#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 3.80 0.29 1.43 0.05 -1.26 -4.86 135.00 134.45 1hrj s PRO 2 Ca 0.00 2.35 0.01 0.00 0.05 0.00 0.00 61.00 63.41 1hrj s PRO 2 Cb 0.00 -4.21 0.43 0.00 0.05 0.00 0.00 34.50 30.77 1hrj s PRO 2 CO 0.00 -1.33 1.79 1.88 0.05 0.00 0.00 177.00 179.38 1hrj h TYR 3 N 11.96 0.69 -2.56 0.56 -1.99 -2.09 -3.48 116.97 120.06 1hrj h TYR 3 Ca -0.45 -0.10 0.26 0.00 2.00 0.00 0.00 58.73 60.44 1hrj h TYR 3 Cb 1.23 -0.19 -0.06 0.00 2.00 0.00 0.00 36.73 39.71 1hrj h TYR 3 CO 0.95 0.69 -0.34 0.45 -0.00 0.00 0.00 178.16 179.90 1hrj n SER 4 N -4.22 -6.97 -3.55 3.88 2.88 -1.26 -4.77 113.62 99.61 1hrj n SER 4 Ca 0.02 1.03 -0.29 0.00 -1.33 0.00 0.00 58.87 58.30 1hrj n SER 4 Cb 0.31 -2.94 -0.15 0.00 -0.75 0.00 0.00 64.21 60.68 1hrj n SER 4 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1hrj s SER 5 N -5.81 3.43 0.00 -3.46 0.01 -1.26 -5.11 113.70 101.50 1hrj s SER 5 Ca 0.00 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.03 1hrj s SER 5 Cb 0.00 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1hrj s SER 5 CO 0.00 -0.43 0.00 -0.90 0.41 0.00 0.00 173.24 172.32 1hrj n ASP 6 N 5.25 0.00 -3.09 2.44 5.75 -1.26 -5.18 116.55 120.47 1hrj n ASP 6 Ca -0.06 -0.13 -0.09 0.00 -0.01 0.00 0.00 54.79 54.50 1hrj n ASP 6 Cb 0.43 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.56 1hrj n ASP 6 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1hrj n THR 7 N 0.00 0.00 -3.58 2.12 -2.24 -1.26 -5.12 114.28 104.20 1hrj n THR 7 Ca 0.00 -0.68 -0.02 0.00 -2.27 0.00 0.00 64.05 61.08 1hrj n THR 7 Cb 0.00 -1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 67.10 1hrj n THR 7 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hrj s THR 8 N -0.94 -0.41 -0.15 4.28 2.01 -1.26 -5.11 115.64 114.07 1hrj s THR 8 Ca 0.26 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1hrj s THR 8 Cb -0.02 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 1hrj s THR 8 CO 0.17 0.00 2.11 -2.84 -0.69 0.00 0.00 174.62 173.37 1hrj s PRO 9 N 2.13 3.46 0.02 4.92 0.02 -1.26 -4.94 135.00 139.35 1hrj s PRO 9 Ca -0.07 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 1hrj s PRO 9 Cb -0.07 -4.29 0.01 0.00 0.02 0.00 0.00 34.50 30.17 1hrj s PRO 9 CO -0.18 -1.73 0.26 0.00 -0.33 0.00 0.00 177.00 175.02 1hrj n PHE 12 N 0.47 0.00 -4.29 0.00 -1.74 -1.26 -4.72 117.46 105.92 1hrj n PHE 12 Ca -0.08 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.63 1hrj n PHE 12 Cb 0.51 -0.58 -0.14 0.00 1.52 0.00 0.00 39.48 40.80 1hrj n PHE 12 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1hrj s ALA 13 N -2.29 0.79 0.09 1.98 0.00 -1.26 -5.00 121.76 116.06 1hrj s ALA 13 Ca -0.15 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1hrj s ALA 13 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1hrj s ALA 13 CO 0.39 0.15 -0.13 1.52 0.00 0.00 0.00 175.76 177.69 1hrj s TYR 14 N -0.56 2.67 0.88 0.00 1.13 -1.26 -4.78 117.35 115.43 1hrj s TYR 14 Ca 0.01 -0.19 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 1hrj s TYR 14 Cb -0.06 -1.43 0.12 0.00 -1.10 0.00 0.00 41.96 39.49 1hrj s TYR 14 CO 0.00 0.39 1.09 -1.50 -2.51 0.00 0.00 175.55 173.02 1hrj s ILE 15 N -1.14 2.75 -1.07 -3.49 2.07 -1.26 -4.96 121.20 114.10 1hrj s ILE 15 Ca 0.19 0.24 -0.07 0.00 -1.41 0.00 0.00 60.65 59.61 1hrj s ILE 15 Cb -0.11 -2.74 0.27 0.00 0.13 0.00 0.00 42.46 40.02 1hrj s ILE 15 CO 0.11 -0.32 1.12 0.00 -1.91 0.00 0.00 174.94 173.94 1hrj n ALA 16 N -3.82 4.32 0.00 1.50 0.00 -1.26 -4.79 120.51 116.46 1hrj n ALA 16 Ca 0.07 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.83 1hrj n ALA 16 Cb 0.55 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1hrj n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hrj n ARG 17 N 2.36 0.00 -0.15 0.00 1.74 -1.26 -5.17 116.66 114.18 1hrj n ARG 17 Ca 0.24 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.11 1hrj n ARG 17 Cb 0.38 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.02 1hrj n ARG 17 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hrj n PRO 18 N 0.00 -3.98 -4.43 5.56 -0.04 -1.26 -5.01 135.00 125.85 1hrj n PRO 18 Ca 0.00 -1.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.16 1hrj n PRO 18 Cb 0.00 -1.31 -0.17 0.00 -0.04 0.00 0.00 33.50 31.98 1hrj n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hrj s LEU 19 N 0.00 1.80 0.64 1.53 1.43 -1.26 -5.11 118.68 117.70 1hrj s LEU 19 Ca 0.46 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 1hrj s LEU 19 Cb -0.08 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1hrj s LEU 19 CO 0.39 0.02 1.28 -2.84 0.23 0.00 0.00 176.35 175.42 1hrj s PRO 20 N 1.04 2.61 0.22 1.29 0.02 -1.26 -4.87 135.00 134.04 1hrj s PRO 20 Ca -0.05 2.02 0.21 0.00 0.02 0.00 0.00 61.00 63.20 1hrj s PRO 20 Cb -0.15 -1.86 0.92 0.00 0.02 0.00 0.00 34.50 33.43 1hrj s PRO 20 CO -0.03 -1.54 1.65 -2.13 -0.33 0.00 0.00 177.00 174.62 1hrj n ARG 21 N -1.87 0.15 -0.52 5.54 3.00 -1.26 -2.00 116.66 119.70 1hrj n ARG 21 Ca 0.15 0.42 0.09 0.00 -0.00 0.00 0.00 57.85 58.52 1hrj n ARG 21 Cb 0.48 -1.81 0.33 0.00 0.00 0.00 0.00 32.46 31.46 1hrj n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hrj n ALA 22 N -1.73 2.89 -0.26 5.13 0.00 -1.26 -4.15 120.51 121.14 1hrj n ALA 22 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1hrj n ALA 22 Cb 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1hrj n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hrj n HIS 23 N 1.16 0.00 -4.03 0.00 8.25 -0.85 -5.03 115.22 114.72 1hrj n HIS 23 Ca 0.24 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.44 1hrj n HIS 23 Cb 0.77 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.84 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 -0.24 1.99 0.00 1.59 1.01 -1.21 -0.74 121.20 123.60 1hrj s ILE 24 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1hrj s ILE 24 Cb 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1hrj s ILE 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 174.94 176.11 1hrj n LYS 25 N -1.47 0.00 -3.88 2.79 3.00 -0.29 -4.65 118.16 113.66 1hrj n LYS 25 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.18 1hrj n LYS 25 Cb 0.64 -0.78 0.01 0.00 0.00 0.00 0.00 35.03 34.90 1hrj n LYS 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1hrj s GLU 26 N -1.58 2.14 0.30 1.64 2.56 -1.05 -4.65 118.70 118.07 1hrj s GLU 26 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 54.97 53.50 1hrj s GLU 26 Cb 0.00 0.58 -0.04 0.00 2.00 0.00 0.00 34.13 36.67 1hrj s GLU 26 CO 0.00 -0.98 0.15 1.52 -0.56 0.00 0.00 175.26 175.39 1hrj s TYR 27 N -2.55 1.60 -0.49 5.30 1.13 -1.26 -0.62 117.35 120.46 1hrj s TYR 27 Ca 0.19 -1.34 0.07 0.00 -1.41 0.00 0.00 57.07 54.58 1hrj s TYR 27 Cb -0.04 -0.88 0.19 0.00 -1.10 0.00 0.00 41.96 40.13 1hrj s TYR 27 CO 0.13 -0.49 0.69 0.12 -2.51 0.00 0.00 175.55 173.50 1hrj s PHE 28 N -3.61 -1.49 0.25 -3.49 5.36 0.45 -4.81 117.98 110.63 1hrj s PHE 28 Ca 0.36 -0.51 -0.31 0.00 -0.96 0.00 0.00 56.93 55.50 1hrj s PHE 28 Cb 0.05 0.25 -0.14 0.00 -0.34 0.00 0.00 43.02 42.84 1hrj s PHE 28 CO 0.17 -1.24 1.33 0.98 -1.46 0.00 0.00 175.22 175.00 1hrj n TYR 29 N 3.22 1.98 -0.79 10.12 9.36 -1.26 -1.75 117.16 138.04 1hrj n TYR 29 Ca 0.17 0.51 -0.31 0.00 3.32 0.00 0.00 57.90 61.59 1hrj n TYR 29 Cb 0.56 -2.41 0.16 0.00 -0.63 0.00 0.00 39.34 37.01 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 -0.29 2.27 0.00 2.97 2.01 -1.01 -4.88 115.64 116.72 1hrj s THR 30 Ca 0.67 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1hrj s THR 30 Cb -0.67 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1hrj s THR 30 CO 0.52 -0.12 0.00 -0.24 -0.69 0.00 0.00 174.62 174.10 1hrj n SER 31 N -4.15 0.00 0.00 3.53 2.88 -1.26 -4.91 113.62 109.71 1hrj n SER 31 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1hrj n SER 31 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1hrj n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hrj n GLY 32 N 2.70 -1.87 0.00 0.46 0.00 -1.26 -5.05 105.19 100.18 1hrj n GLY 32 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1hrj n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hrj n LYS 33 N 0.00 0.00 0.00 1.61 2.85 -1.26 -5.00 118.16 116.36 1hrj n LYS 33 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1hrj n LYS 33 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1hrj n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hrj n SER 35 N -0.02 -4.63 -2.89 0.00 7.64 -1.26 -4.80 113.62 107.67 1hrj n SER 35 Ca 0.00 0.34 -0.12 0.00 1.01 0.00 0.00 58.87 60.10 1hrj n SER 35 Cb 0.22 -4.10 0.05 0.00 -1.01 0.00 0.00 64.21 59.36 1hrj n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hrj n ASN 36 N -1.18 -1.33 -4.69 6.43 3.02 -1.26 -5.09 115.26 111.15 1hrj n ASN 36 Ca -0.18 -3.44 -0.44 0.00 -0.03 0.00 0.00 54.58 50.49 1hrj n ASN 36 Cb 0.58 1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.79 1hrj n ASN 36 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1hrj n PRO 37 N 0.45 2.32 0.00 3.52 -0.02 -1.26 -4.63 135.00 135.37 1hrj n PRO 37 Ca 0.12 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1hrj n PRO 37 Cb 0.68 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 2.88 0.00 -3.56 3.55 0.00 -1.26 -4.56 120.51 117.56 1hrj n ALA 38 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1hrj n ALA 38 Cb 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.56 -0.02 -0.34 0.00 0.11 -1.25 -2.40 120.40 114.94 1hrj s VAL 39 Ca 0.00 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1hrj s VAL 39 Cb 0.00 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1hrj s VAL 39 CO 0.00 0.03 0.17 -0.69 -3.33 0.00 0.00 175.10 171.28 1hrj s VAL 40 N 0.98 4.46 -0.55 2.04 1.01 -0.72 -2.25 120.40 125.38 1hrj s VAL 40 Ca -0.07 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1hrj s VAL 40 Cb -0.07 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.99 1hrj s VAL 40 CO -0.07 -0.10 0.67 -0.36 0.00 0.00 0.00 175.10 175.23 1hrj s PHE 41 N 1.56 3.02 -0.81 5.22 0.40 -0.88 0.17 117.98 126.66 1hrj s PHE 41 Ca 0.03 -0.76 -0.25 0.00 -0.60 0.00 0.00 56.93 55.34 1hrj s PHE 41 Cb -0.18 -3.78 -0.04 0.00 0.51 0.00 0.00 43.02 39.52 1hrj s PHE 41 CO 0.06 -1.17 1.94 0.14 0.70 0.00 0.00 175.22 176.88 1hrj s VAL 42 N 2.66 3.40 0.12 -0.44 -7.23 0.21 -3.25 120.40 115.88 1hrj s VAL 42 Ca 0.13 -0.19 0.05 0.00 -1.81 0.00 0.00 61.98 60.17 1hrj s VAL 42 Cb -0.22 -3.95 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 1hrj s VAL 42 CO 0.09 -0.90 0.04 0.42 -0.31 0.00 0.00 175.10 174.44 1hrj s THR 43 N 9.91 4.14 0.00 5.32 -4.23 -1.24 -1.14 115.64 128.41 1hrj s THR 43 Ca 0.70 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1hrj s THR 43 Cb -0.09 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1hrj s THR 43 CO 0.06 0.02 0.00 0.54 -0.54 0.00 0.00 174.62 174.71 1hrj n ARG 44 N 0.21 0.00 -0.09 3.99 5.12 0.08 -1.21 116.66 124.75 1hrj n ARG 44 Ca -0.10 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.85 1hrj n ARG 44 Cb 0.53 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.90 1hrj n ARG 44 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1hrj n LYS 45 N 0.00 1.42 -1.43 5.56 3.00 -1.26 -4.83 118.16 120.61 1hrj n LYS 45 Ca 0.00 -0.60 -0.15 0.00 -0.00 0.00 0.00 58.31 57.56 1hrj n LYS 45 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 35.03 33.79 1hrj n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1hrj n ASN 46 N -0.01 -5.30 -4.72 3.14 4.13 -0.35 -4.92 115.26 107.24 1hrj n ASN 46 Ca 0.06 0.37 -0.42 0.00 1.68 0.00 0.00 54.58 56.27 1hrj n ASN 46 Cb 0.17 -4.11 -0.00 0.00 -1.54 0.00 0.00 39.78 34.29 1hrj n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1hrj n ARG 47 N -1.90 2.21 -2.06 3.52 1.74 -1.25 -4.54 116.66 114.38 1hrj n ARG 47 Ca -0.15 0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 57.36 1hrj n ARG 47 Cb 0.57 -2.41 -0.04 0.00 -1.02 0.00 0.00 32.46 29.57 1hrj n ARG 47 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1hrj s GLN 48 N -1.99 2.63 0.71 5.56 -0.21 -1.26 -3.62 119.66 121.49 1hrj s GLN 48 Ca 0.56 0.26 0.00 0.00 0.02 0.00 0.00 55.36 56.20 1hrj s GLN 48 Cb -0.54 -4.63 0.13 0.00 1.00 0.00 0.00 33.01 28.97 1hrj s GLN 48 CO 0.62 -2.93 0.98 0.08 -2.12 0.00 0.00 175.29 171.92 1hrj s VAL 49 N 9.28 2.11 0.32 1.09 1.01 -1.20 -4.93 120.40 128.08 1hrj s VAL 49 Ca 0.67 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1hrj s VAL 49 Cb -0.10 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1hrj s VAL 49 CO 0.13 0.00 0.13 0.00 0.00 0.00 0.00 175.10 175.36 1hrj n ALA 51 N -2.18 0.00 -1.38 0.00 0.00 -0.95 -4.27 120.51 111.73 1hrj n ALA 51 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1hrj n ALA 51 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -7.61 -0.06 0.00 2.85 -1.26 -4.71 115.26 104.47 1hrj n ASN 52 Ca 0.00 1.08 -0.03 0.00 -0.11 0.00 0.00 54.58 55.52 1hrj n ASN 52 Cb 0.00 -4.02 -0.01 0.00 1.24 0.00 0.00 39.78 37.00 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 1.47 0.00 -0.61 1.20 0.13 -1.80 -3.33 132.00 129.07 1hrj h PRO 53 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hrj h PRO 53 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1hrj h PRO 53 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 1hrj n GLU 54 N -4.62 1.92 -2.02 0.86 1.02 -1.26 -4.44 120.64 112.10 1hrj n GLU 54 Ca -0.04 -0.90 -0.42 0.00 -0.02 0.00 0.00 57.16 55.78 1hrj n GLU 54 Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1hrj n GLU 54 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1hrj s LYS 55 N -1.60 4.24 0.62 3.49 -0.14 -1.26 -4.82 119.74 120.27 1hrj s LYS 55 Ca 0.16 2.24 0.23 0.00 -1.36 0.00 0.00 55.97 57.24 1hrj s LYS 55 Cb 0.11 -3.37 1.03 0.00 -1.68 0.00 0.00 37.83 33.92 1hrj s LYS 55 CO 0.07 -0.61 1.52 0.87 -0.76 0.00 0.00 175.35 176.45 1hrj h LYS 56 N 7.42 0.00 0.08 1.68 1.57 -1.97 -1.24 116.57 124.11 1hrj h LYS 56 Ca -0.42 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.06 1hrj h LYS 56 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1hrj h LYS 56 CO 0.91 0.00 -1.60 0.11 -0.57 0.00 0.00 179.45 178.29 1hrj h TRP 57 N 0.00 0.30 -0.51 -1.35 5.08 -1.96 -3.24 115.95 114.27 1hrj h TRP 57 Ca 0.22 -0.22 0.09 0.00 1.08 0.00 0.00 58.89 60.07 1hrj h TRP 57 Cb 1.83 -0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 27.90 1hrj h TRP 57 CO 0.00 1.63 0.08 -0.39 -1.28 0.00 0.00 178.44 178.48 1hrj h VAL 58 N -0.40 0.68 0.00 0.12 -1.51 -1.51 0.24 116.25 113.87 1hrj h VAL 58 Ca -0.37 -0.07 -0.06 0.00 -1.23 0.00 0.00 66.70 64.97 1hrj h VAL 58 Cb 1.71 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1hrj h VAL 58 CO -0.03 0.04 -0.28 0.03 -1.23 0.00 0.00 177.57 176.10 1hrj h ARG 59 N 0.20 0.00 0.00 5.19 3.08 -1.72 -0.48 114.38 120.66 1hrj h ARG 59 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1hrj h ARG 59 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1hrj h ARG 59 CO -0.36 0.28 0.00 0.93 -1.07 0.00 0.00 179.97 179.75 1hrj h GLU 60 N 0.00 0.00 0.00 0.04 4.39 -0.65 -2.77 114.58 115.59 1hrj h GLU 60 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1hrj h GLU 60 Cb 0.53 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1hrj h GLU 60 CO 0.04 0.00 -1.59 0.66 -1.16 0.00 0.00 179.01 176.96 1hrj n TYR 61 N -3.04 0.75 0.20 4.33 4.02 0.02 -2.58 117.16 120.86 1hrj n TYR 61 Ca 0.02 0.25 0.07 0.00 -0.01 0.00 0.00 57.90 58.22 1hrj n TYR 61 Cb 0.37 -1.01 0.42 0.00 -0.02 0.00 0.00 39.34 39.11 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 0.88 0.00 -0.72 2.04 -0.86 -0.89 117.51 117.96 1hrj h ILE 62 Ca -0.19 -1.26 -0.30 0.00 1.00 0.00 0.00 64.86 64.11 1hrj h ILE 62 Cb 1.58 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 39.37 1hrj h ILE 62 CO 0.04 0.31 -2.25 0.59 0.00 0.00 0.00 178.15 176.83 1hrj n ASN 63 N -3.66 0.07 0.18 1.72 4.13 -1.13 -4.22 115.26 112.36 1hrj n ASN 63 Ca -0.01 0.03 0.12 0.00 1.68 0.00 0.00 54.58 56.41 1hrj n ASN 63 Cb 0.43 1.09 0.22 0.00 -1.54 0.00 0.00 39.78 39.98 1hrj n ASN 63 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1hrj h SER 64 N 0.00 0.00 -3.46 6.41 0.87 -1.44 -3.45 113.55 112.48 1hrj h SER 64 Ca -0.43 -0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.57 1hrj h SER 64 Cb 2.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 64.06 1hrj h SER 64 CO 0.03 0.00 0.66 0.18 -0.53 0.00 0.00 176.83 177.17 1hrj n LEU 65 N -2.86 4.05 -0.05 2.23 4.77 -0.35 -4.94 117.00 119.86 1hrj n LEU 65 Ca 0.04 1.20 -0.05 0.00 -0.03 0.00 0.00 56.01 57.17 1hrj n LEU 65 Cb 0.51 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1hrj n LEU 65 CO 0.33 -0.17 -0.40 1.21 -1.33 0.00 0.00 177.39 177.04 1hrj n GLU 66 N 0.88 0.31 0.12 3.23 2.13 -1.26 -5.04 120.64 121.02 1hrj n GLU 66 Ca 0.05 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1hrj n GLU 66 Cb 0.37 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.06 1hrj n GLU 66 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1hrj n MET 67 N -3.75 0.00 0.00 5.31 0.00 -1.26 -5.22 117.12 112.20 1hrj n MET 67 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.62 1hrj n MET 67 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.52 1hrj n MET 67 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84