#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 3.01 -0.45 3.17 0.00 -1.26 -5.09 121.76 121.14 1rhx s ALA 2 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1rhx s ALA 2 Cb 0.00 -2.69 0.14 0.00 0.00 0.00 0.00 23.12 20.57 1rhx s ALA 2 CO 0.00 -1.43 0.25 -0.51 0.00 0.00 0.00 175.76 174.06 1rhx s LEU 3 N -5.35 2.90 -0.51 0.00 1.43 -1.26 -5.02 118.68 110.87 1rhx s LEU 3 Ca 0.61 -2.71 0.07 0.00 -1.03 0.00 0.00 54.13 51.08 1rhx s LEU 3 Cb -0.10 -1.10 0.26 0.00 0.03 0.00 0.00 46.19 45.27 1rhx s LEU 3 CO 0.46 -0.26 0.66 0.52 0.23 0.00 0.00 176.35 177.97 1rhx n VAL 4 N 3.45 0.96 0.00 -1.59 0.31 -1.25 -3.53 118.33 116.67 1rhx n VAL 4 Ca 0.09 -4.69 0.00 0.00 -0.01 0.00 0.00 64.34 59.73 1rhx n VAL 4 Cb 0.34 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1rhx n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rhx n LEU 5 N 0.99 0.00 -2.70 7.52 -0.00 -0.65 -4.56 117.00 117.60 1rhx n LEU 5 Ca 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.20 1rhx n LEU 5 Cb 0.47 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1rhx n LEU 5 CO 0.30 0.00 0.07 0.55 -0.00 0.00 0.00 177.39 178.31 1rhx n VAL 6 N -0.27 0.78 -2.05 1.47 3.14 -1.26 -4.62 118.33 115.51 1rhx n VAL 6 Ca 0.00 -2.59 -0.12 0.00 -2.96 0.00 0.00 64.34 58.66 1rhx n VAL 6 Cb 0.00 0.86 0.07 0.00 -1.06 0.00 0.00 33.84 33.71 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 -0.35 2.72 -2.38 1.45 0.00 -1.26 -2.86 118.16 115.48 1rhx n LYS 7 Ca 0.05 -3.77 0.00 0.00 -0.00 0.00 0.00 58.31 54.59 1rhx n LYS 7 Cb 0.83 -1.92 0.05 0.00 -0.00 0.00 0.00 35.03 33.98 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 -0.73 0.40 0.00 5.58 4.01 -1.26 -4.30 117.16 120.86 1rhx n TYR 8 Ca 0.31 -1.58 0.00 0.00 -0.16 0.00 0.00 57.90 56.47 1rhx n TYR 8 Cb 0.89 0.09 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 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 -0.43 0.59 3.21 2.72 0.00 -1.20 -4.61 105.19 105.46 1rhx n GLY 9 Ca 0.01 0.63 -0.44 0.00 0.00 0.00 0.00 46.02 46.23 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 4.49 -2.67 2.61 -2.24 -1.26 -4.16 114.28 111.04 1rhx n THR 10 Ca 0.00 -4.92 -0.01 0.00 -2.27 0.00 0.00 64.05 56.85 1rhx n THR 10 Cb 0.00 -2.40 0.07 0.00 -2.10 0.00 0.00 70.33 65.90 1rhx n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rhx n ASP 11 N 4.02 0.00 -3.47 3.42 2.03 -1.26 -5.13 116.55 116.16 1rhx n ASP 11 Ca 0.34 -2.10 -0.03 0.00 0.52 0.00 0.00 54.79 53.51 1rhx n ASP 11 Cb 0.39 0.10 0.01 0.00 -0.72 0.00 0.00 41.12 40.90 1rhx n ASP 11 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1rhx s HIS 12 N -1.51 0.01 0.66 -0.67 -3.43 -1.26 -4.84 115.29 104.25 1rhx s HIS 12 Ca 0.18 -0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 53.94 1rhx s HIS 12 Cb 0.36 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 32.17 1rhx s HIS 12 CO -0.09 -0.89 1.06 -1.25 -2.00 0.00 0.00 174.74 171.57 1rhx s PRO 13 N -2.49 3.30 0.00 -0.38 0.04 -1.26 -4.14 135.00 130.06 1rhx s PRO 13 Ca 0.19 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1rhx s PRO 13 Cb -0.02 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1rhx s PRO 13 CO 0.04 -0.76 0.00 0.28 0.04 0.00 0.00 177.00 176.60 1rhx n VAL 14 N -2.86 0.00 -2.74 -0.36 0.31 -1.26 -4.79 118.33 106.63 1rhx n VAL 14 Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.37 1rhx n VAL 14 Cb 0.55 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.57 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 1.47 0.00 5.55 1.02 -1.26 -3.26 120.64 124.16 1rhx n GLU 15 Ca 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 1rhx n GLU 15 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.90 0.00 -0.01 3.49 3.00 -1.26 -4.68 118.16 117.80 1rhx n LYS 16 Ca -0.03 0.00 0.21 0.00 -0.00 0.00 0.00 58.31 58.49 1rhx n LYS 16 Cb 0.84 0.00 0.70 0.00 0.00 0.00 0.00 35.03 36.57 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 -0.82 3.14 7.12 -1.91 0.13 115.31 122.96 1rhx h LEU 17 Ca 0.00 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.16 1rhx h LEU 17 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.03 1rhx h LEU 17 CO 0.00 0.00 0.38 0.07 -0.13 0.00 0.00 178.44 178.76 1rhx h LYS 18 N 0.00 0.51 -0.30 1.25 5.09 -1.83 0.26 116.57 121.55 1rhx h LYS 18 Ca 0.26 -0.03 -0.10 0.00 0.09 0.00 0.00 60.65 60.87 1rhx h LYS 18 Cb 1.09 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.29 1rhx h LYS 18 CO -0.00 0.34 -0.23 0.82 -2.09 0.00 0.00 179.45 178.28 1rhx h ILE 19 N 0.53 1.27 -0.22 0.07 2.04 -1.10 0.18 117.51 120.27 1rhx h ILE 19 Ca 0.46 -1.28 -0.20 0.00 1.00 0.00 0.00 64.86 64.84 1rhx h ILE 19 Cb 0.70 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1rhx h ILE 19 CO -0.40 0.41 -0.66 0.03 0.00 0.00 0.00 178.15 177.54 1rhx h ARG 20 N 0.51 0.84 -1.51 2.37 -0.00 -1.32 -3.42 114.38 111.85 1rhx h ARG 20 Ca 0.08 -0.60 -0.17 0.00 -0.50 0.00 0.00 59.98 58.79 1rhx h ARG 20 Cb 0.68 0.10 -0.26 0.00 0.00 0.00 0.00 29.97 30.49 1rhx h ARG 20 CO 0.05 1.22 -0.53 0.45 0.00 0.00 0.00 179.97 181.16 1rhx s SER 21 N -7.03 -0.14 0.25 7.04 0.15 0.81 -5.12 113.70 109.66 1rhx s SER 21 Ca -0.10 -0.64 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 1rhx s SER 21 Cb 0.09 1.30 0.06 0.00 -1.71 0.00 0.00 66.02 65.77 1rhx s SER 21 CO 0.90 -0.29 0.91 0.00 1.20 0.00 0.00 173.24 175.96 1rhx s ALA 22 N 2.20 -1.29 0.29 5.45 0.00 0.60 -4.15 121.76 124.86 1rhx s ALA 22 Ca 0.13 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.75 1rhx s ALA 22 Cb -0.11 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1rhx s ALA 22 CO -0.19 -1.03 0.18 1.17 0.00 0.00 0.00 175.76 175.89 1rhx n LYS 23 N -0.58 0.44 -0.03 0.00 3.00 -1.26 -4.93 118.16 114.80 1rhx n LYS 23 Ca -0.05 -2.70 -0.04 0.00 -0.00 0.00 0.00 58.31 55.52 1rhx n LYS 23 Cb 0.60 1.93 0.18 0.00 0.00 0.00 0.00 35.03 37.74 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 1.74 1.08 -0.23 3.14 0.00 -1.98 -3.21 119.26 119.80 1rhx h ALA 24 Ca -0.21 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 1rhx h ALA 24 Cb 0.96 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1rhx h ALA 24 CO 0.32 0.56 0.19 -1.91 0.00 0.00 0.00 179.25 178.42 1rhx n GLU 25 N -4.15 1.37 -4.15 0.00 2.13 -1.26 -3.61 120.64 110.97 1rhx n GLU 25 Ca 0.00 -0.73 -0.24 0.00 0.66 0.00 0.00 57.16 56.85 1rhx n GLU 25 Cb 0.38 -1.29 -0.07 0.00 0.27 0.00 0.00 31.44 30.73 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1rhx s ASP 26 N 1.03 4.44 -0.03 4.31 -1.08 -1.22 -5.03 116.67 119.10 1rhx s ASP 26 Ca 0.14 -1.01 0.01 0.00 -0.52 0.00 0.00 52.55 51.18 1rhx s ASP 26 Cb 0.11 -0.53 0.01 0.00 -1.46 0.00 0.00 42.92 41.06 1rhx s ASP 26 CO 0.00 -0.46 -0.04 -0.54 0.52 0.00 0.00 175.17 174.65 1rhx s LYS 27 N -3.87 0.60 0.15 4.34 3.01 -1.26 -1.90 119.74 120.81 1rhx s LYS 27 Ca 0.40 -0.11 -0.16 0.00 -1.01 0.00 0.00 55.97 55.09 1rhx s LYS 27 Cb 0.02 -0.63 0.03 0.00 -1.01 0.00 0.00 37.83 36.24 1rhx s LYS 27 CO 0.22 -0.01 0.42 0.42 0.51 0.00 0.00 175.35 176.91 1rhx s ILE 28 N 0.52 0.06 0.09 2.17 1.01 -0.39 -4.83 121.20 119.83 1rhx s ILE 28 Ca -0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1rhx s ILE 28 Cb -0.10 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1rhx s ILE 28 CO -0.00 -0.27 0.27 -0.69 0.00 0.00 0.00 174.94 174.25 1rhx s VAL 29 N -3.84 0.11 0.01 2.92 1.01 -1.26 -3.56 120.40 115.79 1rhx s VAL 29 Ca 0.06 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1rhx s VAL 29 Cb 0.01 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1rhx s VAL 29 CO -0.08 -0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 173.52 1rhx s LEU 30 N -2.70 2.10 0.00 3.92 1.43 0.06 -4.89 118.68 118.60 1rhx s LEU 30 Ca 0.03 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1rhx s LEU 30 Cb 0.03 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1rhx s LEU 30 CO -0.10 0.25 0.11 2.30 0.23 0.00 0.00 176.35 179.14 1rhx n ILE 31 N 2.20 0.00 0.00 -0.59 -5.35 -1.13 -0.32 119.36 114.17 1rhx n ILE 31 Ca -0.16 -1.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 1rhx n ILE 31 Cb 0.52 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1rhx n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rhx n GLN 32 N -0.50 0.00 0.09 6.28 1.13 -1.26 0.26 117.38 123.37 1rhx n GLN 32 Ca -0.02 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.08 1rhx n GLN 32 Cb 0.36 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.69 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 0.00 -1.11 1.08 2.35 -1.79 -3.33 115.58 112.78 1rhx h ASN 33 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 56.30 56.07 1rhx h ASN 33 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1rhx h ASN 33 CO 0.00 0.39 0.94 1.23 -1.65 0.00 0.00 177.43 178.34 1rhx h GLY 34 N 3.75 0.00 0.77 2.83 0.00 -0.07 0.32 103.07 110.67 1rhx h GLY 34 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.34 1rhx h GLY 34 CO 0.04 0.00 0.53 -0.39 0.00 0.00 0.00 176.54 176.72 1rhx h VAL 35 N 0.00 0.18 0.00 4.60 -1.51 -1.33 -1.20 116.25 117.00 1rhx h VAL 35 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.00 1rhx h VAL 35 Cb 2.40 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 1rhx h VAL 35 CO -0.01 0.00 0.22 -0.26 -1.23 0.00 0.00 177.57 176.30 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.23 -0.85 116.94 119.04 1rhx h PHE 36 Ca 0.15 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1rhx h PHE 36 Cb 1.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 1rhx h PHE 36 CO 0.00 0.00 -0.04 -1.49 -1.61 0.00 0.00 178.31 175.17 1rhx h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.47 -3.33 115.95 114.66 1rhx h TRP 37 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1rhx h TRP 37 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1rhx h TRP 37 CO 0.00 0.04 0.00 0.00 -3.56 0.00 0.00 178.44 174.92 1rhx n ALA 38 N -2.12 3.72 0.00 1.49 0.00 -0.33 -3.23 120.51 120.04 1rhx n ALA 38 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1rhx n ALA 38 Cb 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.33 0.00 0.00 0.00 -0.00 -1.25 -1.64 117.00 115.44 1rhx n LEU 39 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1rhx n LEU 39 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 1rhx n LEU 39 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 1rhx n GLU 40 N 0.00 1.22 -2.29 1.47 -0.58 -1.20 -5.09 120.64 114.17 1rhx n GLU 40 Ca 0.00 -1.46 -0.27 0.00 -0.42 0.00 0.00 57.16 55.01 1rhx n GLU 40 Cb 0.00 0.21 0.01 0.00 -0.57 0.00 0.00 31.44 31.09 1rhx n GLU 40 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1rhx n GLU 41 N -0.94 3.42 0.00 3.49 0.28 -1.26 -4.97 120.64 120.66 1rhx n GLU 41 Ca -0.03 -4.33 0.00 0.00 -0.16 0.00 0.00 57.16 52.65 1rhx n GLU 41 Cb 0.26 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 30.87 1rhx n GLU 41 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1rhx n LEU 42 N -0.56 0.00 -3.79 -1.84 4.32 -1.26 -5.10 117.00 108.77 1rhx n LEU 42 Ca 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.32 1rhx n LEU 42 Cb 0.71 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.48 1rhx n LEU 42 CO 0.37 0.00 0.31 -1.83 -1.22 0.00 0.00 177.39 175.02 1rhx s GLU 43 N 1.65 1.49 0.11 3.23 -1.05 -1.26 -5.05 118.70 117.81 1rhx s GLU 43 Ca 0.00 -0.93 0.09 0.00 -0.15 0.00 0.00 54.97 53.98 1rhx s GLU 43 Cb 0.00 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 1rhx s GLU 43 CO 0.00 -0.64 -0.23 -0.08 0.95 0.00 0.00 175.26 175.25 1rhx s THR 44 N -3.90 1.91 -0.81 1.83 -1.32 -1.20 -4.35 115.64 107.80 1rhx s THR 44 Ca 0.11 -1.61 0.16 0.00 -1.21 0.00 0.00 61.69 59.14 1rhx s THR 44 Cb -0.02 -1.72 -0.16 0.00 -1.51 0.00 0.00 72.50 69.09 1rhx s THR 44 CO 0.01 0.01 0.70 -0.81 -2.21 0.00 0.00 174.62 172.31 1rhx n PRO 45 N 1.05 1.68 -1.88 7.08 -0.04 -1.26 -5.02 135.00 136.61 1rhx n PRO 45 Ca -0.19 -0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 62.91 1rhx n PRO 45 Cb 0.53 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 -2.49 3.05 -0.31 0.55 0.00 -1.22 -4.45 121.76 116.88 1rhx s ALA 46 Ca 0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1rhx s ALA 46 Cb 0.12 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1rhx s ALA 46 CO 0.65 -0.72 1.11 -1.59 0.00 0.00 0.00 175.76 175.21 1rhx s LYS 47 N -5.07 4.05 0.18 0.00 -2.85 -0.80 -4.94 119.74 110.32 1rhx s LYS 47 Ca 0.56 1.11 0.08 0.00 -1.00 0.00 0.00 55.97 56.72 1rhx s LYS 47 Cb -0.11 -3.75 -0.04 0.00 -2.06 0.00 0.00 37.83 31.86 1rhx s LYS 47 CO 0.52 -0.92 -0.04 0.14 0.10 0.00 0.00 175.35 175.15 1rhx s VAL 48 N 3.73 3.49 -0.29 1.79 -7.23 -1.26 -1.27 120.40 119.37 1rhx s VAL 48 Ca 0.47 -1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 1rhx s VAL 48 Cb -0.13 -2.75 0.13 0.00 0.56 0.00 0.00 36.38 34.19 1rhx s VAL 48 CO 0.16 -0.12 0.77 -0.31 -0.31 0.00 0.00 175.10 175.30 1rhx s TYR 49 N -1.74 -1.04 0.50 2.82 2.02 -1.23 -4.39 117.35 114.28 1rhx s TYR 49 Ca 0.26 1.89 -0.11 0.00 -0.37 0.00 0.00 57.07 58.74 1rhx s TYR 49 Cb -0.09 0.63 -0.06 0.00 -0.40 0.00 0.00 41.96 42.04 1rhx s TYR 49 CO 0.17 -0.52 0.89 0.00 -1.57 0.00 0.00 175.55 174.53 1rhx s ALA 50 N 2.34 3.22 -0.44 3.71 0.00 0.22 -0.76 121.76 130.05 1rhx s ALA 50 Ca -0.06 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1rhx s ALA 50 Cb -0.08 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.17 1rhx s ALA 50 CO -0.18 -0.29 1.16 0.42 0.00 0.00 0.00 175.76 176.87 1rhx s ILE 51 N -2.69 4.22 0.17 0.00 -1.09 0.57 -1.02 121.20 121.35 1rhx s ILE 51 Ca 0.54 1.28 -0.20 0.00 -2.23 0.00 0.00 60.65 60.04 1rhx s ILE 51 Cb -0.10 -4.53 0.08 0.00 -1.58 0.00 0.00 42.46 36.33 1rhx s ILE 51 CO 0.39 -0.89 1.63 0.50 -1.23 0.00 0.00 174.94 175.33 1rhx h LYS 52 N 9.18 -0.16 -0.52 2.79 3.64 -1.18 -0.95 116.57 129.37 1rhx h LYS 52 Ca -0.23 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1rhx h LYS 52 Cb 1.06 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1rhx h LYS 52 CO 1.11 -0.11 0.17 -0.44 -2.27 0.00 0.00 179.45 177.91 1rhx h ASP 53 N -0.17 0.16 0.04 4.20 5.19 -1.92 0.89 116.42 124.82 1rhx h ASP 53 Ca 0.18 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.56 1rhx h ASP 53 Cb 0.45 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1rhx h ASP 53 CO -0.47 0.11 -0.30 0.44 -3.12 0.00 0.00 179.24 175.90 1rhx h ASP 54 N 0.35 0.40 -0.34 6.45 3.32 -1.82 -0.52 116.42 124.25 1rhx h ASP 54 Ca 0.25 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1rhx h ASP 54 Cb 0.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1rhx h ASP 54 CO -0.27 0.69 -0.05 0.15 -1.72 0.00 0.00 179.24 178.04 1rhx h PHE 55 N 0.34 0.71 -0.30 4.55 3.57 0.24 -0.29 116.94 125.76 1rhx h PHE 55 Ca 0.05 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1rhx h PHE 55 Cb 0.70 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1rhx h PHE 55 CO 0.02 0.78 0.15 -0.07 -2.23 0.00 0.00 178.31 176.96 1rhx h LEU 56 N 0.43 0.22 0.00 0.59 3.38 -0.86 -0.17 115.31 118.91 1rhx h LEU 56 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rhx h LEU 56 Cb 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1rhx h LEU 56 CO 0.03 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1rhx n ALA 57 N -2.24 1.86 -1.60 1.53 0.00 -0.21 -1.91 120.51 117.94 1rhx n ALA 57 Ca -0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1rhx n ALA 57 Cb 0.07 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.23 2.73 -1.53 0.00 3.00 -0.11 -4.96 116.66 114.56 1rhx n ARG 58 Ca 0.08 -3.55 -0.18 0.00 -0.00 0.00 0.00 57.85 54.20 1rhx n ARG 58 Cb 0.10 -2.14 -0.08 0.00 0.00 0.00 0.00 32.46 30.34 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 -0.92 1.68 4.00 5.14 0.00 -0.80 -4.98 105.19 109.31 1rhx n GLY 59 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.52 1.79 0.29 1.61 2.02 -1.01 -5.05 117.35 114.50 1rhx s TYR 60 Ca 0.00 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 56.41 1rhx s TYR 60 Cb 0.00 -2.68 -0.06 0.00 -0.40 0.00 0.00 41.96 38.83 1rhx s TYR 60 CO 0.00 -1.33 -0.12 0.45 -1.57 0.00 0.00 175.55 172.97 1rhx s SER 61 N -4.64 3.34 0.49 2.29 0.15 -1.26 -4.58 113.70 109.48 1rhx s SER 61 Ca 0.63 -1.13 0.28 0.00 0.70 0.00 0.00 55.95 56.43 1rhx s SER 61 Cb -0.06 -0.27 0.96 0.00 -1.71 0.00 0.00 66.02 64.93 1rhx s SER 61 CO 0.41 -0.16 1.83 -0.33 1.20 0.00 0.00 173.24 176.19 1rhx h GLU 62 N 2.21 0.00 0.00 5.44 5.08 -1.98 -1.28 114.58 124.05 1rhx h GLU 62 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1rhx h GLU 62 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1rhx h GLU 62 CO 0.66 0.08 -0.19 -1.91 -1.00 0.00 0.00 179.01 176.64 1rhx n GLU 63 N -3.17 0.18 0.12 2.33 2.13 -1.26 -4.03 120.64 116.94 1rhx n GLU 63 Ca 0.01 0.11 -0.03 0.00 0.66 0.00 0.00 57.16 57.92 1rhx n GLU 63 Cb 0.41 -1.67 0.11 0.00 0.27 0.00 0.00 31.44 30.56 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1rhx h ASP 64 N 0.00 0.04 -3.14 4.31 3.32 -1.64 -3.44 116.42 115.87 1rhx h ASP 64 Ca 0.00 -0.03 -0.57 0.00 0.02 0.00 0.00 57.03 56.45 1rhx h ASP 64 Cb 0.66 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1rhx h ASP 64 CO 0.00 0.72 0.71 -0.55 -1.72 0.00 0.00 179.24 178.40 1rhx s SER 65 N -6.84 7.14 -0.06 6.45 0.15 -1.26 -4.89 113.70 114.40 1rhx s SER 65 Ca -0.01 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1rhx s SER 65 Cb 0.12 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1rhx s SER 65 CO 0.78 -0.58 1.63 2.29 1.20 0.00 0.00 173.24 178.56 1rhx n LYS 66 N 5.75 1.15 -3.67 5.44 2.85 -0.65 -4.74 118.16 124.28 1rhx n LYS 66 Ca 0.11 -0.31 -0.12 0.00 -1.05 0.00 0.00 58.31 56.94 1rhx n LYS 66 Cb 0.47 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.67 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 -0.41 0.07 0.60 0.58 -7.23 -1.26 -4.97 120.40 107.78 1rhx s VAL 67 Ca 0.06 -0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 59.53 1rhx s VAL 67 Cb 0.05 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1rhx s VAL 67 CO 0.00 -0.30 1.09 -2.16 -0.31 0.00 0.00 175.10 173.42 1rhx s PRO 68 N -2.90 3.16 -0.58 4.82 0.04 -1.26 -4.74 135.00 133.55 1rhx s PRO 68 Ca -0.03 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.40 1rhx s PRO 68 Cb 0.00 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1rhx s PRO 68 CO -0.05 -0.96 0.36 -0.51 0.04 0.00 0.00 177.00 175.88 1rhx s LEU 69 N -4.47 4.08 0.68 -3.56 1.43 -1.26 -0.61 118.68 114.97 1rhx s LEU 69 Ca 0.66 -3.30 -0.05 0.00 -1.03 0.00 0.00 54.13 50.41 1rhx s LEU 69 Cb -0.19 -1.47 0.07 0.00 0.03 0.00 0.00 46.19 44.63 1rhx s LEU 69 CO 0.36 -0.17 0.97 0.27 0.23 0.00 0.00 176.35 178.01 1rhx s ILE 70 N -0.65 2.34 0.65 -0.59 -4.36 -0.19 -4.47 121.20 113.93 1rhx s ILE 70 Ca 0.21 -0.38 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 1rhx s ILE 70 Cb -0.15 -2.97 0.01 0.00 1.25 0.00 0.00 42.46 40.60 1rhx s ILE 70 CO -0.08 0.00 1.01 0.42 0.24 0.00 0.00 174.94 176.53 1rhx s THR 71 N -3.15 3.67 0.56 8.37 -4.23 -1.26 -0.78 115.64 118.82 1rhx s THR 71 Ca 0.60 0.33 0.28 0.00 -1.18 0.00 0.00 61.69 61.72 1rhx s THR 71 Cb -0.10 -3.51 0.40 0.00 1.34 0.00 0.00 72.50 70.63 1rhx s THR 71 CO 0.44 -0.61 1.96 1.88 -0.54 0.00 0.00 174.62 177.75 1rhx h TYR 72 N -0.43 0.00 0.14 3.99 0.05 -1.96 -2.79 116.97 115.97 1rhx h TYR 72 Ca -0.45 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.03 1rhx h TYR 72 Cb 1.25 0.00 0.03 0.00 1.01 0.00 0.00 36.73 39.01 1rhx h TYR 72 CO 0.50 0.00 -1.27 0.77 -1.05 0.00 0.00 178.16 177.11 1rhx h SER 73 N 0.00 0.79 -0.39 3.88 0.02 -2.01 -3.07 113.55 112.78 1rhx h SER 73 Ca 0.24 -0.76 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1rhx h SER 73 Cb 1.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1rhx h SER 73 CO -0.00 1.57 0.25 -0.33 -1.14 0.00 0.00 176.83 177.18 1rhx h GLU 74 N 0.22 0.53 -0.05 3.45 5.08 -1.88 -2.49 114.58 119.44 1rhx h GLU 74 Ca -0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1rhx h GLU 74 Cb 1.95 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 1rhx h GLU 74 CO 0.24 0.37 0.01 0.35 -1.00 0.00 0.00 179.01 178.98 1rhx h PHE 75 N 0.55 0.02 -0.98 4.33 3.57 -1.43 -3.07 116.94 119.93 1rhx h PHE 75 Ca 0.15 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.82 1rhx h PHE 75 Cb -0.03 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.60 1rhx h PHE 75 CO 0.00 0.01 0.58 0.82 -2.23 0.00 0.00 178.31 177.49 1rhx h ILE 76 N 0.03 0.74 -0.50 1.41 1.08 -1.36 0.11 117.51 119.03 1rhx h ILE 76 Ca 0.02 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.26 1rhx h ILE 76 Cb 0.01 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 33.64 1rhx h ILE 76 CO -0.02 0.14 0.33 -0.78 -0.69 0.00 0.00 178.15 177.13 1rhx h ASP 77 N 0.78 0.47 0.18 1.72 3.58 -1.50 -1.86 116.42 119.79 1rhx h ASP 77 Ca 0.54 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.91 1rhx h ASP 77 Cb 0.78 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1rhx h ASP 77 CO -0.36 0.32 -0.29 -0.07 -2.88 0.00 0.00 179.24 175.96 1rhx h LEU 78 N 0.54 0.18 0.00 2.28 3.38 -0.81 -3.37 115.31 117.51 1rhx h LEU 78 Ca 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rhx h LEU 78 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1rhx h LEU 78 CO -0.05 0.47 0.00 0.18 0.09 0.00 0.00 178.44 179.13 1rhx n LEU 79 N -4.14 0.00 -4.00 1.67 7.99 -0.71 -4.75 117.00 113.06 1rhx n LEU 79 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.68 1rhx n LEU 79 Cb 0.38 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.66 1rhx n LEU 79 CO 0.39 0.00 -0.25 -0.62 -1.51 0.00 0.00 177.39 175.40 1rhx n GLU 80 N 0.00 -2.07 -1.55 3.23 -0.58 -1.17 -2.78 120.64 115.73 1rhx n GLU 80 Ca 0.00 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1rhx n GLU 80 Cb 0.00 -4.01 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 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 -2.08 0.97 2.57 0.62 0.00 -1.26 -5.00 105.19 101.01 1rhx n GLY 81 Ca -0.26 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.42 2.33 -1.45 1.61 -0.58 -1.12 -5.02 120.64 115.99 1rhx n GLU 82 Ca 0.00 -3.90 -0.40 0.00 -0.42 0.00 0.00 57.16 52.44 1rhx n GLU 82 Cb 0.32 -1.76 -0.02 0.00 -0.57 0.00 0.00 31.44 29.40 1rhx n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1rhx n GLU 83 N -0.28 3.43 -2.44 3.49 2.13 -1.26 -3.88 120.64 121.83 1rhx n GLU 83 Ca 0.25 -2.34 -0.02 0.00 0.66 0.00 0.00 57.16 55.71 1rhx n GLU 83 Cb 0.74 -2.96 0.09 0.00 0.27 0.00 0.00 31.44 29.57 1rhx n GLU 83 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1rhx n LYS 84 N 4.39 1.21 -2.32 5.31 -0.00 -1.26 -4.94 118.16 120.54 1rhx n LYS 84 Ca 0.70 -1.63 -0.02 0.00 -0.00 0.00 0.00 58.31 57.36 1rhx n LYS 84 Cb 0.28 0.05 0.07 0.00 -0.00 0.00 0.00 35.03 35.43 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1rhx n PHE 85 N -1.11 -0.82 -1.51 5.58 -1.74 -1.25 -4.79 117.46 111.82 1rhx n PHE 85 Ca -0.14 -1.50 -0.11 0.00 -0.56 0.00 0.00 57.45 55.13 1rhx n PHE 85 Cb 0.85 0.86 0.08 0.00 1.52 0.00 0.00 39.48 42.79 1rhx n PHE 85 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 1rhx n ILE 86 N -0.92 0.00 0.00 1.97 2.08 -1.23 -4.66 119.36 116.60 1rhx n ILE 86 Ca -0.13 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.76 1rhx n ILE 86 Cb 0.85 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 38.03 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72