N -2.33 0.23 0.03 1.96 2.02 -1.24 -5.01 117.35 113.01 1pnj s TYR 12 Ca -0.22 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.66 1pnj s TYR 12 Cb 0.06 -0.17 -0.07 0.00 -0.40 0.00 0.00 41.96 41.37 1pnj s TYR 12 CO 0.37 -0.28 1.68 0.34 -1.57 0.00 0.00 175.55 176.08 1pnj s ASP 13 N -1.80 6.62 -0.04 2.29 2.15 -1.26 -4.68 116.67 119.94 1pnj s ASP 13 Ca -0.10 2.42 0.06 0.00 0.43 0.00 0.00 52.55 55.35 1pnj s ASP 13 Cb -0.05 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1pnj s ASP 13 CO -0.03 -0.91 -0.21 -0.47 -0.17 0.00 0.00 175.17 173.38 1pnj s TYR 14 N 3.23 2.03 0.19 -5.34 6.14 -0.70 -4.99 117.35 117.91 1pnj s TYR 14 Ca 0.75 -0.53 -0.04 0.00 0.64 0.00 0.00 57.07 57.88 1pnj s TYR 14 Cb -0.38 -1.33 -0.05 0.00 0.42 0.00 0.00 41.96 40.61 1pnj s TYR 14 CO 0.32 -0.14 0.43 0.15 0.64 0.00 0.00 175.55 176.95 1pnj s LYS 15 N -0.20 3.62 -0.07 4.97 1.02 -1.26 -1.59 119.74 126.23 1pnj s LYS 15 Ca 0.00 -0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.71 1pnj s LYS 15 Cb -0.11 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1pnj s LYS 15 CO 0.02 0.39 0.57 -1.59 -0.92 0.00 0.00 175.35 173.82 1pnj s LYS 16 N -2.96 4.35 -0.00 1.68 0.00 -1.26 -4.93 119.74 116.61 1pnj s LYS 16 Ca 0.42 0.64 0.10 0.00 0.00 0.00 0.00 55.97 57.13 1pnj s LYS 16 Cb -0.12 -3.41 -0.12 0.00 0.00 0.00 0.00 37.83 34.18 1pnj s LYS 16 CO 0.26 0.19 0.42 -1.91 0.00 0.00 0.00 175.35 174.32 1pnj n GLU 17 N 3.43 3.15 -4.71 1.78 2.13 -1.26 -4.98 120.64 120.18 1pnj n GLU 17 Ca -0.05 -0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.46 1pnj n GLU 17 Cb 0.51 -1.03 -0.14 0.00 0.27 0.00 0.00 31.44 31.06 1pnj n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pnj s ARG 18 N -2.08 1.62 0.58 5.31 6.06 -1.26 -5.01 118.95 124.17 1pnj s ARG 18 Ca 0.03 -1.17 0.38 0.00 -2.50 0.00 0.00 55.73 52.48 1pnj s ARG 18 Cb 0.08 -1.89 1.99 0.00 0.06 0.00 0.00 34.95 35.18 1pnj s ARG 18 CO 0.43 0.48 2.17 0.93 -2.50 0.00 0.00 175.30 176.81 1pnj h GLU 19 N 4.50 0.00 0.00 5.12 5.08 -2.03 -1.95 114.58 125.30 1pnj h GLU 19 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1pnj h GLU 19 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1pnj h GLU 19 CO 0.42 0.00 -0.23 1.49 -1.00 0.00 0.00 179.01 179.69 1pnj h GLU 20 N 0.00 0.00 -6.34 2.33 4.22 -1.98 -3.46 114.58 109.35 1pnj h GLU 20 Ca 0.00 0.00 -0.44 0.00 0.08 0.00 0.00 59.36 59.00 1pnj h GLU 20 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1pnj h GLU 20 CO 0.00 0.00 -0.33 0.34 -2.18 0.00 0.00 179.01 176.84 1pnj s ASP 21 N -5.94 5.99 0.35 1.04 -1.08 -0.73 -3.35 116.67 112.94 1pnj s ASP 21 Ca 0.05 -0.12 0.06 0.00 -0.52 0.00 0.00 52.55 52.02 1pnj s ASP 21 Cb 0.06 -1.31 -0.07 0.00 -1.46 0.00 0.00 42.92 40.14 1pnj s ASP 21 CO 0.69 -0.42 0.01 0.27 0.52 0.00 0.00 175.17 176.25 1pnj s ILE 22 N -2.19 1.59 0.19 4.11 -4.36 -1.26 -4.83 121.20 114.45 1pnj s ILE 22 Ca 0.44 -2.03 -0.30 0.00 -0.26 0.00 0.00 60.65 58.50 1pnj s ILE 22 Cb -0.10 -2.79 -0.08 0.00 1.25 0.00 0.00 42.46 40.74 1pnj s ILE 22 CO 0.31 -0.06 1.10 -1.81 0.24 0.00 0.00 174.94 174.72 1pnj s ASP 23 N -3.56 7.26 -0.04 4.36 1.11 -1.26 -4.34 116.67 120.20 1pnj s ASP 23 Ca 0.35 2.11 0.04 0.00 0.18 0.00 0.00 52.55 55.23 1pnj s ASP 23 Cb 0.08 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 1pnj s ASP 23 CO 0.16 -0.21 -0.17 -0.76 1.18 0.00 0.00 175.17 175.36 1pnj s LEU 24 N -0.47 1.92 0.00 1.23 1.43 -0.62 -5.02 118.68 117.15 1pnj s LEU 24 Ca 0.49 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1pnj s LEU 24 Cb -0.30 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1pnj s LEU 24 CO 0.35 0.15 0.12 1.41 0.23 0.00 0.00 176.35 178.61 1pnj n HIS 25 N 3.16 -0.09 -2.48 0.29 8.25 -1.26 -1.71 115.22 121.37 1pnj n HIS 25 Ca -0.18 -1.66 -0.29 0.00 -0.26 0.00 0.00 57.72 55.32 1pnj n HIS 25 Cb 0.53 0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 1pnj n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pnj s LEU 26 N 0.00 3.57 0.00 2.41 1.43 -1.26 -3.88 118.68 120.95 1pnj s LEU 26 Ca 0.16 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1pnj s LEU 26 Cb 0.01 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1pnj s LEU 26 CO 0.12 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1pnj n GLY 27 N -2.11 0.56 3.60 -3.19 0.00 -1.26 -4.91 105.19 97.88 1pnj n GLY 27 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1pnj n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pnj s ASP 28 N -2.40 6.48 -0.03 1.61 1.11 -1.25 -4.91 116.67 117.28 1pnj s ASP 28 Ca 0.00 0.73 -0.14 0.00 0.18 0.00 0.00 52.55 53.32 1pnj s ASP 28 Cb 0.00 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 1pnj s ASP 28 CO 0.00 -1.33 0.38 -0.63 1.18 0.00 0.00 175.17 174.77 1pnj s ILE 29 N 4.95 5.10 0.05 0.77 1.01 -1.26 -2.51 121.20 129.31 1pnj s ILE 29 Ca 0.56 0.77 0.02 0.00 0.00 0.00 0.00 60.65 62.00 1pnj s ILE 29 Cb -0.11 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1pnj s ILE 29 CO 0.31 0.55 0.06 -0.76 0.00 0.00 0.00 174.94 175.11 1pnj s LEU 30 N -0.86 3.76 0.06 2.97 1.02 -0.72 -4.28 118.68 120.63 1pnj s LEU 30 Ca 0.23 0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.46 1pnj s LEU 30 Cb -0.16 -2.35 -0.03 0.00 0.02 0.00 0.00 46.19 43.67 1pnj s LEU 30 CO 0.12 0.21 -0.19 -0.89 0.02 0.00 0.00 176.35 175.62 1pnj s THR 31 N -1.30 1.50 0.00 5.49 2.01 -1.05 -1.92 115.64 120.37 1pnj s THR 31 Ca 0.26 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1pnj s THR 31 Cb -0.12 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.04 1pnj s THR 31 CO 0.18 0.03 0.00 0.52 -0.69 0.00 0.00 174.62 174.66 1pnj n VAL 32 N 1.54 0.00 -2.02 3.82 0.31 -0.74 -2.92 118.33 118.33 1pnj n VAL 32 Ca -0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.87 1pnj n VAL 32 Cb 0.54 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.65 1pnj n VAL 32 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1pnj n ASN 33 N 0.00 0.33 0.00 4.52 2.85 -1.26 -4.45 115.26 117.25 1pnj n ASN 33 Ca 0.00 -1.59 0.00 0.00 -0.11 0.00 0.00 54.58 52.88 1pnj n ASN 33 Cb 0.00 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 40.11 1pnj n ASN 33 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1pnj n LYS 34 N -3.54 0.95 -2.70 1.20 2.85 -1.26 -2.77 118.16 112.89 1pnj n LYS 34 Ca 0.16 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.39 1pnj n LYS 34 Cb 0.56 -1.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.05 1pnj n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pnj n GLY 35 N 3.36 1.87 2.50 2.58 0.00 -1.26 -4.90 105.19 109.34 1pnj n GLY 35 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1pnj n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pnj n SER 36 N -1.17 -1.51 0.21 1.61 3.41 -1.26 -4.96 113.62 109.95 1pnj n SER 36 Ca -0.10 -3.04 0.17 0.00 -0.26 0.00 0.00 58.87 55.64 1pnj n SER 36 Cb 0.86 0.73 0.73 0.00 -0.26 0.00 0.00 64.21 66.26 1pnj n SER 36 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pnj h LEU 37 N 3.97 0.00 0.00 1.04 3.38 -1.92 -1.06 115.31 120.72 1pnj h LEU 37 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pnj h LEU 37 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1pnj h LEU 37 CO 0.39 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.44 1pnj n VAL 38 N -3.22 1.82 -0.02 1.22 0.31 -1.26 -1.73 118.33 115.45 1pnj n VAL 38 Ca 0.03 0.46 0.24 0.00 -0.01 0.00 0.00 64.34 65.05 1pnj n VAL 38 Cb 0.56 -1.42 0.65 0.00 -0.91 0.00 0.00 33.84 32.72 1pnj n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pnj h ALA 39 N 2.07 2.42 -0.00 3.52 0.00 -1.56 -1.69 119.26 124.01 1pnj h ALA 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pnj h ALA 39 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pnj h ALA 39 CO 0.00 -1.04 -0.07 1.28 0.00 0.00 0.00 179.25 179.42 1pnj n LEU 40 N -3.56 0.38 -0.52 0.00 4.77 -0.71 -4.98 117.00 112.39 1pnj n LEU 40 Ca 0.13 -0.63 -0.05 0.00 -0.03 0.00 0.00 56.01 55.43 1pnj n LEU 40 Cb 0.94 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.02 1pnj n LEU 40 CO 0.26 0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 176.96 1pnj n GLY 41 N 0.81 0.44 3.89 -0.72 0.00 -0.64 -5.04 105.19 103.93 1pnj n GLY 41 Ca 0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1pnj n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pnj s PHE 42 N -2.24 3.46 -0.12 1.61 0.40 -1.22 -4.98 117.98 114.89 1pnj s PHE 42 Ca 0.00 0.74 0.15 0.00 -0.60 0.00 0.00 56.93 57.22 1pnj s PHE 42 Cb 0.00 -2.17 0.32 0.00 0.51 0.00 0.00 43.02 41.68 1pnj s PHE 42 CO 0.00 0.19 1.19 0.45 0.70 0.00 0.00 175.22 177.74 1pnj n SER 43 N -0.69 0.06 -0.11 1.36 2.88 -1.26 -4.28 113.62 111.59 1pnj n SER 43 Ca -0.01 -2.05 -0.17 0.00 -1.33 0.00 0.00 58.87 55.31 1pnj n SER 43 Cb 0.53 0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 1pnj n SER 43 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pnj n ASP 44 N -0.29 1.93 0.00 -3.46 8.00 -1.26 -5.03 116.55 116.44 1pnj n ASP 44 Ca -0.08 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1pnj n ASP 44 Cb 0.89 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1pnj n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pnj n GLY 45 N 1.40 0.90 0.00 0.44 0.00 -1.26 -5.03 105.19 101.64 1pnj n GLY 45 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1pnj n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pnj n GLN 46 N -2.18 0.00 -3.62 1.61 7.27 -1.26 -4.94 117.38 114.25 1pnj n GLN 46 Ca 0.00 0.39 -0.27 0.00 0.07 0.00 0.00 57.00 57.19 1pnj n GLN 46 Cb 0.00 -1.22 0.03 0.00 2.41 0.00 0.00 30.24 31.47 1pnj n GLN 46 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1pnj n GLU 47 N -1.67 -1.26 0.00 3.69 4.07 -1.26 -4.76 120.64 119.46 1pnj n GLU 47 Ca 0.00 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 1pnj n GLU 47 Cb 0.00 -4.06 0.00 0.00 -0.06 0.00 0.00 31.44 27.32 1pnj n GLU 47 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pnj n ALA 48 N -3.69 0.00 -3.90 4.31 0.00 -1.26 -5.05 120.51 110.92 1pnj n ALA 48 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 1pnj n ALA 48 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 1pnj n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pnj s LYS 49 N -0.04 2.42 0.63 0.00 3.01 -1.26 -4.79 119.74 119.70 1pnj s LYS 49 Ca 0.00 -3.30 0.33 0.00 -1.01 0.00 0.00 55.97 51.99 1pnj s LYS 49 Cb 0.00 -3.39 1.83 0.00 -1.01 0.00 0.00 37.83 35.26 1pnj s LYS 49 CO 0.00 -1.28 2.10 -1.35 0.51 0.00 0.00 175.35 175.33 1pnj h PRO 50 N 5.46 0.00 -0.93 -1.68 0.11 -1.91 -2.91 132.00 130.13 1pnj h PRO 50 Ca 0.14 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.44 1pnj h PRO 50 Cb 0.76 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.76 1pnj h PRO 50 CO 0.71 0.00 0.50 0.93 -0.21 0.00 0.00 178.00 179.93 1pnj h GLU 51 N 0.00 0.57 0.00 1.05 3.07 -1.91 -1.89 114.58 115.47 1pnj h GLU 51 Ca 0.05 -0.03 -0.30 0.00 -0.50 0.00 0.00 59.36 58.57 1pnj h GLU 51 Cb 0.46 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 1pnj h GLU 51 CO -0.00 0.38 -1.91 -0.85 -1.40 0.00 0.00 179.01 175.23 1pnj n GLU 52 N -4.89 0.65 -1.99 2.33 0.28 -1.10 -4.93 120.64 110.98 1pnj n GLU 52 Ca 0.22 0.18 -0.38 0.00 -0.16 0.00 0.00 57.16 57.02 1pnj n GLU 52 Cb 0.59 -1.70 0.02 0.00 1.43 0.00 0.00 31.44 31.78 1pnj n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1pnj s ILE 53 N -2.62 2.53 0.00 3.84 1.01 -0.71 -5.01 121.20 120.25 1pnj s ILE 53 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1pnj s ILE 53 Cb 0.08 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1pnj s ILE 53 CO 0.83 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.37 1pnj n GLY 54 N 0.60 0.96 3.71 6.18 0.00 -1.26 -4.37 105.19 111.01 1pnj n GLY 54 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1pnj n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pnj s TRP 55 N 0.30 3.40 -0.11 1.61 0.52 -1.26 -1.31 118.94 122.09 1pnj s TRP 55 Ca 0.00 0.41 -0.03 0.00 0.02 0.00 0.00 56.10 56.50 1pnj s TRP 55 Cb 0.00 -2.27 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1pnj s TRP 55 CO 0.00 0.20 -0.00 -0.51 0.02 0.00 0.00 176.95 176.66 1pnj s LEU 56 N 0.61 3.51 -0.21 2.99 1.02 -0.54 -4.96 118.68 121.10 1pnj s LEU 56 Ca 0.11 0.06 -0.07 0.00 0.02 0.00 0.00 54.13 54.25 1pnj s LEU 56 Cb -0.12 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 1pnj s LEU 56 CO 0.02 0.30 0.06 0.21 0.02 0.00 0.00 176.35 176.96 1pnj s ASN 57 N -0.42 5.38 0.00 2.29 3.04 -1.26 -1.37 114.94 122.60 1pnj s ASN 57 Ca 0.08 -0.05 0.00 0.00 0.04 0.00 0.00 52.86 52.92 1pnj s ASN 57 Cb -0.12 -1.94 0.00 0.00 -1.54 0.00 0.00 41.25 37.65 1pnj s ASN 57 CO 0.02 0.08 0.00 0.61 -3.04 0.00 0.00 177.10 174.77 1pnj n GLY 58 N 4.14 2.96 3.00 1.21 0.00 -0.96 -4.89 105.19 110.66 1pnj n GLY 58 Ca -0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1pnj n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pnj s TYR 59 N -4.92 0.47 -0.52 1.61 1.13 -1.15 -2.12 117.35 111.85 1pnj s TYR 59 Ca 0.00 -0.37 -0.15 0.00 -1.41 0.00 0.00 57.07 55.14 1pnj s TYR 59 Cb 0.00 -0.29 0.12 0.00 -1.10 0.00 0.00 41.96 40.69 1pnj s TYR 59 CO 0.00 -0.08 0.47 -0.80 -2.51 0.00 0.00 175.55 172.63 1pnj s ASN 60 N -1.09 6.11 0.30 -0.18 -0.87 -0.22 -2.54 114.94 116.44 1pnj s ASN 60 Ca -0.08 -1.78 0.03 0.00 -1.57 0.00 0.00 52.86 49.47 1pnj s ASN 60 Cb -0.07 -2.18 0.62 0.00 -0.02 0.00 0.00 41.25 39.60 1pnj s ASN 60 CO -0.00 -0.82 1.84 -0.33 -2.57 0.00 0.00 177.10 175.22 1pnj h GLU 61 N 8.81 0.89 -0.88 -0.60 5.08 -1.83 0.37 114.58 126.43 1pnj h GLU 61 Ca -0.29 -0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1pnj h GLU 61 Cb 1.10 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.05 1pnj h GLU 61 CO 1.00 0.59 0.47 1.15 -1.00 0.00 0.00 179.01 181.23 1pnj h THR 62 N 0.92 0.74 -0.05 1.13 2.02 -1.92 -1.85 112.91 113.90 1pnj h THR 62 Ca 0.49 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1pnj h THR 62 Cb 0.55 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1pnj h THR 62 CO -0.25 0.12 0.00 0.35 0.37 0.00 0.00 175.52 176.11 1pnj n THR 63 N -4.84 0.05 -1.78 3.16 -2.24 -0.68 -4.96 114.28 102.99 1pnj n THR 63 Ca 0.18 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1pnj n THR 63 Cb 0.45 1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1pnj n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pnj n GLY 64 N 0.99 0.55 3.96 3.38 0.00 0.12 -4.95 105.19 109.24 1pnj n GLY 64 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1pnj n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pnj s GLU 65 N -3.82 2.86 -0.13 1.61 2.56 -0.84 -4.89 118.70 116.04 1pnj s GLU 65 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.97 54.38 1pnj s GLU 65 Cb 0.00 -2.50 0.06 0.00 2.00 0.00 0.00 34.13 33.69 1pnj s GLU 65 CO 0.00 -0.48 0.30 0.50 -0.56 0.00 0.00 175.26 175.02 1pnj s ARG 66 N -4.68 0.23 0.00 4.30 3.52 -1.26 -1.05 118.95 120.00 1pnj s ARG 66 Ca 0.52 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 1pnj s ARG 66 Cb -0.10 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1pnj s ARG 66 CO 0.39 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.08 1pnj n GLY 67 N 4.73 1.21 3.78 8.12 0.00 -0.90 -4.89 105.19 117.24 1pnj n GLY 67 Ca -0.17 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1pnj n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pnj s ASP 68 N 1.15 5.47 -0.05 1.61 1.01 -1.21 -2.26 116.67 122.40 1pnj s ASP 68 Ca 0.00 -0.12 -0.17 0.00 0.71 0.00 0.00 52.55 52.97 1pnj s ASP 68 Cb 0.00 -1.42 0.03 0.00 1.01 0.00 0.00 42.92 42.54 1pnj s ASP 68 CO 0.00 0.09 0.38 0.72 0.21 0.00 0.00 175.17 176.57 1pnj s PHE 69 N -1.66 -0.29 0.76 4.23 -0.71 -0.47 -4.16 117.98 115.67 1pnj s PHE 69 Ca 0.30 0.54 -0.13 0.00 -1.04 0.00 0.00 56.93 56.60 1pnj s PHE 69 Cb -0.10 0.15 0.06 0.00 -1.21 0.00 0.00 43.02 41.91 1pnj s PHE 69 CO 0.23 -0.38 1.16 -1.25 -1.34 0.00 0.00 175.22 173.64 1pnj s PRO 70 N -0.99 2.03 -0.67 1.99 0.04 -1.26 -1.47 135.00 134.67 1pnj s PRO 70 Ca -0.10 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1pnj s PRO 70 Cb -0.04 -1.84 0.36 0.00 0.04 0.00 0.00 34.50 33.02 1pnj s PRO 70 CO 0.04 -1.88 2.10 0.41 0.04 0.00 0.00 177.00 177.71 1pnj n GLY 71 N -0.01 5.43 0.00 0.56 0.00 -0.43 -4.10 105.19 106.64 1pnj n GLY 71 Ca 0.12 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1pnj n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pnj n THR 72 N -0.50 0.00 0.85 2.61 5.66 -1.26 -3.57 114.28 118.07 1pnj n THR 72 Ca 0.55 -0.04 0.12 0.00 -3.05 0.00 0.00 64.05 61.63 1pnj n THR 72 Cb 0.50 0.37 0.12 0.00 -1.55 0.00 0.00 70.33 69.77 1pnj n THR 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1pnj n TYR 73 N -0.38 0.08 -4.71 1.09 4.01 -1.26 -4.97 117.16 111.02 1pnj n TYR 73 Ca 0.00 -0.04 -0.31 0.00 -0.16 0.00 0.00 57.90 57.39 1pnj n TYR 73 Cb 0.00 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1pnj n TYR 73 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pnj n VAL 74 N 1.33 0.00 -3.39 -0.72 0.24 -1.26 -0.94 118.33 113.59 1pnj n VAL 74 Ca 0.14 -2.24 -0.13 0.00 -2.04 0.00 0.00 64.34 60.07 1pnj n VAL 74 Cb 0.58 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 1pnj n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1pnj s GLU 75 N -3.72 0.32 -0.03 7.34 2.12 0.38 -4.77 118.70 120.34 1pnj s GLU 75 Ca 0.00 0.26 -0.39 0.00 0.36 0.00 0.00 54.97 55.20 1pnj s GLU 75 Cb -0.00 -0.66 -0.18 0.00 0.26 0.00 0.00 34.13 33.55 1pnj s GLU 75 CO 0.00 -0.78 1.26 0.98 -0.54 0.00 0.00 175.26 176.18 1pnj n TYR 76 N 5.34 1.16 0.07 5.30 9.36 -1.26 -0.98 117.16 136.15 1pnj n TYR 76 Ca -0.03 0.87 0.00 0.00 3.32 0.00 0.00 57.90 62.06 1pnj n TYR 76 Cb 0.49 -2.22 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 1pnj n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1pnj n ILE 77 N 2.31 0.70 -4.27 2.97 -5.35 -1.05 -4.87 119.36 109.80 1pnj n ILE 77 Ca 0.21 0.23 -0.18 0.00 -0.27 0.00 0.00 62.75 62.74 1pnj n ILE 77 Cb 0.11 -1.24 -0.11 0.00 -1.74 0.00 0.00 39.64 36.66 1pnj n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pnj s GLY 78 N -4.44 1.17 0.04 3.28 0.00 -1.20 -5.02 107.32 101.16 1pnj s GLY 78 Ca 0.00 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.16 1pnj s GLY 78 CO 0.00 -1.48 0.35 1.09 0.00 0.00 0.00 173.10 173.06 1pnj s ARG 79 N -3.01 0.84 1.35 2.90 1.04 -1.26 -1.66 118.95 119.16 1pnj s ARG 79 Ca 0.13 -0.42 -0.21 0.00 -1.04 0.00 0.00 55.73 54.20 1pnj s ARG 79 Cb -0.03 0.37 0.34 0.00 -2.04 0.00 0.00 34.95 33.59 1pnj s ARG 79 CO 0.04 -0.28 0.97 0.15 -0.04 0.00 0.00 175.30 176.14 1pnj s LYS 80 N -2.41 -2.39 -0.03 3.89 -0.14 -1.24 -4.91 119.74 112.50 1pnj s LYS 80 Ca -0.06 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 1pnj s LYS 80 Cb -0.01 -1.43 0.06 0.00 -1.68 0.00 0.00 37.83 34.76 1pnj s LYS 80 CO -0.02 -4.54 1.00 1.63 -0.76 0.00 0.00 175.35 172.65 1pnj n LYS 81 N -5.40 1.14 0.00 1.68 5.02 -1.26 -3.91 118.16 115.43 1pnj n LYS 81 Ca 0.11 -0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1pnj n LYS 81 Cb 0.59 -1.18 0.35 0.00 -0.02 0.00 0.00 35.03 34.78 1pnj n LYS 81 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1pnj n ILE 82 N 0.31 0.00 -3.27 -0.18 3.06 -1.26 -4.44 119.36 113.58 1pnj n ILE 82 Ca 0.04 -0.13 -0.25 0.00 -2.50 0.00 0.00 62.75 59.91 1pnj n ILE 82 Cb 0.55 0.44 -0.08 0.00 0.54 0.00 0.00 39.64 41.10 1pnj n ILE 82 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1pnj n SER 83 N -0.64 0.33 0.00 9.51 2.88 -1.25 -5.15 113.62 119.29 1pnj n SER 83 Ca 0.12 -2.68 0.04 0.00 -1.33 0.00 0.00 58.87 55.01 1pnj n SER 83 Cb 0.35 -0.62 0.21 0.00 -0.75 0.00 0.00 64.21 63.40 1pnj n SER 83 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00