#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwj n GLY 2 N 0.00 2.67 0.96 3.14 0.00 -1.26 -2.43 105.19 108.27 1rwj n GLY 2 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1rwj n GLY 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rwj n MET 3 N 13.24 2.30 -2.30 1.61 0.00 -1.26 -4.94 117.12 125.77 1rwj n MET 3 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 57.70 55.36 1rwj n MET 3 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.72 1rwj n MET 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1rwj s THR 4 N -1.83 3.81 -0.02 2.03 2.01 -1.02 -4.97 115.64 115.65 1rwj s THR 4 Ca 0.33 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 1rwj s THR 4 Cb 0.21 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1rwj s THR 4 CO 0.31 0.03 1.38 -2.16 -0.69 0.00 0.00 174.62 173.49 1rwj s PRO 5 N 1.89 4.28 0.39 4.92 0.04 -1.26 -4.35 135.00 140.91 1rwj s PRO 5 Ca 0.61 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.32 1rwj s PRO 5 Cb -0.31 -3.60 -0.09 0.00 0.04 0.00 0.00 34.50 30.55 1rwj s PRO 5 CO 0.27 -0.58 1.23 -2.14 0.04 0.00 0.00 177.00 175.81 1rwj s PRO 6 N 2.52 4.08 0.29 0.56 0.02 -1.26 -4.89 135.00 136.31 1rwj s PRO 6 Ca 0.63 1.99 0.03 0.00 0.02 0.00 0.00 61.00 63.67 1rwj s PRO 6 Cb -0.30 -2.77 0.65 0.00 0.02 0.00 0.00 34.50 32.10 1rwj s PRO 6 CO 0.25 -0.35 1.79 0.87 -0.33 0.00 0.00 177.00 179.24 1rwj h LYS 7 N 2.78 0.77 -3.74 5.54 1.57 -1.93 -3.36 116.57 118.19 1rwj h LYS 7 Ca -0.49 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 57.97 1rwj h LYS 7 Cb 1.24 -0.17 -0.31 0.00 0.08 0.00 0.00 32.23 33.07 1rwj h LYS 7 CO 0.63 0.51 -0.73 0.99 -0.57 0.00 0.00 179.45 180.28 1rwj s THR 8 N -5.91 0.06 -0.13 -0.16 2.01 -1.26 -1.43 115.64 108.83 1rwj s THR 8 Ca -0.12 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 1rwj s THR 8 Cb 0.24 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.62 1rwj s THR 8 CO 0.80 0.06 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.99 1rwj s VAL 9 N 0.42 3.22 0.08 3.82 1.01 0.28 -4.95 120.40 124.28 1rwj s VAL 9 Ca -0.04 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1rwj s VAL 9 Cb -0.06 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1rwj s VAL 9 CO -0.01 0.53 0.05 0.20 0.00 0.00 0.00 175.10 175.86 1rwj s ASN 10 N 0.23 5.33 -0.21 3.32 0.01 -1.26 -0.79 114.94 121.57 1rwj s ASN 10 Ca -0.07 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1rwj s ASN 10 Cb -0.15 -1.37 0.05 0.00 0.41 0.00 0.00 41.25 40.18 1rwj s ASN 10 CO 0.05 0.18 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.36 1rwj s PHE 11 N -1.35 2.47 0.24 2.20 0.40 -0.50 -4.96 117.98 116.49 1rwj s PHE 11 Ca 0.28 -1.66 -0.27 0.00 -0.60 0.00 0.00 56.93 54.67 1rwj s PHE 11 Cb -0.12 -1.65 -0.09 0.00 0.51 0.00 0.00 43.02 41.67 1rwj s PHE 11 CO 0.20 -0.76 0.89 0.15 0.70 0.00 0.00 175.22 176.40 1rwj s LYS 12 N 1.38 4.68 -0.03 0.44 -0.14 -1.26 -1.76 119.74 123.05 1rwj s LYS 12 Ca -0.02 1.33 -0.29 0.00 -1.36 0.00 0.00 55.97 55.63 1rwj s LYS 12 Cb -0.17 -3.13 0.10 0.00 -1.68 0.00 0.00 37.83 32.95 1rwj s LYS 12 CO -0.08 0.46 0.83 0.00 -0.76 0.00 0.00 175.35 175.80 1rwj s MET 13 N -1.44 0.89 0.16 1.68 0.23 -1.26 -4.99 119.30 114.56 1rwj s MET 13 Ca 0.42 -0.10 -0.15 0.00 -1.03 0.00 0.00 55.69 54.83 1rwj s MET 13 Cb -0.23 0.41 -0.07 0.00 -1.53 0.00 0.00 34.83 33.41 1rwj s MET 13 CO 0.28 -0.34 0.57 -1.59 -2.03 0.00 0.00 175.02 171.91 1rwj s LYS 14 N -2.32 4.02 0.00 3.16 -2.85 -1.26 -4.58 119.74 115.91 1rwj s LYS 14 Ca -0.01 0.54 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 1rwj s LYS 14 Cb -0.01 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1rwj s LYS 14 CO -0.03 0.47 0.00 0.41 0.10 0.00 0.00 175.35 176.30 1rwj n GLY 15 N 0.80 2.02 3.89 0.59 0.00 -1.26 -4.97 105.19 106.26 1rwj n GLY 15 Ca -0.05 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1rwj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwj s VAL 16 N 0.00 4.81 0.44 1.61 0.11 -1.26 -5.02 120.40 121.08 1rwj s VAL 16 Ca 0.00 0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 59.32 1rwj s VAL 16 Cb 0.00 -3.85 -0.08 0.00 -1.53 0.00 0.00 36.38 30.92 1rwj s VAL 16 CO 0.00 -0.91 1.34 0.00 -3.33 0.00 0.00 175.10 172.19 1rwj s ALA 17 N -2.85 3.19 0.61 1.54 0.00 -1.26 -4.76 121.76 118.22 1rwj s ALA 17 Ca 0.51 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 1rwj s ALA 17 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1rwj s ALA 17 CO 0.46 -0.98 1.04 -0.25 0.00 0.00 0.00 175.76 176.02 1rwj n ASP 18 N -0.14 1.06 -4.90 0.00 8.00 -1.26 -4.76 116.55 114.55 1rwj n ASP 18 Ca 0.05 0.81 -0.28 0.00 0.71 0.00 0.00 54.79 56.08 1rwj n ASP 18 Cb 0.43 -1.43 0.01 0.00 -0.02 0.00 0.00 41.12 40.11 1rwj n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rwj s ALA 19 N -1.49 3.31 -0.03 2.24 0.00 -0.72 -4.10 121.76 120.96 1rwj s ALA 19 Ca 0.77 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1rwj s ALA 19 Cb -0.41 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1rwj s ALA 19 CO 0.45 -0.49 0.08 0.00 0.00 0.00 0.00 175.76 175.81 1rwj s ALA 20 N -2.88 -0.17 -0.09 0.00 0.00 0.42 -1.41 121.76 117.63 1rwj s ALA 20 Ca 0.50 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1rwj s ALA 20 Cb -0.10 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1rwj s ALA 20 CO 0.47 -0.07 -0.19 0.12 0.00 0.00 0.00 175.76 176.09 1rwj s PHE 21 N 0.40 2.13 -0.33 0.00 5.36 0.03 -4.81 117.98 120.76 1rwj s PHE 21 Ca -0.03 -0.86 -0.11 0.00 -0.96 0.00 0.00 56.93 54.98 1rwj s PHE 21 Cb -0.04 -1.46 -0.01 0.00 -0.34 0.00 0.00 43.02 41.17 1rwj s PHE 21 CO -0.01 -0.37 0.19 0.45 -1.46 0.00 0.00 175.22 174.01 1rwj s SER 22 N 0.48 5.73 0.15 6.13 0.15 -1.26 -0.55 113.70 124.53 1rwj s SER 22 Ca -0.17 -0.55 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 1rwj s SER 22 Cb -0.17 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1rwj s SER 22 CO 0.07 -0.23 1.51 0.45 1.20 0.00 0.00 173.24 176.24 1rwj h HIS 23 N 8.41 1.14 -0.56 3.44 3.86 -1.39 -2.67 115.15 127.38 1rwj h HIS 23 Ca -0.31 -0.31 0.11 0.00 -1.16 0.00 0.00 60.37 58.70 1rwj h HIS 23 Cb 1.14 -0.25 -0.08 0.00 1.06 0.00 0.00 27.41 29.28 1rwj h HIS 23 CO 0.64 1.14 0.08 1.49 0.86 0.00 0.00 177.93 182.14 1rwj h GLU 24 N 0.82 0.20 0.34 2.45 4.81 -1.83 0.31 114.58 121.68 1rwj h GLU 24 Ca 0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1rwj h GLU 24 Cb 0.88 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1rwj h GLU 24 CO 0.08 0.13 -0.16 0.35 -0.73 0.00 0.00 179.01 178.68 1rwj h PHE 25 N 0.21 -0.42 0.00 0.92 3.57 -1.86 -3.28 116.94 116.08 1rwj h PHE 25 Ca 0.29 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1rwj h PHE 25 Cb 0.43 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1rwj h PHE 25 CO -0.27 -0.09 -0.19 0.45 -2.23 0.00 0.00 178.31 175.98 1rwj h HIS 26 N -0.80 0.00 0.00 0.41 3.86 -1.17 -2.06 115.15 115.39 1rwj h HIS 26 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1rwj h HIS 26 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1rwj h HIS 26 CO 0.02 0.19 0.00 1.28 0.86 0.00 0.00 177.93 180.28 1rwj n LEU 27 N -4.19 0.00 0.15 2.43 4.77 0.11 -1.18 117.00 119.08 1rwj n LEU 27 Ca -0.02 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1rwj n LEU 27 Cb 0.26 -0.37 0.38 0.00 -2.33 0.00 0.00 43.42 41.36 1rwj n LEU 27 CO 0.36 -0.21 0.87 1.23 -1.33 0.00 0.00 177.39 178.31 1rwj h GLY 28 N 2.16 0.00 0.00 -0.72 0.00 -1.46 -3.36 103.07 99.68 1rwj h GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rwj h GLY 28 CO 0.00 0.00 -0.73 1.03 0.00 0.00 0.00 176.54 176.84 1rwj n MET 29 N -2.53 2.15 -4.33 4.80 2.81 -0.58 -5.10 117.12 114.34 1rwj n MET 29 Ca 0.04 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.68 1rwj n MET 29 Cb 0.42 -0.86 -0.12 0.00 -0.71 0.00 0.00 33.22 31.94 1rwj n MET 29 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1rwj s TYR 30 N -1.56 1.99 0.40 2.03 1.51 -0.33 -5.14 117.35 116.26 1rwj s TYR 30 Ca 0.00 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1rwj s TYR 30 Cb 0.00 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1rwj s TYR 30 CO 0.00 0.28 0.63 0.15 -1.11 0.00 0.00 175.55 175.51 1rwj s LYS 31 N -2.11 3.39 0.21 -0.62 1.02 -1.26 -4.46 119.74 115.91 1rwj s LYS 31 Ca 0.11 -0.25 -0.13 0.00 0.02 0.00 0.00 55.97 55.72 1rwj s LYS 31 Cb -0.09 -2.57 0.24 0.00 -0.52 0.00 0.00 37.83 34.89 1rwj s LYS 31 CO 0.05 -0.04 1.64 0.00 -0.92 0.00 0.00 175.35 176.09 1rwj n ASN 33 N -5.39 0.00 0.06 0.00 6.94 -1.26 -0.71 115.26 114.91 1rwj n ASN 33 Ca 0.07 0.03 0.13 0.00 -0.02 0.00 0.00 54.58 54.79 1rwj n ASN 33 Cb 0.33 -0.23 0.46 0.00 -2.36 0.00 0.00 39.78 37.98 1rwj n ASN 33 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1rwj n GLU 34 N -1.23 0.16 0.00 -3.83 1.02 -0.59 -4.24 120.64 111.93 1rwj n GLU 34 Ca 0.06 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1rwj n GLU 34 Cb 0.08 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1rwj n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rwj s HIS 36 N -1.66 3.18 -2.76 0.00 3.76 0.12 -0.46 115.29 117.47 1rwj s HIS 36 Ca 0.00 -0.03 0.23 0.00 -0.15 0.00 0.00 55.06 55.11 1rwj s HIS 36 Cb 0.00 -2.02 0.25 0.00 1.11 0.00 0.00 32.58 31.91 1rwj s HIS 36 CO 0.00 0.12 1.27 0.25 -0.85 0.00 0.00 174.74 175.54 1rwj n THR 37 N 3.42 0.14 -0.29 1.30 -2.24 -1.26 -3.98 114.28 111.38 1rwj n THR 37 Ca -0.17 -0.57 0.06 0.00 -2.27 0.00 0.00 64.05 61.10 1rwj n THR 37 Cb 0.52 1.35 0.20 0.00 -2.10 0.00 0.00 70.33 70.31 1rwj n THR 37 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rwj h LYS 38 N 4.50 0.62 0.00 -0.78 3.64 -1.87 -3.29 116.57 119.40 1rwj h LYS 38 Ca 0.00 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 1rwj h LYS 38 Cb 0.97 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 1rwj h LYS 38 CO 0.00 0.41 -2.21 1.28 -2.27 0.00 0.00 179.45 176.66 1rwj n LEU 39 N -4.85 2.65 -4.02 5.20 4.77 0.39 -5.04 117.00 116.10 1rwj n LEU 39 Ca 0.16 -0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1rwj n LEU 39 Cb 0.39 -0.62 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1rwj n LEU 39 CO 0.22 0.81 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.36 1rwj s PHE 40 N -2.43 0.45 0.67 -1.77 0.40 -0.10 -4.63 117.98 110.58 1rwj s PHE 40 Ca -0.27 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.39 1rwj s PHE 40 Cb 0.07 -0.29 -0.01 0.00 0.51 0.00 0.00 43.02 43.30 1rwj s PHE 40 CO 0.52 -0.16 1.07 0.00 0.70 0.00 0.00 175.22 177.34 1rwj s ALA 41 N -1.66 2.93 -0.12 5.36 0.00 -1.26 -4.22 121.76 122.79 1rwj s ALA 41 Ca -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1rwj s ALA 41 Cb -0.08 -3.06 0.14 0.00 0.00 0.00 0.00 23.12 20.12 1rwj s ALA 41 CO -0.01 -0.99 1.45 0.66 0.00 0.00 0.00 175.76 176.88 1rwj n TYR 42 N -2.93 0.73 -3.68 0.00 4.02 -1.26 -4.65 117.16 109.40 1rwj n TYR 42 Ca 0.07 -1.02 -0.12 0.00 -0.01 0.00 0.00 57.90 56.82 1rwj n TYR 42 Cb 0.56 -0.51 -0.12 0.00 -0.02 0.00 0.00 39.34 39.24 1rwj n TYR 42 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1rwj s LYS 43 N -0.81 0.20 0.33 -0.72 2.47 -1.26 -4.96 119.74 114.99 1rwj s LYS 43 Ca 0.14 0.75 -0.28 0.00 -1.56 0.00 0.00 55.97 55.01 1rwj s LYS 43 Cb 0.11 -0.00 -0.10 0.00 -1.46 0.00 0.00 37.83 36.39 1rwj s LYS 43 CO 0.02 -0.25 1.24 0.00 0.16 0.00 0.00 175.35 176.52 1rwj s ALA 44 N 2.13 3.41 -0.15 3.13 0.00 -1.26 -3.22 121.76 125.81 1rwj s ALA 44 Ca -0.02 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1rwj s ALA 44 Cb -0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1rwj s ALA 44 CO -0.09 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1rwj n GLY 45 N 0.85 0.35 0.28 0.00 0.00 -1.26 -4.89 105.19 100.52 1rwj n GLY 45 Ca 0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1rwj n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwj h ALA 46 N 0.00 0.68 -3.26 4.61 0.00 -1.95 -3.42 119.26 115.91 1rwj h ALA 46 Ca -0.03 -0.40 -0.44 0.00 0.00 0.00 0.00 54.91 54.04 1rwj h ALA 46 Cb 0.58 -0.16 -0.38 0.00 0.00 0.00 0.00 17.79 17.83 1rwj h ALA 46 CO 0.04 0.68 -0.77 0.21 0.00 0.00 0.00 179.25 179.41 1rwj s LYS 47 N -4.62 0.66 -0.15 0.00 2.47 -1.26 -5.14 119.74 111.71 1rwj s LYS 47 Ca -0.11 0.08 -0.13 0.00 -1.56 0.00 0.00 55.97 54.25 1rwj s LYS 47 Cb 0.12 -0.99 -0.05 0.00 -1.46 0.00 0.00 37.83 35.46 1rwj s LYS 47 CO 0.87 -0.29 0.27 1.03 0.16 0.00 0.00 175.35 177.40 1rwj s ARG 48 N 1.89 4.16 0.23 4.03 1.81 -1.26 -5.03 118.95 124.78 1rwj s ARG 48 Ca 0.04 0.07 0.11 0.00 -1.72 0.00 0.00 55.73 54.23 1rwj s ARG 48 Cb -0.12 -3.39 -0.05 0.00 -0.45 0.00 0.00 34.95 30.94 1rwj s ARG 48 CO -0.05 0.32 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.68 1rwj s PHE 49 N 0.21 2.45 0.47 -0.53 0.40 -1.26 -5.15 117.98 114.57 1rwj s PHE 49 Ca 0.16 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1rwj s PHE 49 Cb -0.13 -1.14 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1rwj s PHE 49 CO 0.04 0.60 0.50 0.95 0.70 0.00 0.00 175.22 178.01 1rwj s THR 50 N -2.08 2.47 0.35 0.64 -4.23 -1.26 -4.98 115.64 106.55 1rwj s THR 50 Ca 0.27 -1.22 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1rwj s THR 50 Cb -0.07 -2.70 0.14 0.00 1.34 0.00 0.00 72.50 71.21 1rwj s THR 50 CO 0.15 0.00 1.86 0.24 -0.54 0.00 0.00 174.62 176.33 1rwj h MET 51 N 0.73 0.36 -0.67 3.99 2.86 -1.99 -1.81 114.93 118.40 1rwj h MET 51 Ca -0.38 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.10 1rwj h MET 51 Cb 1.28 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1rwj h MET 51 CO 0.51 0.49 0.16 0.00 1.06 0.00 0.00 176.91 179.13 1rwj h ALA 52 N 1.54 1.01 -0.78 6.32 0.00 -1.99 -1.41 119.26 123.94 1rwj h ALA 52 Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1rwj h ALA 52 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rwj h ALA 52 CO 0.02 0.65 0.30 -0.44 0.00 0.00 0.00 179.25 179.77 1rwj h ASP 53 N 1.02 1.10 -0.36 0.00 3.32 -1.73 -2.15 116.42 117.61 1rwj h ASP 53 Ca 0.21 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1rwj h ASP 53 Cb 0.36 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1rwj h ASP 53 CO 0.00 0.98 0.09 0.24 -1.72 0.00 0.00 179.24 178.84 1rwj h MET 54 N 1.15 0.65 0.00 3.56 2.86 -0.81 -0.56 114.93 121.78 1rwj h MET 54 Ca 0.26 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1rwj h MET 54 Cb 0.24 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1rwj h MET 54 CO -0.02 0.61 -0.08 -0.44 1.06 0.00 0.00 176.91 178.04 1rwj h ASP 55 N 0.63 0.00 -0.48 1.22 3.45 -0.62 -0.65 116.42 119.98 1rwj h ASP 55 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1rwj h ASP 55 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1rwj h ASP 55 CO -0.00 0.08 0.00 0.29 -1.57 0.00 0.00 179.24 178.04 1rwj n LYS 56 N -3.89 2.12 -0.49 3.56 5.02 -0.29 -4.92 118.16 119.27 1rwj n LYS 56 Ca -0.02 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 1rwj n LYS 56 Cb 0.17 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1rwj n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rwj n GLY 57 N 1.25 0.75 3.98 0.72 0.00 -0.25 -5.03 105.19 106.62 1rwj n GLY 57 Ca 0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1rwj n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwj s LYS 58 N -0.55 3.17 3.78 1.61 1.02 -0.76 -3.05 119.74 124.96 1rwj s LYS 58 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1rwj s LYS 58 Cb 0.00 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1rwj s LYS 58 CO 0.00 0.04 0.00 0.45 -0.92 0.00 0.00 175.35 174.92 1rwj n SER 59 N -1.72 0.00 0.03 2.83 2.88 -1.26 -0.94 113.62 115.44 1rwj n SER 59 Ca -0.01 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1rwj n SER 59 Cb 0.58 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.62 1rwj n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rwj n GLY 61 N -1.55 -0.65 0.25 0.00 0.00 -0.12 -0.78 105.19 102.33 1rwj n GLY 61 Ca 0.06 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1rwj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwj h ALA 62 N 2.13 1.34 0.00 4.61 0.00 -1.19 -3.34 119.26 122.81 1rwj h ALA 62 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rwj h ALA 62 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rwj h ALA 62 CO 0.00 0.18 -0.81 0.00 0.00 0.00 0.00 179.25 178.62 1rwj n HIS 64 N -2.19 3.62 -0.00 0.00 8.25 0.04 -1.57 115.22 123.37 1rwj n HIS 64 Ca 0.00 -2.96 0.00 0.00 -0.26 0.00 0.00 57.72 54.50 1rwj n HIS 64 Cb 0.40 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 28.98 1rwj n HIS 64 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1rwj n ASN 65 N 6.19 1.90 0.00 0.41 0.23 -1.20 -1.56 115.26 121.23 1rwj n ASN 65 Ca 0.51 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 1rwj n ASN 65 Cb 0.40 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1rwj n ASN 65 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rwj n GLY 66 N -0.43 1.27 0.45 4.83 0.00 -0.04 -4.74 105.19 106.53 1rwj n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rwj n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rwj n LYS 67 N -2.00 0.00 0.04 1.61 5.02 -1.26 -4.80 118.16 116.76 1rwj n LYS 67 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1rwj n LYS 67 Cb 0.00 -0.75 -0.14 0.00 -0.02 0.00 0.00 35.03 34.12 1rwj n LYS 67 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1rwj h ASP 68 N 0.00 0.31 -5.16 4.39 3.32 -1.88 -3.48 116.42 113.92 1rwj h ASP 68 Ca 0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1rwj h ASP 68 Cb 0.91 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1rwj h ASP 68 CO 0.00 1.43 0.00 0.00 -1.72 0.00 0.00 179.24 178.95 1rwj s ALA 69 N -2.60 -0.59 0.31 3.45 0.00 -0.61 -4.97 121.76 116.75 1rwj s ALA 69 Ca -0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1rwj s ALA 69 Cb 0.07 0.99 -0.13 0.00 0.00 0.00 0.00 23.12 24.05 1rwj s ALA 69 CO 0.83 -0.91 1.36 1.97 0.00 0.00 0.00 175.76 179.01 1rwj n PHE 70 N -0.41 2.31 -1.70 0.00 1.16 -1.26 -0.86 117.46 116.70 1rwj n PHE 70 Ca -0.03 0.48 -0.42 0.00 -1.87 0.00 0.00 57.45 55.62 1rwj n PHE 70 Cb 0.61 -2.45 0.00 0.00 -1.61 0.00 0.00 39.48 36.03 1rwj n PHE 70 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1rwj n SER 71 N 1.33 2.68 -0.01 5.98 2.88 -1.26 -4.10 113.62 121.12 1rwj n SER 71 Ca 0.07 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.92 1rwj n SER 71 Cb 0.35 -1.50 0.87 0.00 -0.75 0.00 0.00 64.21 63.18 1rwj n SER 71 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1rwj n SER 72 N 0.45 0.03 -0.09 -3.46 3.41 -0.60 -3.05 113.62 110.31 1rwj n SER 72 Ca 0.06 -0.71 0.14 0.00 -0.26 0.00 0.00 58.87 58.09 1rwj n SER 72 Cb 0.38 -0.10 0.59 0.00 -0.26 0.00 0.00 64.21 64.83 1rwj n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rwj n ALA 73 N -1.08 2.76 -3.73 7.33 0.00 -1.26 -4.91 120.51 119.63 1rwj n ALA 73 Ca 0.20 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1rwj n ALA 73 Cb 0.16 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1rwj n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rwj n SER 74 N -1.07 -0.80 -3.75 0.00 7.64 -1.17 -4.95 113.62 109.51 1rwj n SER 74 Ca 0.13 -2.32 -0.25 0.00 1.01 0.00 0.00 58.87 57.44 1rwj n SER 74 Cb 0.29 1.56 0.04 0.00 -1.01 0.00 0.00 64.21 65.09 1rwj n SER 74 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1rwj n ASP 75 N -1.88 -3.31 -0.26 6.43 8.00 -1.26 -4.87 116.55 119.40 1rwj n ASP 75 Ca 0.02 -0.75 0.07 0.00 0.71 0.00 0.00 54.79 54.83 1rwj n ASP 75 Cb 0.40 -4.19 0.20 0.00 -0.02 0.00 0.00 41.12 37.51 1rwj n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rwj h GLY 77 N 0.21 0.00 1.25 0.00 0.00 -1.90 0.66 103.07 103.29 1rwj h GLY 77 Ca 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 1rwj h GLY 77 CO -0.59 0.00 0.23 0.50 0.00 0.00 0.00 176.54 176.69 1rwj h LYS 78 N 0.00 0.95 0.00 4.80 1.57 -1.51 -3.00 116.57 119.38 1rwj h LYS 78 Ca 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1rwj h LYS 78 Cb 0.53 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1rwj h LYS 78 CO -0.00 0.79 -1.83 0.00 -0.57 0.00 0.00 179.45 177.84 1rwj n HIS 80 N -2.13 3.46 0.59 0.00 8.25 0.18 -0.43 115.22 125.13 1rwj n HIS 80 Ca -0.03 -3.94 0.05 0.00 -0.26 0.00 0.00 57.72 53.54 1rwj n HIS 80 Cb 0.48 -0.67 0.28 0.00 1.12 0.00 0.00 29.99 31.20 1rwj n HIS 80 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63