#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrj s PRO 2 N 0.00 4.13 0.05 1.43 0.02 -1.26 -4.93 135.00 134.43 1hrj s PRO 2 Ca 0.00 2.56 -0.02 0.00 0.02 0.00 0.00 61.00 63.56 1hrj s PRO 2 Cb 0.00 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.50 1hrj s PRO 2 CO 0.00 -0.59 -0.04 0.66 -0.33 0.00 0.00 177.00 176.69 1hrj n TYR 3 N 1.71 0.00 -0.11 6.54 4.01 -1.26 -4.90 117.16 123.15 1hrj n TYR 3 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 1hrj n TYR 3 Cb 0.38 -0.07 -0.11 0.00 -0.31 0.00 0.00 39.34 39.22 1hrj n TYR 3 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1hrj n SER 4 N -3.54 1.97 -2.74 7.72 7.64 -1.26 -5.04 113.62 118.37 1hrj n SER 4 Ca -0.03 0.19 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 1hrj n SER 4 Cb 0.15 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1hrj n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1hrj n SER 5 N -3.89 -6.07 -0.16 6.43 7.64 -1.26 -5.04 113.62 111.27 1hrj n SER 5 Ca -0.46 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1hrj n SER 5 Cb 0.91 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1hrj n SER 5 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1hrj n ASP 6 N -2.07 0.00 -4.79 6.43 5.75 -1.26 -5.17 116.55 115.44 1hrj n ASP 6 Ca -0.02 -0.16 -0.24 0.00 -0.01 0.00 0.00 54.79 54.36 1hrj n ASP 6 Cb 0.54 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.71 1hrj n ASP 6 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1hrj s THR 7 N -2.08 2.31 -0.14 2.12 -1.32 -1.26 -5.10 115.64 110.17 1hrj s THR 7 Ca 0.00 -0.43 -0.04 0.00 -1.21 0.00 0.00 61.69 60.01 1hrj s THR 7 Cb 0.00 -2.88 0.07 0.00 -1.51 0.00 0.00 72.50 68.18 1hrj s THR 7 CO 0.00 0.00 0.17 -0.89 -2.21 0.00 0.00 174.62 171.69 1hrj s THR 8 N -3.16 -0.25 -0.60 5.08 2.01 -1.26 -5.08 115.64 112.38 1hrj s THR 8 Ca 0.62 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.44 1hrj s THR 8 Cb -0.08 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 1hrj s THR 8 CO 0.44 -0.06 2.46 -2.65 -0.69 0.00 0.00 174.62 174.12 1hrj n PRO 9 N 5.31 0.83 -3.79 4.92 -0.02 -1.26 -4.89 135.00 136.10 1hrj n PRO 9 Ca -0.05 -0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.24 1hrj n PRO 9 Cb 0.50 -3.13 -0.10 0.00 -0.02 0.00 0.00 33.50 30.75 1hrj n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hrj h PHE 12 N 6.18 0.25 -3.08 0.00 -0.00 -1.97 -3.44 116.94 114.89 1hrj h PHE 12 Ca -0.41 -0.18 -0.62 0.00 -0.00 0.00 0.00 57.97 56.75 1hrj h PHE 12 Cb 1.18 -0.01 -0.11 0.00 -0.00 0.00 0.00 35.95 37.01 1hrj h PHE 12 CO 0.60 1.60 -0.49 0.00 -0.00 0.00 0.00 178.31 180.02 1hrj s ALA 13 N -2.45 3.73 -0.08 12.09 0.00 -1.26 -4.98 121.76 128.81 1hrj s ALA 13 Ca -0.25 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1hrj s ALA 13 Cb 0.06 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1hrj s ALA 13 CO 0.69 0.31 -0.18 1.52 0.00 0.00 0.00 175.76 178.09 1hrj s TYR 14 N -0.08 2.64 0.85 0.00 1.13 -1.26 -4.74 117.35 115.89 1hrj s TYR 14 Ca 0.10 -0.56 -0.11 0.00 -1.41 0.00 0.00 57.07 55.09 1hrj s TYR 14 Cb -0.11 -1.69 0.10 0.00 -1.10 0.00 0.00 41.96 39.16 1hrj s TYR 14 CO -0.00 -0.12 1.11 -1.50 -2.51 0.00 0.00 175.55 172.53 1hrj s ILE 15 N -0.13 2.77 -0.97 -3.49 2.07 -1.26 -4.86 121.20 115.32 1hrj s ILE 15 Ca -0.03 0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.43 1hrj s ILE 15 Cb -0.14 -2.55 0.26 0.00 0.13 0.00 0.00 42.46 40.16 1hrj s ILE 15 CO 0.04 -0.32 1.02 0.00 -1.91 0.00 0.00 174.94 173.76 1hrj n ALA 16 N -3.86 4.24 -3.30 1.50 0.00 -1.26 -4.69 120.51 113.13 1hrj n ALA 16 Ca 0.10 -4.68 0.03 0.00 0.00 0.00 0.00 53.44 48.88 1hrj n ALA 16 Cb 0.53 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 1hrj n ALA 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1hrj s ARG 17 N -1.77 0.23 -0.49 0.00 3.00 -1.26 -5.10 118.95 113.56 1hrj s ARG 17 Ca 0.31 0.54 -0.27 0.00 -1.00 0.00 0.00 55.73 55.31 1hrj s ARG 17 Cb -0.03 0.32 -0.08 0.00 0.00 0.00 0.00 34.95 35.16 1hrj s ARG 17 CO -0.05 -0.12 2.41 -0.35 0.00 0.00 0.00 175.30 177.18 1hrj n PRO 18 N 5.03 1.07 -1.68 5.12 -0.04 -1.26 -4.88 135.00 138.37 1hrj n PRO 18 Ca -0.08 0.07 -0.45 0.00 -0.04 0.00 0.00 63.50 63.00 1hrj n PRO 18 Cb 0.53 -3.23 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 1hrj n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hrj n LEU 19 N 14.78 3.71 -4.66 1.53 4.77 -1.26 -4.84 117.00 131.03 1hrj n LEU 19 Ca 0.39 0.97 -0.48 0.00 -0.03 0.00 0.00 56.01 56.86 1hrj n LEU 19 Cb 0.48 -1.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.08 1hrj n LEU 19 CO 0.72 0.03 1.54 -2.65 -1.33 0.00 0.00 177.39 175.70 1hrj n PRO 20 N 6.39 2.16 -0.00 3.23 -0.02 -1.26 -4.79 135.00 140.71 1hrj n PRO 20 Ca 0.21 0.78 0.23 0.00 -2.02 0.00 0.00 63.50 62.69 1hrj n PRO 20 Cb 0.34 -2.69 0.65 0.00 -0.02 0.00 0.00 33.50 31.78 1hrj n PRO 20 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1hrj h ARG 21 N 9.79 0.00 0.01 -0.52 -0.00 -1.91 0.92 114.38 122.67 1hrj h ARG 21 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.51 1hrj h ARG 21 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.24 1hrj h ARG 21 CO 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 179.97 180.92 1hrj h ALA 22 N 1.18 -0.02 0.00 0.08 0.00 -1.98 -2.74 119.26 115.78 1hrj h ALA 22 Ca 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1hrj h ALA 22 Cb 1.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1hrj h ALA 22 CO -0.00 -0.35 -0.18 0.45 0.00 0.00 0.00 179.25 179.17 1hrj h HIS 23 N -0.33 0.00 -4.12 0.00 3.86 -1.20 -3.43 115.15 109.92 1hrj h HIS 23 Ca -0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 1hrj h HIS 23 Cb 0.32 0.00 0.07 0.00 1.06 0.00 0.00 27.41 28.86 1hrj h HIS 23 CO 0.03 0.18 0.31 0.42 0.86 0.00 0.00 177.93 179.73 1hrj s ILE 24 N -3.96 3.69 0.00 2.45 1.01 -0.81 -1.77 121.20 121.80 1hrj s ILE 24 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1hrj s ILE 24 Cb 0.12 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1hrj s ILE 24 CO 0.61 -0.61 0.00 0.29 0.00 0.00 0.00 174.94 175.23 1hrj n LYS 25 N -2.80 2.47 0.00 2.79 4.76 -0.83 -4.70 118.16 119.85 1hrj n LYS 25 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1hrj n LYS 25 Cb 0.57 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 1hrj n LYS 25 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1hrj n GLU 26 N -1.34 0.00 -3.45 1.97 0.00 -0.82 -4.36 120.64 112.64 1hrj n GLU 26 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1hrj n GLU 26 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.69 1hrj n GLU 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1hrj n TYR 27 N 0.00 -1.98 -3.01 -1.84 0.18 -1.26 -2.28 117.16 106.97 1hrj n TYR 27 Ca 0.00 -1.70 -0.01 0.00 1.88 0.00 0.00 57.90 58.07 1hrj n TYR 27 Cb 0.00 0.73 -0.00 0.00 -0.38 0.00 0.00 39.34 39.69 1hrj n TYR 27 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1hrj s PHE 28 N -3.15 -1.50 0.26 -3.48 5.36 0.52 -4.73 117.98 111.27 1hrj s PHE 28 Ca 0.16 -0.01 -0.31 0.00 -0.96 0.00 0.00 56.93 55.81 1hrj s PHE 28 Cb -0.03 0.28 -0.12 0.00 -0.34 0.00 0.00 43.02 42.81 1hrj s PHE 28 CO 0.12 -1.07 1.63 0.98 -1.46 0.00 0.00 175.22 175.42 1hrj n TYR 29 N 3.84 2.79 -3.57 10.12 9.36 -1.26 -1.62 117.16 136.82 1hrj n TYR 29 Ca 0.12 0.19 -0.36 0.00 3.32 0.00 0.00 57.90 61.18 1hrj n TYR 29 Cb 0.58 -2.62 -0.06 0.00 -0.63 0.00 0.00 39.34 36.61 1hrj n TYR 29 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1hrj s THR 30 N 0.37 5.11 0.00 2.97 -1.32 -1.14 -4.91 115.64 116.72 1hrj s THR 30 Ca 0.68 0.58 0.00 0.00 -1.21 0.00 0.00 61.69 61.74 1hrj s THR 30 Cb -0.51 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 1hrj s THR 30 CO 0.43 0.44 0.00 -1.20 -2.21 0.00 0.00 174.62 172.08 1hrj n SER 31 N 1.37 0.00 -1.96 8.08 7.64 -1.26 -4.57 113.62 122.91 1hrj n SER 31 Ca -0.11 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.73 1hrj n SER 31 Cb 0.53 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.05 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 2.30 3.59 0.11 0.23 0.00 -1.26 -4.63 105.19 105.53 1hrj n GLY 32 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 1hrj n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hrj h LYS 33 N 2.85 -0.28 -7.38 1.61 1.57 -1.99 -3.44 116.57 109.51 1hrj h LYS 33 Ca 0.22 0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 58.56 1hrj h LYS 33 Cb 2.27 0.06 0.15 0.00 0.08 0.00 0.00 32.23 34.79 1hrj h LYS 33 CO 0.69 -0.18 0.22 0.00 -0.57 0.00 0.00 179.45 179.61 1hrj n SER 35 N -4.06 7.02 -3.01 0.00 2.88 -1.26 -4.56 113.62 110.63 1hrj n SER 35 Ca 0.06 -3.39 -0.14 0.00 -1.33 0.00 0.00 58.87 54.08 1hrj n SER 35 Cb 0.57 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 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 -0.21 -2.18 -4.71 -3.46 4.13 -1.26 -5.10 115.26 102.47 1hrj n ASN 36 Ca 0.45 -2.74 -0.42 0.00 1.68 0.00 0.00 54.58 53.55 1hrj n ASN 36 Cb 0.61 0.82 0.00 0.00 -1.54 0.00 0.00 39.78 39.68 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 2.73 2.06 -0.57 3.52 -0.02 -1.26 -4.65 135.00 136.81 1hrj n PRO 37 Ca 0.22 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1hrj n PRO 37 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.05 0.00 -3.45 3.55 0.00 -1.26 -4.43 120.51 114.96 1hrj n ALA 38 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1hrj n ALA 38 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.52 -0.03 -0.23 0.00 0.11 -1.26 -2.88 120.40 113.59 1hrj s VAL 39 Ca 0.00 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1hrj s VAL 39 Cb 0.00 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1hrj s VAL 39 CO 0.00 0.04 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.11 1hrj s VAL 40 N 0.74 3.59 -0.01 2.04 1.01 -0.64 -3.20 120.40 123.93 1hrj s VAL 40 Ca -0.05 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1hrj s VAL 40 Cb -0.07 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1hrj s VAL 40 CO -0.04 0.40 0.74 -0.36 0.00 0.00 0.00 175.10 175.85 1hrj s PHE 41 N 1.51 3.66 -0.85 5.22 0.08 -0.62 0.20 117.98 127.17 1hrj s PHE 41 Ca 0.06 1.38 -0.06 0.00 0.12 0.00 0.00 56.93 58.43 1hrj s PHE 41 Cb -0.14 -2.82 0.22 0.00 -0.57 0.00 0.00 43.02 39.70 1hrj s PHE 41 CO -0.02 0.18 0.75 0.14 -0.10 0.00 0.00 175.22 176.17 1hrj s VAL 42 N 0.38 4.74 0.00 -0.44 -7.23 -0.96 -1.28 120.40 115.61 1hrj s VAL 42 Ca 0.39 -3.29 0.00 0.00 -1.81 0.00 0.00 61.98 57.27 1hrj s VAL 42 Cb -0.19 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 32.81 1hrj s VAL 42 CO 0.21 -1.04 0.00 0.35 -0.31 0.00 0.00 175.10 174.31 1hrj n THR 43 N 3.00 0.00 -0.00 5.32 -2.24 -1.26 -1.94 114.28 117.16 1hrj n THR 43 Ca 0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1hrj n THR 43 Cb 0.40 -1.85 -0.08 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 -0.48 -0.44 -0.78 0.11 -1.63 1.17 114.38 112.34 1hrj h ARG 44 Ca 0.00 0.03 0.10 0.00 0.10 0.00 0.00 59.98 60.22 1hrj h ARG 44 Cb 0.00 0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 1hrj h ARG 44 CO 0.00 -0.32 0.31 0.87 0.10 0.00 0.00 179.97 180.93 1hrj h LYS 45 N -0.49 0.12 -0.08 0.08 1.57 -1.92 -3.44 116.57 112.40 1hrj h LYS 45 Ca 0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1hrj h LYS 45 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1hrj h LYS 45 CO -0.36 0.08 -0.03 0.09 -0.57 0.00 0.00 179.45 178.66 1hrj n ASN 46 N -4.44 -4.50 -4.68 0.86 3.02 0.40 -4.97 115.26 100.95 1hrj n ASN 46 Ca 0.07 0.04 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 1hrj n ASN 46 Cb 0.43 -2.15 0.06 0.00 -0.61 0.00 0.00 39.78 37.50 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 -1.22 1.14 -2.45 3.52 5.12 -1.26 -4.55 116.66 116.96 1hrj n ARG 47 Ca -0.02 0.44 -0.38 0.00 -1.93 0.00 0.00 57.85 55.96 1hrj n ARG 47 Cb 0.27 -2.37 -0.03 0.00 -1.16 0.00 0.00 32.46 29.17 1hrj n ARG 47 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1hrj s GLN 48 N -2.97 3.40 0.91 5.56 -0.21 -1.26 -4.28 119.66 120.80 1hrj s GLN 48 Ca 0.77 -1.02 -0.13 0.00 0.02 0.00 0.00 55.36 54.99 1hrj s GLN 48 Cb -0.41 -5.31 0.14 0.00 1.00 0.00 0.00 33.01 28.43 1hrj s GLN 48 CO 0.45 -2.47 1.18 0.08 -2.12 0.00 0.00 175.29 172.41 1hrj s VAL 49 N 6.02 1.97 0.00 1.09 1.01 -0.40 -4.84 120.40 125.25 1hrj s VAL 49 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1hrj s VAL 49 Cb -0.01 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1hrj s VAL 49 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.03 1hrj n ALA 51 N -3.00 0.00 -1.29 0.00 0.00 -1.19 -4.32 120.51 110.71 1hrj n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hrj n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -7.17 0.09 0.00 2.85 -1.26 -4.59 115.26 105.17 1hrj n ASN 52 Ca 0.00 1.01 0.01 0.00 -0.11 0.00 0.00 54.58 55.48 1hrj n ASN 52 Cb 0.00 -3.68 -0.03 0.00 1.24 0.00 0.00 39.78 37.31 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 1.37 0.00 -0.56 1.20 0.13 -1.80 -3.38 132.00 128.97 1hrj h PRO 53 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 1hrj h PRO 53 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 1hrj h PRO 53 CO 0.00 0.45 -0.75 0.39 -0.23 0.00 0.00 178.00 177.86 1hrj n GLU 54 N -3.09 3.09 -0.49 0.86 1.02 -1.26 -4.66 120.64 116.11 1hrj n GLU 54 Ca -0.03 -3.95 -0.04 0.00 -0.02 0.00 0.00 57.16 53.13 1hrj n GLU 54 Cb 0.79 -2.10 0.14 0.00 -0.02 0.00 0.00 31.44 30.25 1hrj n GLU 54 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1hrj n LYS 55 N -0.80 2.21 0.00 3.49 3.00 -1.26 -4.95 118.16 119.84 1hrj n LYS 55 Ca 0.37 -1.42 0.00 0.00 -0.00 0.00 0.00 58.31 57.26 1hrj n LYS 55 Cb 0.90 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 34.23 1hrj n LYS 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1hrj n LYS 56 N 0.02 0.00 -0.31 1.64 5.02 -1.26 -3.74 118.16 119.53 1hrj n LYS 56 Ca 0.20 0.00 0.34 0.00 -2.02 0.00 0.00 58.31 56.84 1hrj n LYS 56 Cb 0.86 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 36.51 1hrj n LYS 56 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1hrj h TRP 57 N 0.00 0.00 0.21 2.13 5.08 -1.97 0.91 115.95 122.31 1hrj h TRP 57 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1hrj h TRP 57 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1hrj h TRP 57 CO 0.00 0.00 -0.10 -0.39 -1.28 0.00 0.00 178.44 176.67 1hrj h VAL 58 N 0.00 0.86 -0.54 0.12 -1.51 -1.87 0.49 116.25 113.80 1hrj h VAL 58 Ca 0.57 -0.42 -0.09 0.00 -1.23 0.00 0.00 66.70 65.53 1hrj h VAL 58 Cb 2.75 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 33.00 1hrj h VAL 58 CO -0.01 0.10 -0.01 0.03 -1.23 0.00 0.00 177.57 176.45 1hrj h ARG 59 N -0.49 0.94 0.00 5.19 3.08 -1.11 0.51 114.38 122.50 1hrj h ARG 59 Ca -0.03 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1hrj h ARG 59 Cb 0.37 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1hrj h ARG 59 CO 0.05 0.93 0.00 0.39 -1.07 0.00 0.00 179.97 180.27 1hrj n GLU 60 N -4.19 0.18 -0.02 0.04 1.02 -0.90 -1.74 120.64 115.04 1hrj n GLU 60 Ca 0.03 0.46 0.01 0.00 -0.02 0.00 0.00 57.16 57.64 1hrj n GLU 60 Cb 0.33 -1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 29.74 1hrj n GLU 60 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1hrj n TYR 61 N -2.22 0.37 -0.08 -0.32 4.02 0.15 -3.26 117.16 115.82 1hrj n TYR 61 Ca 0.02 0.12 -0.10 0.00 -0.01 0.00 0.00 57.90 57.93 1hrj n TYR 61 Cb 0.19 -0.87 -0.03 0.00 -0.02 0.00 0.00 39.34 38.62 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 0.00 1.14 -0.00 -0.72 1.08 -0.10 -1.87 117.51 117.04 1hrj h ILE 62 Ca -0.22 -0.39 -0.25 0.00 -0.39 0.00 0.00 64.86 63.61 1hrj h ILE 62 Cb 1.57 0.92 0.01 0.00 -3.07 0.00 0.00 36.82 36.25 1hrj h ILE 62 CO 0.02 0.14 -1.00 0.78 -0.69 0.00 0.00 178.15 177.40 1hrj h ASN 63 N 0.29 0.76 -0.66 1.72 4.21 -1.72 -3.15 115.58 117.04 1hrj h ASN 63 Ca 0.09 -0.61 0.13 0.00 1.21 0.00 0.00 56.30 57.12 1hrj h ASN 63 Cb 0.10 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.03 1hrj h ASN 63 CO -0.01 1.41 0.44 -1.28 -1.29 0.00 0.00 177.43 176.70 1hrj h SER 64 N 0.33 0.32 -1.81 5.81 0.87 -1.50 -3.41 113.55 114.15 1hrj h SER 64 Ca -0.11 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1hrj h SER 64 Cb 1.64 -0.05 0.05 0.00 -0.44 0.00 0.00 62.40 63.60 1hrj h SER 64 CO 0.19 0.18 0.01 0.18 -0.53 0.00 0.00 176.83 176.85 1hrj n LEU 65 N -4.46 0.00 -4.25 2.23 4.77 -0.72 -5.05 117.00 109.52 1hrj n LEU 65 Ca 0.12 -0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.59 1hrj n LEU 65 Cb 0.48 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1hrj n LEU 65 CO 0.34 -1.48 -0.51 -1.61 -1.33 0.00 0.00 177.39 172.80 1hrj s GLU 66 N -3.60 1.15 -0.70 3.23 2.02 -1.26 -5.04 118.70 114.50 1hrj s GLU 66 Ca 0.18 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1hrj s GLU 66 Cb -0.02 -1.32 0.36 0.00 0.10 0.00 0.00 34.13 33.25 1hrj s GLU 66 CO 0.14 0.32 1.47 -0.12 0.02 0.00 0.00 175.26 177.09 1hrj n MET 67 N 1.40 3.59 0.00 1.61 1.56 -1.26 -4.74 117.12 119.27 1hrj n MET 67 Ca -0.19 -4.34 0.00 0.00 -0.27 0.00 0.00 57.70 52.90 1hrj n MET 67 Cb 0.54 -2.30 0.00 0.00 2.15 0.00 0.00 33.22 33.61 1hrj n MET 67 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67