#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrj h PRO 2 N 0.00 0.81 -5.94 1.43 0.11 -2.13 -3.46 132.00 122.82 1hrj h PRO 2 Ca 0.00 -0.07 -0.38 0.00 0.11 0.00 0.00 66.00 65.65 1hrj h PRO 2 Cb 0.00 -0.17 0.10 0.00 0.11 0.00 0.00 31.00 31.04 1hrj h PRO 2 CO 0.00 0.58 -0.83 0.98 -0.21 0.00 0.00 178.00 178.52 1hrj n TYR 3 N -4.62 -2.03 -3.79 0.65 9.36 -1.26 -4.97 117.16 110.50 1hrj n TYR 3 Ca 0.04 0.83 -0.30 0.00 3.32 0.00 0.00 57.90 61.80 1hrj n TYR 3 Cb 0.05 -4.44 -0.04 0.00 -0.63 0.00 0.00 39.34 34.29 1hrj n TYR 3 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1hrj s SER 4 N -4.19 6.40 -0.18 2.98 0.01 -1.26 -5.09 113.70 112.38 1hrj s SER 4 Ca 0.09 0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.73 1hrj s SER 4 Cb -0.02 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1hrj s SER 4 CO 0.79 0.06 -0.14 -0.44 0.41 0.00 0.00 173.24 173.92 1hrj s SER 5 N -2.76 3.62 0.00 2.44 0.01 -1.26 -5.07 113.70 110.68 1hrj s SER 5 Ca 0.38 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1hrj s SER 5 Cb -0.12 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1hrj s SER 5 CO 0.27 0.03 0.00 0.47 0.41 0.00 0.00 173.24 174.42 1hrj n ASP 6 N 4.43 0.00 -2.99 2.44 9.92 -1.26 -5.16 116.55 123.93 1hrj n ASP 6 Ca -0.20 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.93 1hrj n ASP 6 Cb 0.51 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 41.10 1hrj n ASP 6 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1hrj n THR 7 N 0.00 0.00 -3.35 -3.53 5.66 -1.26 -5.07 114.28 106.73 1hrj n THR 7 Ca 0.00 -0.22 -0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1hrj n THR 7 Cb 0.00 -1.10 -0.03 0.00 -1.55 0.00 0.00 70.33 67.65 1hrj n THR 7 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1hrj s THR 8 N -1.91 -0.92 -0.84 1.09 2.01 -1.26 -5.07 115.64 108.74 1hrj s THR 8 Ca 0.33 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.14 1hrj s THR 8 Cb -0.03 -0.95 -0.20 0.00 0.01 0.00 0.00 72.50 71.33 1hrj s THR 8 CO 0.25 -0.01 2.24 -2.65 -0.69 0.00 0.00 174.62 173.76 1hrj n PRO 9 N 5.42 0.32 -4.60 4.92 -0.02 -1.26 -4.85 135.00 134.93 1hrj n PRO 9 Ca -0.05 -0.63 -0.23 0.00 -2.02 0.00 0.00 63.50 60.57 1hrj n PRO 9 Cb 0.50 -2.76 -0.16 0.00 -0.02 0.00 0.00 33.50 31.06 1hrj n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hrj n PHE 12 N -2.33 -0.27 -3.46 0.00 7.35 -1.26 -4.68 117.46 112.81 1hrj n PHE 12 Ca 0.02 0.05 -0.38 0.00 -0.76 0.00 0.00 57.45 56.38 1hrj n PHE 12 Cb 0.56 0.06 -0.08 0.00 0.35 0.00 0.00 39.48 40.37 1hrj n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1hrj s ALA 13 N -2.00 3.57 -0.01 3.13 0.00 -1.26 -5.05 121.76 120.14 1hrj s ALA 13 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 1hrj s ALA 13 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1hrj s ALA 13 CO 0.00 -0.24 0.87 0.71 0.00 0.00 0.00 175.76 177.10 1hrj s TYR 14 N 1.18 3.65 0.41 0.00 2.02 -1.26 -4.67 117.35 118.68 1hrj s TYR 14 Ca 0.16 1.55 0.14 0.00 -0.37 0.00 0.00 57.07 58.55 1hrj s TYR 14 Cb -0.14 -2.99 0.99 0.00 -0.40 0.00 0.00 41.96 39.41 1hrj s TYR 14 CO 0.07 0.06 1.90 0.97 -1.57 0.00 0.00 175.55 176.98 1hrj h ILE 15 N 4.67 0.80 -2.09 2.71 6.09 -1.89 -3.46 117.51 124.36 1hrj h ILE 15 Ca -0.41 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1hrj h ILE 15 Cb 1.21 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1hrj h ILE 15 CO 0.75 0.09 -0.52 0.00 -3.07 0.00 0.00 178.15 175.39 1hrj n ALA 16 N -2.50 -1.58 -0.69 0.18 0.00 -1.26 -5.02 120.51 109.64 1hrj n ALA 16 Ca 0.15 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1hrj n ALA 16 Cb 0.52 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1hrj n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1hrj n ARG 17 N -1.38 -1.21 -1.54 0.00 0.63 -1.26 -4.72 116.66 107.19 1hrj n ARG 17 Ca 0.00 1.11 -0.34 0.00 -0.92 0.00 0.00 57.85 57.70 1hrj n ARG 17 Cb 0.10 -0.93 -0.06 0.00 0.45 0.00 0.00 32.46 32.02 1hrj n ARG 17 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1hrj n PRO 18 N 0.17 0.78 -0.77 -0.14 -0.02 -1.26 -4.91 135.00 128.84 1hrj n PRO 18 Ca 0.00 -0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 1hrj n PRO 18 Cb 0.00 -3.09 0.15 0.00 -0.02 0.00 0.00 33.50 30.54 1hrj n PRO 18 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1hrj n LEU 19 N 15.11 2.64 -4.63 2.45 -0.00 -1.26 -4.81 117.00 126.49 1hrj n LEU 19 Ca 0.44 0.43 -0.45 0.00 -0.00 0.00 0.00 56.01 56.43 1hrj n LEU 19 Cb 0.44 -1.42 -0.04 0.00 -0.00 0.00 0.00 43.42 42.40 1hrj n LEU 19 CO 0.74 -2.45 1.65 -2.65 -0.00 0.00 0.00 177.39 174.69 1hrj n PRO 20 N -3.47 2.26 0.06 1.47 -0.02 -1.26 -4.85 135.00 129.19 1hrj n PRO 20 Ca 0.11 0.77 0.01 0.00 -2.02 0.00 0.00 63.50 62.37 1hrj n PRO 20 Cb 0.52 -2.91 0.33 0.00 -0.02 0.00 0.00 33.50 31.42 1hrj n PRO 20 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1hrj h ARG 21 N 11.50 0.37 0.00 -0.52 2.43 -1.95 -1.81 114.38 124.40 1hrj h ARG 21 Ca -0.45 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1hrj h ARG 21 Cb 1.26 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1hrj h ARG 21 CO 0.96 0.49 -0.00 0.00 -1.51 0.00 0.00 179.97 179.90 1hrj h ALA 22 N 1.54 1.02 0.00 2.80 0.00 -2.02 -1.37 119.26 121.24 1hrj h ALA 22 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1hrj h ALA 22 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1hrj h ALA 22 CO 0.02 0.01 -1.19 0.72 0.00 0.00 0.00 179.25 178.81 1hrj n HIS 23 N -3.12 0.36 -2.01 0.00 8.25 -0.69 -4.93 115.22 113.08 1hrj n HIS 23 Ca -0.02 0.11 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 1hrj n HIS 23 Cb 0.14 -0.55 0.07 0.00 1.12 0.00 0.00 29.99 30.78 1hrj n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1hrj s ILE 24 N -3.28 2.40 0.00 1.59 1.01 -0.52 -1.76 121.20 120.64 1hrj s ILE 24 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1hrj s ILE 24 Cb 0.13 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1hrj s ILE 24 CO 0.82 -0.13 0.00 1.17 0.00 0.00 0.00 174.94 176.80 1hrj n LYS 25 N -3.12 2.44 0.00 2.79 4.81 -0.42 -4.61 118.16 120.05 1hrj n LYS 25 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1hrj n LYS 25 Cb 0.60 -0.84 0.00 0.00 0.02 0.00 0.00 35.03 34.81 1hrj n LYS 25 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1hrj n GLU 26 N -1.59 0.00 -3.93 1.64 0.00 -0.71 -4.87 120.64 111.19 1hrj n GLU 26 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1hrj n GLU 26 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.78 1hrj n GLU 26 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1hrj s TYR 27 N -2.41 0.55 -0.50 -1.84 -0.85 -1.26 -2.20 117.35 108.85 1hrj s TYR 27 Ca 0.00 -1.04 0.07 0.00 -0.52 0.00 0.00 57.07 55.58 1hrj s TYR 27 Cb 0.00 0.45 0.19 0.00 0.38 0.00 0.00 41.96 42.97 1hrj s TYR 27 CO 0.00 -1.41 0.69 0.12 -1.52 0.00 0.00 175.55 173.44 1hrj s PHE 28 N -2.54 -1.48 0.20 -3.49 5.36 0.53 -4.78 117.98 111.78 1hrj s PHE 28 Ca 0.22 -0.56 -0.33 0.00 -0.96 0.00 0.00 56.93 55.31 1hrj s PHE 28 Cb -0.03 0.25 -0.14 0.00 -0.34 0.00 0.00 43.02 42.76 1hrj s PHE 28 CO 0.16 -1.24 1.50 0.98 -1.46 0.00 0.00 175.22 175.16 1hrj n TYR 29 N 3.14 2.26 -2.74 10.12 9.36 -1.26 -1.57 117.16 136.46 1hrj n TYR 29 Ca 0.18 0.34 -0.42 0.00 3.32 0.00 0.00 57.90 61.32 1hrj n TYR 29 Cb 0.56 -2.51 -0.03 0.00 -0.63 0.00 0.00 39.34 36.73 1hrj n TYR 29 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1hrj s THR 30 N 0.44 4.85 0.00 2.97 2.01 -0.90 -4.89 115.64 120.12 1hrj s THR 30 Ca 0.73 1.97 0.00 0.00 0.31 0.00 0.00 61.69 64.70 1hrj s THR 30 Cb -0.66 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 67.57 1hrj s THR 30 CO 0.43 0.09 0.85 -1.20 -0.69 0.00 0.00 174.62 174.11 1hrj n SER 31 N 4.45 0.00 0.00 3.53 7.64 -1.26 -4.59 113.62 123.40 1hrj n SER 31 Ca 0.06 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1hrj n SER 31 Cb 0.50 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1hrj n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hrj n GLY 32 N -0.87 -1.79 0.28 0.23 0.00 -1.26 -5.00 105.19 96.79 1hrj n GLY 32 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 46.02 46.49 1hrj n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hrj n LYS 33 N 0.00 0.46 0.00 1.61 5.02 -1.26 -5.02 118.16 118.97 1hrj n LYS 33 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1hrj n LYS 33 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1hrj n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hrj n SER 35 N 0.00 2.87 -2.90 0.00 2.88 -1.26 -4.66 113.62 110.56 1hrj n SER 35 Ca 0.00 -3.62 -0.21 0.00 -1.33 0.00 0.00 58.87 53.70 1hrj n SER 35 Cb 0.00 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 1hrj n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1hrj n ASN 36 N -1.01 2.84 -4.68 -3.46 4.13 -1.26 -5.08 115.26 106.74 1hrj n ASN 36 Ca 0.34 -3.31 -0.45 0.00 1.68 0.00 0.00 54.58 52.84 1hrj n ASN 36 Cb 1.08 -0.56 -0.04 0.00 -1.54 0.00 0.00 39.78 38.73 1hrj n ASN 36 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1hrj n PRO 37 N -0.09 2.28 0.00 3.52 -0.02 -1.26 -4.40 135.00 135.02 1hrj n PRO 37 Ca 0.27 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 1hrj n PRO 37 Cb 0.59 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1hrj n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hrj n ALA 38 N 3.25 0.00 -3.06 3.55 0.00 -1.26 -4.49 120.51 118.50 1hrj n ALA 38 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1hrj n ALA 38 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 1hrj n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hrj s VAL 39 N -0.51 0.01 -0.23 0.00 0.11 -1.26 -2.13 120.40 116.40 1hrj s VAL 39 Ca 0.00 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1hrj s VAL 39 Cb 0.00 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1hrj s VAL 39 CO 0.00 -0.04 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.94 1hrj s VAL 40 N -0.07 2.66 0.24 2.04 1.01 -0.61 -3.11 120.40 122.56 1hrj s VAL 40 Ca -0.02 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 1hrj s VAL 40 Cb -0.02 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 1hrj s VAL 40 CO 0.00 0.28 0.86 -0.36 0.00 0.00 0.00 175.10 175.88 1hrj s PHE 41 N 1.31 3.84 -0.62 5.22 0.08 0.27 0.20 117.98 128.27 1hrj s PHE 41 Ca 0.01 1.72 0.03 0.00 0.12 0.00 0.00 56.93 58.82 1hrj s PHE 41 Cb -0.16 -2.85 0.15 0.00 -0.57 0.00 0.00 43.02 39.60 1hrj s PHE 41 CO -0.06 0.39 0.40 0.14 -0.10 0.00 0.00 175.22 175.99 1hrj s VAL 42 N -1.34 2.91 0.00 -0.44 -7.23 -0.94 0.64 120.40 114.00 1hrj s VAL 42 Ca 0.42 -3.71 0.00 0.00 -1.81 0.00 0.00 61.98 56.88 1hrj s VAL 42 Cb -0.22 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1hrj s VAL 42 CO 0.26 -0.90 0.00 0.35 -0.31 0.00 0.00 175.10 174.50 1hrj n THR 43 N 2.64 0.00 -0.01 5.32 -2.24 -1.25 -1.30 114.28 117.43 1hrj n THR 43 Ca 0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1hrj n THR 43 Cb 0.34 -1.83 -0.05 0.00 -2.10 0.00 0.00 70.33 66.69 1hrj n THR 43 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1hrj h ARG 44 N 0.00 -0.29 -0.41 -0.78 0.11 -1.60 1.29 114.38 112.71 1hrj h ARG 44 Ca 0.00 0.02 0.12 0.00 0.10 0.00 0.00 59.98 60.22 1hrj h ARG 44 Cb 0.00 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.13 1hrj h ARG 44 CO 0.00 -0.19 0.33 -0.22 0.10 0.00 0.00 179.97 179.99 1hrj h LYS 45 N -0.30 0.00 -0.41 0.08 3.64 -1.92 -3.44 116.57 114.21 1hrj h LYS 45 Ca 0.02 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 1hrj h LYS 45 Cb 0.35 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1hrj h LYS 45 CO -0.24 0.00 -0.16 0.09 -2.27 0.00 0.00 179.45 176.87 1hrj n ASN 46 N -4.21 -4.06 -4.54 4.20 3.02 0.44 -5.00 115.26 105.12 1hrj n ASN 46 Ca 0.07 0.21 -0.30 0.00 -0.03 0.00 0.00 54.58 54.53 1hrj n ASN 46 Cb 0.52 -2.32 0.21 0.00 -0.61 0.00 0.00 39.78 37.57 1hrj n ASN 46 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1hrj n ARG 47 N -2.72 -1.47 -2.29 3.52 5.12 -1.26 -4.52 116.66 113.03 1hrj n ARG 47 Ca -0.09 -0.38 -0.42 0.00 -1.93 0.00 0.00 57.85 55.03 1hrj n ARG 47 Cb 0.29 -2.21 0.00 0.00 -1.16 0.00 0.00 32.46 29.38 1hrj n ARG 47 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1hrj n GLN 48 N -4.33 3.69 -0.76 5.56 6.02 -1.26 -3.96 117.38 122.34 1hrj n GLN 48 Ca 0.07 -3.50 -0.33 0.00 -0.01 0.00 0.00 57.00 53.22 1hrj n GLN 48 Cb 0.54 -2.91 0.13 0.00 1.02 0.00 0.00 30.24 29.02 1hrj n GLN 48 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1hrj n VAL 49 N 3.22 0.00 -4.57 5.09 0.31 0.21 -4.62 118.33 117.96 1hrj n VAL 49 Ca 0.42 -0.25 -0.27 0.00 -0.01 0.00 0.00 64.34 64.23 1hrj n VAL 49 Cb 0.35 -0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 32.66 1hrj n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hrj n ALA 51 N -0.97 0.00 -1.33 0.00 0.00 -1.18 -3.12 120.51 113.90 1hrj n ALA 51 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1hrj n ALA 51 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1hrj n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1hrj n ASN 52 N 0.00 -7.33 -0.07 0.00 2.85 -1.26 -4.70 115.26 104.75 1hrj n ASN 52 Ca 0.00 1.18 -0.13 0.00 -0.11 0.00 0.00 54.58 55.51 1hrj n ASN 52 Cb 0.00 -3.94 -0.11 0.00 1.24 0.00 0.00 39.78 36.97 1hrj n ASN 52 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1hrj h PRO 53 N 1.09 0.00 -1.55 1.20 0.13 -1.79 -3.36 132.00 127.73 1hrj h PRO 53 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 1hrj h PRO 53 Cb 0.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.02 1hrj h PRO 53 CO 0.00 0.83 0.68 -1.91 -0.23 0.00 0.00 178.00 177.38 1hrj n GLU 54 N -4.60 2.87 -0.85 0.86 2.13 -1.26 -4.46 120.64 115.33 1hrj n GLU 54 Ca -0.13 -3.60 -0.13 0.00 0.66 0.00 0.00 57.16 53.96 1hrj n GLU 54 Cb 0.45 -2.27 0.16 0.00 0.27 0.00 0.00 31.44 30.05 1hrj n GLU 54 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1hrj n LYS 55 N -0.66 2.29 0.00 5.31 4.76 -1.26 -4.97 118.16 123.63 1hrj n LYS 55 Ca 0.55 -2.21 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 1hrj n LYS 55 Cb 0.46 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1hrj n LYS 55 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1hrj n LYS 56 N -0.47 0.00 -0.41 1.97 4.01 -1.26 -3.76 118.16 118.23 1hrj n LYS 56 Ca 0.39 0.00 0.33 0.00 -0.51 0.00 0.00 58.31 58.52 1hrj n LYS 56 Cb 1.28 0.00 0.61 0.00 -0.51 0.00 0.00 35.03 36.41 1hrj n LYS 56 CO 0.00 0.00 0.00 0.11 -1.11 0.00 0.00 177.40 176.40 1hrj h TRP 57 N 0.00 0.58 -0.10 2.13 5.08 -1.96 0.68 115.95 122.36 1hrj h TRP 57 Ca 0.00 0.02 0.02 0.00 1.08 0.00 0.00 58.89 60.02 1hrj h TRP 57 Cb 0.00 -0.15 -0.02 0.00 -3.00 0.00 0.00 29.16 25.99 1hrj h TRP 57 CO 0.00 -0.16 -0.05 -0.39 -1.28 0.00 0.00 178.44 176.56 1hrj h VAL 58 N 0.16 0.83 -0.06 0.12 -1.51 -1.87 -0.67 116.25 113.25 1hrj h VAL 58 Ca 0.77 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 66.16 1hrj h VAL 58 Cb 2.30 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.28 1hrj h VAL 58 CO -0.42 0.00 -0.35 0.03 -1.23 0.00 0.00 177.57 175.60 1hrj h ARG 59 N -0.04 0.11 0.00 5.19 3.08 -1.11 -0.89 114.38 120.72 1hrj h ARG 59 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1hrj h ARG 59 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1hrj h ARG 59 CO -0.13 0.45 0.00 0.93 -1.07 0.00 0.00 179.97 180.15 1hrj h GLU 60 N 0.10 0.00 0.02 0.04 5.08 -0.62 -2.37 114.58 116.83 1hrj h GLU 60 Ca 0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.03 1hrj h GLU 60 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1hrj h GLU 60 CO 0.05 0.00 -2.03 0.66 -1.00 0.00 0.00 179.01 176.69 1hrj n TYR 61 N -2.83 0.66 0.16 4.33 4.02 -0.35 -2.72 117.16 120.42 1hrj n TYR 61 Ca 0.00 0.21 -0.14 0.00 -0.01 0.00 0.00 57.90 57.96 1hrj n TYR 61 Cb 0.23 -1.11 -0.06 0.00 -0.02 0.00 0.00 39.34 38.37 1hrj n TYR 61 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1hrj h ILE 62 N 0.01 0.48 0.01 -0.72 2.04 -0.69 0.23 117.51 118.88 1hrj h ILE 62 Ca -0.42 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.25 1hrj h ILE 62 Cb 2.07 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1hrj h ILE 62 CO 0.05 0.00 -0.89 0.78 0.00 0.00 0.00 178.15 178.09 1hrj h ASN 63 N -0.50 0.12 0.70 1.72 2.35 -1.69 -3.04 115.58 115.24 1hrj h ASN 63 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1hrj h ASN 63 Cb 0.48 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1hrj h ASN 63 CO -0.07 0.95 0.00 -0.24 -1.65 0.00 0.00 177.43 176.41 1hrj n SER 64 N -3.57 0.15 -4.71 5.81 2.88 -1.04 -4.68 113.62 108.46 1hrj n SER 64 Ca -0.02 0.53 -0.40 0.00 -1.33 0.00 0.00 58.87 57.65 1hrj n SER 64 Cb 0.83 -0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 1hrj n SER 64 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1hrj s LEU 65 N -3.31 4.30 0.40 2.46 1.43 0.80 -5.01 118.68 119.74 1hrj s LEU 65 Ca 0.08 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.45 1hrj s LEU 65 Cb 0.12 -3.11 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 1hrj s LEU 65 CO 0.36 -0.16 0.00 -1.61 0.23 0.00 0.00 176.35 175.18 1hrj s GLU 66 N 0.98 1.92 0.08 1.70 0.41 -1.26 -4.99 118.70 117.53 1hrj s GLU 66 Ca 0.38 -2.07 -0.22 0.00 -0.41 0.00 0.00 54.97 52.65 1hrj s GLU 66 Cb -0.18 -1.58 -0.12 0.00 -1.78 0.00 0.00 34.13 30.48 1hrj s GLU 66 CO 0.18 -0.04 1.61 1.98 -0.49 0.00 0.00 175.26 178.50 1hrj h MET 67 N 1.83 0.18 0.00 1.61 1.85 -1.97 -3.48 114.93 114.95 1hrj h MET 67 Ca -0.44 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 1hrj h MET 67 Cb 1.24 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1hrj h MET 67 CO 0.79 0.28 0.00 0.45 -0.40 0.00 0.00 176.91 178.03