#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhx s ALA 2 N 0.00 1.87 -0.48 -5.12 0.00 -1.26 -5.12 121.76 111.65 1rhx s ALA 2 Ca 0.00 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.23 1rhx s ALA 2 Cb 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.18 1rhx s ALA 2 CO 0.00 0.03 0.37 -0.51 0.00 0.00 0.00 175.76 175.65 1rhx s LEU 3 N -3.27 5.71 -0.67 0.00 1.02 -1.26 -4.94 118.68 115.27 1rhx s LEU 3 Ca 0.21 -1.77 0.04 0.00 0.02 0.00 0.00 54.13 52.64 1rhx s LEU 3 Cb 0.00 -2.07 0.30 0.00 0.02 0.00 0.00 46.19 44.44 1rhx s LEU 3 CO 0.05 -0.70 0.97 0.52 0.02 0.00 0.00 176.35 177.21 1rhx n VAL 4 N 5.01 3.18 -3.59 -1.59 0.31 -1.26 -3.57 118.33 116.82 1rhx n VAL 4 Ca -0.10 -5.50 -0.06 0.00 -0.01 0.00 0.00 64.34 58.67 1rhx n VAL 4 Cb 0.41 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 1rhx n VAL 4 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1rhx s LEU 5 N -3.10 -0.20 -0.40 7.52 0.05 -0.08 -4.70 118.68 117.78 1rhx s LEU 5 Ca 0.43 0.13 0.06 0.00 0.05 0.00 0.00 54.13 54.80 1rhx s LEU 5 Cb 0.21 1.49 0.31 0.00 -2.05 0.00 0.00 46.19 46.15 1rhx s LEU 5 CO -0.07 -0.24 1.23 0.55 -0.55 0.00 0.00 176.35 177.26 1rhx n VAL 6 N 0.29 0.00 -2.31 1.48 3.14 -1.26 -4.51 118.33 115.16 1rhx n VAL 6 Ca -0.03 -1.25 -0.04 0.00 -2.96 0.00 0.00 64.34 60.06 1rhx n VAL 6 Cb 0.59 1.20 0.07 0.00 -1.06 0.00 0.00 33.84 34.63 1rhx n VAL 6 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1rhx n LYS 7 N 0.06 1.76 -2.50 1.45 0.00 -1.26 -2.97 118.16 114.70 1rhx n LYS 7 Ca -0.02 -3.27 -0.00 0.00 -0.00 0.00 0.00 58.31 55.02 1rhx n LYS 7 Cb 0.74 -1.39 0.06 0.00 -0.00 0.00 0.00 35.03 34.44 1rhx n LYS 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1rhx n TYR 8 N -0.46 0.31 0.00 5.58 4.01 -1.26 -3.99 117.16 121.34 1rhx n TYR 8 Ca 0.18 -1.71 0.00 0.00 -0.16 0.00 0.00 57.90 56.21 1rhx n TYR 8 Cb 0.91 0.19 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 1rhx n TYR 8 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rhx n GLY 9 N -0.60 1.56 2.62 2.72 0.00 -1.22 -4.38 105.19 105.89 1rhx n GLY 9 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1rhx n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rhx n THR 10 N 0.00 2.75 -2.15 2.61 -2.24 -1.26 -4.02 114.28 109.97 1rhx n THR 10 Ca 0.00 -5.03 -0.11 0.00 -2.27 0.00 0.00 64.05 56.63 1rhx n THR 10 Cb 0.00 -1.30 0.06 0.00 -2.10 0.00 0.00 70.33 66.99 1rhx n THR 10 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rhx n ASP 11 N -0.43 3.30 -3.63 3.42 5.75 -1.26 -5.04 116.55 118.67 1rhx n ASP 11 Ca 0.39 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 1rhx n ASP 11 Cb 0.55 -0.40 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 1rhx n ASP 11 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1rhx s HIS 12 N -3.30 0.02 0.70 2.11 -3.43 -1.26 -4.48 115.29 105.64 1rhx s HIS 12 Ca 0.42 -0.24 -0.11 0.00 -0.80 0.00 0.00 55.06 54.33 1rhx s HIS 12 Cb 0.38 0.61 0.01 0.00 -1.43 0.00 0.00 32.58 32.15 1rhx s HIS 12 CO -0.01 -0.52 1.09 -1.25 -2.00 0.00 0.00 174.74 172.04 1rhx s PRO 13 N -2.21 2.90 0.00 -0.38 0.04 -1.26 -4.24 135.00 129.85 1rhx s PRO 13 Ca 0.23 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1rhx s PRO 13 Cb -0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1rhx s PRO 13 CO 0.01 -1.00 0.00 0.28 0.04 0.00 0.00 177.00 176.33 1rhx n VAL 14 N -2.98 0.00 -2.55 -0.36 0.31 -1.26 -4.76 118.33 106.74 1rhx n VAL 14 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 1rhx n VAL 14 Cb 0.57 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.53 1rhx n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rhx n GLU 15 N 0.00 0.82 0.03 5.55 1.02 -1.26 -3.86 120.64 122.94 1rhx n GLU 15 Ca 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.02 1rhx n GLU 15 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1rhx n GLU 15 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1rhx n LYS 16 N -0.36 0.00 0.16 3.49 3.00 -1.26 -4.53 118.16 118.65 1rhx n LYS 16 Ca -0.05 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.43 1rhx n LYS 16 Cb 0.90 0.00 0.77 0.00 0.00 0.00 0.00 35.03 36.70 1rhx n LYS 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1rhx h LEU 17 N 0.00 0.00 -0.68 3.14 7.12 -1.92 0.22 115.31 123.18 1rhx h LEU 17 Ca 0.00 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.06 1rhx h LEU 17 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.08 1rhx h LEU 17 CO 0.00 0.00 0.40 0.07 -0.13 0.00 0.00 178.44 178.78 1rhx h LYS 18 N 0.00 0.72 -0.04 1.25 -0.00 -1.82 -1.77 116.57 114.91 1rhx h LYS 18 Ca 0.12 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.65 60.69 1rhx h LYS 18 Cb 0.60 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 32.66 1rhx h LYS 18 CO -0.00 0.48 -0.17 0.97 -0.00 0.00 0.00 179.45 180.72 1rhx h ILE 19 N 0.74 1.15 -0.00 0.07 2.10 -0.89 0.28 117.51 120.95 1rhx h ILE 19 Ca 0.30 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1rhx h ILE 19 Cb 0.15 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1rhx h ILE 19 CO -0.16 0.20 -0.02 0.54 -1.08 0.00 0.00 178.15 177.63 1rhx n ARG 20 N -4.30 0.67 0.00 2.19 3.00 -0.69 -4.67 116.66 112.85 1rhx n ARG 20 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.85 57.75 1rhx n ARG 20 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.22 1rhx n ARG 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1rhx n SER 21 N -1.11 0.00 -3.64 0.55 2.88 -0.21 -5.10 113.62 106.99 1rhx n SER 21 Ca 0.17 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 1rhx n SER 21 Cb 0.21 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.66 1rhx n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rhx s ALA 22 N 0.00 -1.82 0.12 -1.46 0.00 0.81 -4.54 121.76 114.87 1rhx s ALA 22 Ca 0.00 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1rhx s ALA 22 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1rhx s ALA 22 CO 0.00 -0.88 0.08 1.17 0.00 0.00 0.00 175.76 176.13 1rhx n LYS 23 N -0.36 0.34 0.11 0.00 3.00 -1.26 -4.86 118.16 115.12 1rhx n LYS 23 Ca -0.07 -1.18 -0.03 0.00 -0.00 0.00 0.00 58.31 57.03 1rhx n LYS 23 Cb 0.61 0.87 0.12 0.00 0.00 0.00 0.00 35.03 36.63 1rhx n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rhx h ALA 24 N 1.33 0.86 -0.05 3.14 0.00 -1.98 -3.29 119.26 119.28 1rhx h ALA 24 Ca -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1rhx h ALA 24 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rhx h ALA 24 CO 0.14 0.81 0.04 -0.85 0.00 0.00 0.00 179.25 179.38 1rhx n GLU 25 N -3.78 1.08 -4.40 0.00 -0.00 -1.26 -3.93 120.64 108.34 1rhx n GLU 25 Ca -0.02 -0.16 -0.24 0.00 -0.00 0.00 0.00 57.16 56.74 1rhx n GLU 25 Cb 0.66 -1.06 -0.09 0.00 -0.00 0.00 0.00 31.44 30.94 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1rhx s ASP 26 N 1.35 3.99 -0.05 -1.84 -1.08 -1.24 -5.01 116.67 112.79 1rhx s ASP 26 Ca 0.03 -0.96 0.02 0.00 -0.52 0.00 0.00 52.55 51.12 1rhx s ASP 26 Cb 0.03 -0.49 0.02 0.00 -1.46 0.00 0.00 42.92 41.01 1rhx s ASP 26 CO 0.00 -0.08 -0.08 -0.54 0.52 0.00 0.00 175.17 174.99 1rhx s LYS 27 N -3.62 1.21 0.10 4.34 1.02 -1.26 -1.93 119.74 119.59 1rhx s LYS 27 Ca 0.32 -0.25 -0.18 0.00 0.02 0.00 0.00 55.97 55.88 1rhx s LYS 27 Cb -0.03 -1.08 0.04 0.00 -0.52 0.00 0.00 37.83 36.24 1rhx s LYS 27 CO 0.18 -0.03 0.43 0.42 -0.92 0.00 0.00 175.35 175.44 1rhx s ILE 28 N 0.77 0.06 -0.00 2.17 1.01 -1.07 -4.80 121.20 119.34 1rhx s ILE 28 Ca -0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1rhx s ILE 28 Cb -0.15 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.26 1rhx s ILE 28 CO 0.02 -0.25 0.24 -0.69 0.00 0.00 0.00 174.94 174.25 1rhx s VAL 29 N -3.27 0.07 0.05 2.92 1.01 -1.26 -3.64 120.40 116.29 1rhx s VAL 29 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1rhx s VAL 29 Cb 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1rhx s VAL 29 CO -0.08 -0.33 -0.02 -0.76 0.00 0.00 0.00 175.10 173.91 1rhx s LEU 30 N -1.45 3.39 0.33 3.92 1.43 -0.57 -4.83 118.68 120.90 1rhx s LEU 30 Ca -0.13 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1rhx s LEU 30 Cb -0.06 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1rhx s LEU 30 CO 0.02 0.22 0.19 0.27 0.23 0.00 0.00 176.35 177.29 1rhx s ILE 31 N -1.19 0.25 0.00 -0.59 -4.36 -1.16 -1.33 121.20 112.82 1rhx s ILE 31 Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1rhx s ILE 31 Cb -0.11 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1rhx s ILE 31 CO 0.14 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.32 1rhx n GLN 32 N -0.65 0.00 0.08 0.37 1.13 -1.26 0.13 117.38 117.18 1rhx n GLN 32 Ca 0.02 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1rhx n GLN 32 Cb 0.64 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.95 1rhx n GLN 32 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1rhx h ASN 33 N 0.00 0.30 0.00 1.08 2.35 -1.80 -3.20 115.58 114.31 1rhx h ASN 33 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1rhx h ASN 33 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1rhx h ASN 33 CO 0.00 1.08 0.70 1.23 -1.65 0.00 0.00 177.43 178.79 1rhx h GLY 34 N 1.80 0.00 0.11 2.83 0.00 -0.30 -1.09 103.07 106.42 1rhx h GLY 34 Ca -0.06 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.52 1rhx h GLY 34 CO 0.15 0.00 0.71 -0.39 0.00 0.00 0.00 176.54 177.00 1rhx h VAL 35 N 0.00 0.39 -0.05 4.60 -1.51 -1.21 -1.28 116.25 117.19 1rhx h VAL 35 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 1rhx h VAL 35 Cb 1.39 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1rhx h VAL 35 CO 0.00 0.00 0.34 -0.26 -1.23 0.00 0.00 177.57 176.42 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.41 -1.49 116.94 118.24 1rhx h PHE 36 Ca 0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.18 1rhx h PHE 36 Cb 1.81 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.37 1rhx h PHE 36 CO 0.00 0.00 0.00 -1.49 -1.61 0.00 0.00 178.31 175.21 1rhx h TRP 37 N 0.00 0.00 -0.16 -0.55 4.06 -1.36 -3.18 115.95 114.76 1rhx h TRP 37 Ca 0.03 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.87 1rhx h TRP 37 Cb 0.71 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.82 1rhx h TRP 37 CO 0.00 0.00 0.13 0.00 -3.56 0.00 0.00 178.44 175.01 1rhx n ALA 38 N -1.96 4.11 0.00 1.49 0.00 -0.56 -3.76 120.51 119.83 1rhx n ALA 38 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1rhx n ALA 38 Cb 0.29 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1rhx n ALA 38 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1rhx n LEU 39 N 0.96 0.00 -4.55 0.00 -0.00 -1.20 -0.30 117.00 111.91 1rhx n LEU 39 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.85 1rhx n LEU 39 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.88 1rhx n LEU 39 CO 0.12 0.00 -0.24 -1.61 -0.00 0.00 0.00 177.39 175.66 1rhx s GLU 40 N 0.00 1.90 -0.49 1.47 0.41 -1.25 -5.00 118.70 115.74 1rhx s GLU 40 Ca 0.00 -2.13 0.08 0.00 -0.41 0.00 0.00 54.97 52.51 1rhx s GLU 40 Cb 0.00 -0.98 0.34 0.00 -1.78 0.00 0.00 34.13 31.71 1rhx s GLU 40 CO 0.00 -0.32 0.86 -0.85 -0.49 0.00 0.00 175.26 174.46 1rhx n GLU 41 N -0.92 2.29 0.00 1.61 0.28 -1.26 -4.99 120.64 117.65 1rhx n GLU 41 Ca -0.07 -4.24 0.00 0.00 -0.16 0.00 0.00 57.16 52.69 1rhx n GLU 41 Cb 0.66 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.52 1rhx n GLU 41 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1rhx n LEU 42 N -0.03 0.00 -3.73 -1.84 -0.00 -1.26 -5.08 117.00 105.06 1rhx n LEU 42 Ca 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.20 1rhx n LEU 42 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.87 1rhx n LEU 42 CO 0.29 0.00 0.08 -1.83 -0.00 0.00 0.00 177.39 175.92 1rhx s GLU 43 N 3.28 1.03 -0.02 1.96 4.04 -1.26 -5.07 118.70 122.66 1rhx s GLU 43 Ca 0.00 -0.83 -0.00 0.00 0.04 0.00 0.00 54.97 54.18 1rhx s GLU 43 Cb 0.00 0.43 0.03 0.00 0.02 0.00 0.00 34.13 34.61 1rhx s GLU 43 CO 0.00 -0.39 0.03 -0.08 -1.84 0.00 0.00 175.26 172.98 1rhx s THR 44 N -3.84 -0.05 -1.47 1.83 -1.32 -1.25 -4.30 115.64 105.23 1rhx s THR 44 Ca 0.05 0.20 0.27 0.00 -1.21 0.00 0.00 61.69 61.00 1rhx s THR 44 Cb 0.03 -0.08 0.30 0.00 -1.51 0.00 0.00 72.50 71.24 1rhx s THR 44 CO -0.10 0.08 1.71 -0.81 -2.21 0.00 0.00 174.62 173.29 1rhx n PRO 45 N 4.08 0.51 -1.79 7.08 -0.04 -1.26 -4.98 135.00 138.60 1rhx n PRO 45 Ca -0.26 -0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.68 1rhx n PRO 45 Cb 0.51 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 1rhx n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rhx s ALA 46 N -2.64 2.29 0.18 0.55 0.00 -1.24 -4.57 121.76 116.33 1rhx s ALA 46 Ca 0.23 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1rhx s ALA 46 Cb 0.19 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1rhx s ALA 46 CO 0.54 -2.03 0.98 -1.59 0.00 0.00 0.00 175.76 173.66 1rhx s LYS 47 N -5.55 4.75 -0.02 0.00 -2.85 -0.81 -4.96 119.74 110.29 1rhx s LYS 47 Ca 0.65 1.52 0.01 0.00 -1.00 0.00 0.00 55.97 57.14 1rhx s LYS 47 Cb -0.11 -3.32 0.01 0.00 -2.06 0.00 0.00 37.83 32.35 1rhx s LYS 47 CO 0.51 0.32 -0.03 0.14 0.10 0.00 0.00 175.35 176.39 1rhx s VAL 48 N -0.54 0.29 0.13 1.79 -7.23 -1.26 -2.61 120.40 110.96 1rhx s VAL 48 Ca 0.45 -0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.39 1rhx s VAL 48 Cb -0.25 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.42 1rhx s VAL 48 CO 0.32 0.12 0.38 -0.31 -0.31 0.00 0.00 175.10 175.29 1rhx s TYR 49 N 0.36 -0.13 0.01 2.82 2.02 -1.24 -4.39 117.35 116.80 1rhx s TYR 49 Ca -0.04 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1rhx s TYR 49 Cb -0.07 0.22 -0.01 0.00 -0.40 0.00 0.00 41.96 41.70 1rhx s TYR 49 CO -0.01 -0.70 -0.02 0.00 -1.57 0.00 0.00 175.55 173.26 1rhx s ALA 50 N -3.82 0.11 -0.43 3.71 0.00 -0.51 -1.51 121.76 119.31 1rhx s ALA 50 Ca 0.04 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 1rhx s ALA 50 Cb 0.02 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1rhx s ALA 50 CO -0.11 -0.07 1.16 0.42 0.00 0.00 0.00 175.76 177.16 1rhx s ILE 51 N -0.77 4.24 0.10 0.00 -1.09 -0.44 -0.38 121.20 122.84 1rhx s ILE 51 Ca -0.08 1.30 -0.25 0.00 -2.23 0.00 0.00 60.65 59.40 1rhx s ILE 51 Cb -0.05 -4.52 -0.13 0.00 -1.58 0.00 0.00 42.46 36.18 1rhx s ILE 51 CO -0.00 -0.86 1.70 0.50 -1.23 0.00 0.00 174.94 175.04 1rhx h LYS 52 N 9.13 -0.22 -0.59 2.79 3.64 -1.20 -0.88 116.57 129.24 1rhx h LYS 52 Ca -0.23 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1rhx h LYS 52 Cb 1.07 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.84 1rhx h LYS 52 CO 1.10 -0.15 0.03 -0.44 -2.27 0.00 0.00 179.45 177.72 1rhx h ASP 53 N -0.23 -0.21 -0.10 4.20 3.32 -1.92 0.35 116.42 121.83 1rhx h ASP 53 Ca 0.00 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1rhx h ASP 53 Cb 0.22 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1rhx h ASP 53 CO -0.02 -0.08 0.05 0.44 -1.72 0.00 0.00 179.24 177.90 1rhx h ASP 54 N 0.14 0.14 -0.67 6.45 3.32 -1.88 0.89 116.42 124.81 1rhx h ASP 54 Ca 0.31 -0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.34 1rhx h ASP 54 Cb 0.48 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 1rhx h ASP 54 CO -0.48 0.22 0.26 0.15 -1.72 0.00 0.00 179.24 177.67 1rhx h PHE 55 N 0.04 0.46 -0.14 4.55 3.57 -0.30 0.06 116.94 125.18 1rhx h PHE 55 Ca 0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1rhx h PHE 55 Cb 0.12 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1rhx h PHE 55 CO -0.03 0.10 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.76 1rhx h LEU 56 N 0.44 0.28 -0.10 0.59 3.38 -0.79 -0.98 115.31 118.13 1rhx h LEU 56 Ca 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1rhx h LEU 56 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1rhx h LEU 56 CO -0.34 0.59 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1rhx n ALA 57 N -2.48 2.60 -2.43 1.53 0.00 0.29 -3.81 120.51 116.22 1rhx n ALA 57 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1rhx n ALA 57 Cb 0.42 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.63 1rhx n ALA 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rhx n ARG 58 N -0.69 2.21 -3.64 0.00 0.00 -0.15 -5.01 116.66 109.39 1rhx n ARG 58 Ca 0.14 -3.58 -0.29 0.00 -0.00 0.00 0.00 57.85 54.12 1rhx n ARG 58 Cb 0.09 -1.68 0.04 0.00 0.00 0.00 0.00 32.46 30.90 1rhx n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rhx n GLY 59 N -0.57 -1.03 3.34 5.14 0.00 -1.18 -4.97 105.19 105.93 1rhx n GLY 59 Ca 0.21 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 1rhx n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rhx s TYR 60 N -3.41 1.60 0.30 1.61 2.02 -1.15 -5.05 117.35 113.27 1rhx s TYR 60 Ca 0.44 -1.22 0.11 0.00 -0.37 0.00 0.00 57.07 56.02 1rhx s TYR 60 Cb -0.15 -0.93 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 1rhx s TYR 60 CO 0.85 -0.35 -0.11 0.45 -1.57 0.00 0.00 175.55 174.82 1rhx s SER 61 N -3.36 3.88 0.00 2.29 0.15 -1.26 -4.60 113.70 110.80 1rhx s SER 61 Ca 0.36 -0.99 0.09 0.00 0.70 0.00 0.00 55.95 56.11 1rhx s SER 61 Cb 0.07 -0.44 0.39 0.00 -1.71 0.00 0.00 66.02 64.33 1rhx s SER 61 CO 0.15 -0.06 1.26 -0.62 1.20 0.00 0.00 173.24 175.16 1rhx n GLU 62 N -0.76 0.02 0.02 5.44 1.02 -1.26 -1.22 120.64 123.90 1rhx n GLU 62 Ca -0.05 0.32 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1rhx n GLU 62 Cb 0.61 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.62 1rhx n GLU 62 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1rhx n GLU 63 N -1.46 0.18 0.02 3.49 4.07 -1.26 -4.41 120.64 121.27 1rhx n GLU 63 Ca 0.02 0.01 -0.19 0.00 -0.06 0.00 0.00 57.16 56.95 1rhx n GLU 63 Cb 0.10 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 29.80 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rhx h ASP 64 N 0.00 0.77 -4.36 4.31 5.19 -1.57 -3.47 116.42 117.29 1rhx h ASP 64 Ca 0.00 -0.72 -0.51 0.00 -0.62 0.00 0.00 57.03 55.18 1rhx h ASP 64 Cb 0.65 -0.23 0.07 0.00 0.18 0.00 0.00 39.33 39.99 1rhx h ASP 64 CO 0.00 1.39 0.41 -0.94 -3.12 0.00 0.00 179.24 176.98 1rhx s SER 65 N -7.04 5.93 -0.34 6.45 1.04 -1.26 -4.98 113.70 113.51 1rhx s SER 65 Ca -0.11 1.43 0.07 0.00 0.48 0.00 0.00 55.95 57.81 1rhx s SER 65 Cb 0.06 -2.41 0.46 0.00 0.10 0.00 0.00 66.02 64.23 1rhx s SER 65 CO 0.88 -1.06 1.38 2.29 0.98 0.00 0.00 173.24 177.71 1rhx n LYS 66 N -2.87 2.83 -4.08 4.02 2.85 0.59 -4.99 118.16 116.52 1rhx n LYS 66 Ca 0.06 -3.72 -0.11 0.00 -1.05 0.00 0.00 58.31 53.49 1rhx n LYS 66 Cb 0.54 -2.10 -0.07 0.00 -0.65 0.00 0.00 35.03 32.76 1rhx n LYS 66 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1rhx s VAL 67 N -4.17 0.00 0.02 0.58 -7.23 -1.26 -4.89 120.40 103.45 1rhx s VAL 67 Ca 0.50 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1rhx s VAL 67 Cb 0.42 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 1rhx s VAL 67 CO 0.01 0.00 1.15 -2.16 -0.31 0.00 0.00 175.10 173.79 1rhx s PRO 68 N -3.95 4.44 -0.62 4.82 0.04 -1.26 -4.95 135.00 133.53 1rhx s PRO 68 Ca 0.29 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 1rhx s PRO 68 Cb 0.02 -3.41 0.13 0.00 0.04 0.00 0.00 34.50 31.27 1rhx s PRO 68 CO 0.12 -0.25 0.66 -0.51 0.04 0.00 0.00 177.00 177.06 1rhx s LEU 69 N 1.29 5.80 0.53 -3.56 1.43 -1.26 -1.42 118.68 121.49 1rhx s LEU 69 Ca 0.57 -1.73 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 1rhx s LEU 69 Cb -0.27 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.73 1rhx s LEU 69 CO 0.27 -0.97 0.74 0.27 0.23 0.00 0.00 176.35 176.89 1rhx s ILE 70 N 2.03 2.64 0.48 -0.59 -4.36 0.49 -4.71 121.20 117.19 1rhx s ILE 70 Ca 0.10 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.71 1rhx s ILE 70 Cb -0.24 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.67 1rhx s ILE 70 CO 0.03 0.00 0.68 0.42 0.24 0.00 0.00 174.94 176.31 1rhx s THR 71 N -2.66 3.08 0.25 8.37 -4.23 -1.26 -0.71 115.64 118.47 1rhx s THR 71 Ca 0.58 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1rhx s THR 71 Cb -0.09 -3.11 0.22 0.00 1.34 0.00 0.00 72.50 70.86 1rhx s THR 71 CO 0.37 -0.07 1.75 1.88 -0.54 0.00 0.00 174.62 178.02 1rhx h TYR 72 N 0.33 0.64 0.00 3.99 0.05 -1.97 -1.30 116.97 118.71 1rhx h TYR 72 Ca -0.42 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.35 1rhx h TYR 72 Cb 1.28 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 1rhx h TYR 72 CO 0.39 0.15 -0.18 0.77 -1.05 0.00 0.00 178.16 178.24 1rhx h SER 73 N 0.55 0.00 0.28 3.88 0.02 -2.00 -1.93 113.55 114.36 1rhx h SER 73 Ca 0.42 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.17 1rhx h SER 73 Cb 0.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1rhx h SER 73 CO -0.36 0.18 -0.81 -0.33 -1.14 0.00 0.00 176.83 174.38 1rhx h GLU 74 N 0.00 0.41 -0.77 3.45 5.08 -1.64 -3.05 114.58 118.06 1rhx h GLU 74 Ca -0.00 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1rhx h GLU 74 Cb 0.37 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1rhx h GLU 74 CO 0.02 1.02 0.46 0.35 -1.00 0.00 0.00 179.01 179.87 1rhx h PHE 75 N 0.26 1.02 -0.42 4.33 3.57 -0.96 -2.92 116.94 121.83 1rhx h PHE 75 Ca -0.05 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1rhx h PHE 75 Cb 1.41 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1rhx h PHE 75 CO 0.05 0.68 0.19 0.82 -2.23 0.00 0.00 178.31 177.83 1rhx h ILE 76 N 1.05 0.95 -0.88 1.41 1.08 -1.29 -1.89 117.51 117.94 1rhx h ILE 76 Ca 0.28 -0.13 0.17 0.00 -0.39 0.00 0.00 64.86 64.78 1rhx h ILE 76 Cb -0.03 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.17 1rhx h ILE 76 CO -0.05 0.07 0.57 -0.78 -0.69 0.00 0.00 178.15 177.27 1rhx h ASP 77 N 0.39 0.55 0.58 1.72 1.82 -1.41 0.07 116.42 120.14 1rhx h ASP 77 Ca 0.18 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1rhx h ASP 77 Cb 0.11 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1rhx h ASP 77 CO -0.14 0.25 -0.31 -0.07 -1.61 0.00 0.00 179.24 177.36 1rhx h LEU 78 N 0.57 0.00 0.00 2.28 3.38 -1.30 -3.37 115.31 116.86 1rhx h LEU 78 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1rhx h LEU 78 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1rhx h LEU 78 CO -0.20 0.31 0.00 0.18 0.09 0.00 0.00 178.44 178.82 1rhx n LEU 79 N -3.73 0.00 -3.56 1.67 4.77 0.00 -4.66 117.00 111.49 1rhx n LEU 79 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1rhx n LEU 79 Cb 0.41 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1rhx n LEU 79 CO 0.36 0.00 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.67 1rhx n GLU 80 N 0.00 -0.75 0.00 3.23 -0.58 -1.16 -0.78 120.64 120.60 1rhx n GLU 80 Ca 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1rhx n GLU 80 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1rhx n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rhx n GLY 81 N -1.37 2.48 2.76 0.62 0.00 -1.26 -4.98 105.19 103.45 1rhx n GLY 81 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1rhx n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rhx n GLU 82 N -1.39 3.79 -1.46 1.61 -0.58 0.04 -4.89 120.64 117.75 1rhx n GLU 82 Ca 0.00 -4.24 -0.40 0.00 -0.42 0.00 0.00 57.16 52.10 1rhx n GLU 82 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 31.44 28.52 1rhx n GLU 82 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1rhx n GLU 83 N -0.34 3.42 -2.34 3.49 0.28 -1.26 -4.30 120.64 119.59 1rhx n GLU 83 Ca 0.46 -2.35 0.00 0.00 -0.16 0.00 0.00 57.16 55.11 1rhx n GLU 83 Cb 0.33 -2.97 0.04 0.00 1.43 0.00 0.00 31.44 30.28 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rhx n LYS 84 N 4.43 1.29 -1.56 3.44 4.01 -1.26 -4.89 118.16 123.62 1rhx n LYS 84 Ca 0.70 -3.08 -0.00 0.00 -0.51 0.00 0.00 58.31 55.41 1rhx n LYS 84 Cb 0.29 -1.15 0.01 0.00 -0.51 0.00 0.00 35.03 33.66 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1rhx n PHE 85 N -0.28 -0.11 -1.96 2.13 -1.74 -1.23 -4.50 117.46 109.76 1rhx n PHE 85 Ca 0.09 -0.09 -0.29 0.00 -0.56 0.00 0.00 57.45 56.60 1rhx n PHE 85 Cb 0.91 0.60 0.10 0.00 1.52 0.00 0.00 39.48 42.62 1rhx n PHE 85 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1rhx s ILE 86 N 0.01 2.04 0.00 1.97 1.09 -1.23 -4.31 121.20 120.76 1rhx s ILE 86 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.51 1rhx s ILE 86 Cb 0.02 -2.99 0.00 0.00 -1.06 0.00 0.00 42.46 38.43 1rhx s ILE 86 CO -0.01 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.44