#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 0.20 -0.47 -5.12 0.00 -1.26 -5.13 121.76 109.98 1rhx s ALA 2 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1rhx s ALA 2 Cb 0.00 1.17 0.15 0.00 0.00 0.00 0.00 23.12 24.44 1rhx s ALA 2 CO 0.00 -0.77 0.32 -0.51 0.00 0.00 0.00 175.76 174.80 1rhx s LEU 3 N -3.06 2.50 -0.62 0.00 1.43 -1.26 -4.97 118.68 112.70 1rhx s LEU 3 Ca 0.28 -2.98 0.02 0.00 -1.03 0.00 0.00 54.13 50.42 1rhx s LEU 3 Cb 0.02 -0.88 0.40 0.00 0.03 0.00 0.00 46.19 45.75 1rhx s LEU 3 CO 0.10 -0.20 1.58 0.52 0.23 0.00 0.00 176.35 178.58 1rhx n VAL 4 N 3.04 3.01 -3.57 -1.59 0.31 -1.25 -2.62 118.33 115.66 1rhx n VAL 4 Ca 0.18 -4.42 -0.00 0.00 -0.01 0.00 0.00 64.34 60.09 1rhx n VAL 4 Cb 0.39 -1.24 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 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 -3.79 -1.04 -0.31 7.52 2.34 -0.07 -4.33 118.68 119.00 1rhx s LEU 5 Ca 0.52 1.38 0.12 0.00 0.06 0.00 0.00 54.13 56.21 1rhx s LEU 5 Cb 0.43 2.17 0.47 0.00 -0.56 0.00 0.00 46.19 48.69 1rhx s LEU 5 CO -0.25 -0.20 1.13 0.55 -1.06 0.00 0.00 176.35 176.53 1rhx n VAL 6 N 5.36 2.03 -2.02 1.48 3.14 -1.24 -4.51 118.33 122.57 1rhx n VAL 6 Ca -0.11 -3.89 -0.13 0.00 -2.96 0.00 0.00 64.34 57.24 1rhx n VAL 6 Cb 0.50 -0.36 0.07 0.00 -1.06 0.00 0.00 33.84 32.99 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 -0.58 2.80 -2.44 1.45 -0.00 -1.26 -2.73 118.16 115.38 1rhx n LYS 7 Ca 0.30 -3.81 -0.00 0.00 -0.00 0.00 0.00 58.31 54.80 1rhx n LYS 7 Cb 0.86 -1.96 0.06 0.00 -0.00 0.00 0.00 35.03 33.98 1rhx n LYS 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1rhx n TYR 8 N -0.75 0.16 0.00 5.58 4.19 -1.26 -4.33 117.16 120.75 1rhx n TYR 8 Ca 0.33 -1.65 0.00 0.00 3.31 0.00 0.00 57.90 59.89 1rhx n TYR 8 Cb 0.89 0.27 0.00 0.00 0.49 0.00 0.00 39.34 40.99 1rhx n TYR 8 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rhx n GLY 9 N -0.61 0.77 1.86 2.98 0.00 -1.19 -4.49 105.19 104.51 1rhx n GLY 9 Ca -0.02 0.54 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 2.70 -2.14 2.61 -2.24 -1.26 -4.13 114.28 109.81 1rhx n THR 10 Ca 0.00 -1.56 -0.17 0.00 -2.27 0.00 0.00 64.05 60.04 1rhx n THR 10 Cb 0.00 -1.29 0.04 0.00 -2.10 0.00 0.00 70.33 66.98 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 0.32 4.06 -3.75 3.42 -0.08 -1.26 -5.00 116.55 114.27 1rhx n ASP 11 Ca 0.29 -3.43 -0.07 0.00 -1.51 0.00 0.00 54.79 50.07 1rhx n ASP 11 Cb 0.62 -0.38 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 1rhx n ASP 11 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1rhx s HIS 12 N -3.56 -0.25 0.72 -0.67 -3.43 -1.26 -4.77 115.29 102.08 1rhx s HIS 12 Ca 0.46 -0.13 -0.11 0.00 -0.80 0.00 0.00 55.06 54.48 1rhx s HIS 12 Cb 0.39 0.66 0.03 0.00 -1.43 0.00 0.00 32.58 32.23 1rhx s HIS 12 CO 0.02 -1.07 1.09 -1.25 -2.00 0.00 0.00 174.74 171.53 1rhx s PRO 13 N -3.74 2.70 0.00 -0.38 0.04 -1.26 -4.28 135.00 128.08 1rhx s PRO 13 Ca 0.09 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1rhx s PRO 13 Cb -0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1rhx s PRO 13 CO 0.02 -1.17 0.00 0.28 0.04 0.00 0.00 177.00 176.17 1rhx n VAL 14 N -3.12 0.00 -2.32 -0.36 0.31 -1.26 -4.75 118.33 106.83 1rhx n VAL 14 Ca 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.38 1rhx n VAL 14 Cb 0.56 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.24 0.09 5.55 1.02 -1.26 -3.45 120.64 122.83 1rhx n GLU 15 Ca 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 1rhx n GLU 15 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.04 0.00 0.24 3.49 3.00 -1.26 -4.64 118.16 119.03 1rhx n LYS 16 Ca -0.11 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.38 1rhx n LYS 16 Cb 0.91 0.00 0.88 0.00 0.00 0.00 0.00 35.03 36.82 1rhx n LYS 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1rhx h LEU 17 N 0.00 0.00 -1.39 3.14 -0.00 -1.92 0.14 115.31 115.28 1rhx h LEU 17 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1rhx h LEU 17 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1rhx h LEU 17 CO 0.00 0.00 -0.03 0.07 -0.00 0.00 0.00 178.44 178.48 1rhx h LYS 18 N 0.00 0.36 0.00 1.13 -0.00 -1.83 -0.03 116.57 116.20 1rhx h LYS 18 Ca 0.06 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.65 60.56 1rhx h LYS 18 Cb 0.38 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 32.54 1rhx h LYS 18 CO -0.00 0.42 -0.39 0.82 -0.00 0.00 0.00 179.45 180.29 1rhx h ILE 19 N 0.35 0.85 0.00 0.07 2.04 -1.06 0.18 117.51 119.94 1rhx h ILE 19 Ca 0.08 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1rhx h ILE 19 Cb 0.29 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1rhx h ILE 19 CO 0.01 0.38 -0.64 0.03 0.00 0.00 0.00 178.15 177.93 1rhx h ARG 20 N 0.00 0.00 -0.32 2.37 -0.00 -1.36 -3.45 114.38 111.62 1rhx h ARG 20 Ca -0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.38 1rhx h ARG 20 Cb 0.99 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 30.81 1rhx h ARG 20 CO 0.05 0.21 -0.29 0.45 0.00 0.00 0.00 179.97 180.40 1rhx n SER 21 N -3.01 -2.29 -2.96 7.04 2.88 -0.09 -5.11 113.62 110.08 1rhx n SER 21 Ca -0.00 -2.19 -0.09 0.00 -1.33 0.00 0.00 58.87 55.25 1rhx n SER 21 Cb 0.66 1.25 0.02 0.00 -0.75 0.00 0.00 64.21 65.39 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 0.69 -0.57 0.24 -1.46 0.00 0.56 -4.36 121.76 116.86 1rhx s ALA 22 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1rhx s ALA 22 Cb 0.13 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1rhx s ALA 22 CO -0.12 -0.97 0.31 1.17 0.00 0.00 0.00 175.76 176.16 1rhx n LYS 23 N -0.54 0.45 0.13 0.00 3.00 -1.26 -4.95 118.16 114.98 1rhx n LYS 23 Ca -0.07 -2.03 0.10 0.00 -0.00 0.00 0.00 58.31 56.31 1rhx n LYS 23 Cb 0.60 1.88 0.49 0.00 0.00 0.00 0.00 35.03 38.00 1rhx n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rhx n ALA 24 N -1.40 1.32 -1.69 3.14 0.00 -1.26 -3.26 120.51 117.35 1rhx n ALA 24 Ca -0.09 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1rhx n ALA 24 Cb 0.41 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.62 1rhx n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rhx n GLU 25 N -2.14 2.98 -2.05 0.00 0.28 -1.26 -4.02 120.64 114.42 1rhx n GLU 25 Ca 0.00 -3.70 -0.09 0.00 -0.16 0.00 0.00 57.16 53.21 1rhx n GLU 25 Cb 0.11 -2.20 0.02 0.00 1.43 0.00 0.00 31.44 30.80 1rhx n GLU 25 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1rhx n ASP 26 N -0.86 1.17 -3.52 -1.84 -0.08 -1.20 -5.05 116.55 105.17 1rhx n ASP 26 Ca 0.49 -1.71 -0.22 0.00 -1.51 0.00 0.00 54.79 51.83 1rhx n ASP 26 Cb 0.89 -0.13 -0.14 0.00 2.34 0.00 0.00 41.12 44.08 1rhx n ASP 26 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1rhx s LYS 27 N -3.07 0.18 0.06 -0.67 0.00 -1.26 -4.17 119.74 110.81 1rhx s LYS 27 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 55.97 56.15 1rhx s LYS 27 Cb -0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 37.83 36.51 1rhx s LYS 27 CO 0.14 -0.79 -0.11 0.42 0.00 0.00 0.00 175.35 175.01 1rhx s ILE 28 N 2.23 0.85 0.05 3.79 1.01 -1.15 -4.81 121.20 123.17 1rhx s ILE 28 Ca 0.06 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.32 1rhx s ILE 28 Cb -0.16 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1rhx s ILE 28 CO -0.20 -0.36 0.23 -0.69 0.00 0.00 0.00 174.94 173.93 1rhx s VAL 29 N -1.57 0.10 -0.04 2.92 1.01 -1.26 -3.04 120.40 118.53 1rhx s VAL 29 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1rhx s VAL 29 Cb -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1rhx s VAL 29 CO 0.01 -0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 173.75 1rhx s LEU 30 N -2.14 2.77 0.39 3.92 1.43 -0.18 -4.88 118.68 120.00 1rhx s LEU 30 Ca -0.04 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1rhx s LEU 30 Cb -0.01 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1rhx s LEU 30 CO -0.04 0.34 0.10 0.27 0.23 0.00 0.00 176.35 177.25 1rhx s ILE 31 N -0.76 0.80 0.00 -0.59 -4.36 -1.17 -0.41 121.20 114.71 1rhx s ILE 31 Ca 0.12 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1rhx s ILE 31 Cb -0.11 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1rhx s ILE 31 CO 0.01 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.19 1rhx n GLN 32 N -0.88 0.00 0.04 0.37 1.13 -1.26 0.27 117.38 117.05 1rhx n GLN 32 Ca -0.06 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.11 1rhx n GLN 32 Cb 0.66 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.91 1rhx n GLN 32 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1rhx n ASN 33 N 2.11 0.37 -0.24 1.08 3.02 -1.26 -4.03 115.26 116.31 1rhx n ASN 33 Ca 0.00 0.12 0.32 0.00 -0.03 0.00 0.00 54.58 54.99 1rhx n ASN 33 Cb 0.00 1.33 0.68 0.00 -0.61 0.00 0.00 39.78 41.18 1rhx n ASN 33 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1rhx h GLY 34 N 4.02 0.00 -0.92 7.41 0.00 0.02 -1.66 103.07 111.94 1rhx h GLY 34 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 47.33 47.73 1rhx h GLY 34 CO 0.00 0.00 1.07 -0.39 0.00 0.00 0.00 176.54 177.22 1rhx h VAL 35 N 0.00 0.21 -0.15 4.60 -1.51 -1.56 -0.03 116.25 117.80 1rhx h VAL 35 Ca 0.50 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 66.01 1rhx h VAL 35 Cb 2.32 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1rhx h VAL 35 CO -0.01 0.00 0.24 -0.26 -1.23 0.00 0.00 177.57 176.32 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.62 -1.70 116.94 117.80 1rhx h PHE 36 Ca 0.66 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.44 1rhx h PHE 36 Cb 2.79 0.00 0.00 0.00 3.61 0.00 0.00 35.95 42.35 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 -0.43 -0.55 4.06 -1.25 -2.22 115.95 115.56 1rhx h TRP 37 Ca 0.07 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.74 1rhx h TRP 37 Cb 0.55 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.59 1rhx h TRP 37 CO 0.00 0.00 0.36 0.00 -3.56 0.00 0.00 178.44 175.24 1rhx n ALA 38 N -1.97 4.84 -2.59 1.49 0.00 -0.64 -3.78 120.51 117.86 1rhx n ALA 38 Ca -0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 53.44 51.97 1rhx n ALA 38 Cb 0.17 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 0.38 -0.78 0.00 0.00 -0.00 -0.84 -0.46 117.00 115.31 1rhx n LEU 39 Ca 0.27 -1.94 0.00 0.00 -0.00 0.00 0.00 56.01 54.34 1rhx n LEU 39 Cb 0.63 0.66 0.00 0.00 -0.00 0.00 0.00 43.42 44.70 1rhx n LEU 39 CO 0.33 1.29 0.00 -0.62 -0.00 0.00 0.00 177.39 178.38 1rhx n GLU 40 N -0.56 3.03 -3.03 1.47 -0.58 -1.25 -5.08 120.64 114.64 1rhx n GLU 40 Ca -0.11 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.48 1rhx n GLU 40 Cb 0.66 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.54 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 -0.03 0.99 0.00 3.49 0.00 -1.26 -5.09 120.64 118.75 1rhx n GLU 41 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 57.16 54.21 1rhx n GLU 41 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1rhx n GLU 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1rhx n LEU 42 N 0.27 0.00 -3.15 -1.84 -0.00 -1.26 -5.13 117.00 105.89 1rhx n LEU 42 Ca 0.19 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.24 1rhx n LEU 42 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.09 1rhx n LEU 42 CO 0.16 0.00 0.18 -1.83 -0.00 0.00 0.00 177.39 175.90 1rhx s GLU 43 N 1.99 0.53 0.24 1.96 1.03 -1.26 -5.07 118.70 118.12 1rhx s GLU 43 Ca 0.00 0.83 -0.30 0.00 0.03 0.00 0.00 54.97 55.53 1rhx s GLU 43 Cb 0.00 0.45 -0.09 0.00 -0.80 0.00 0.00 34.13 33.69 1rhx s GLU 43 CO 0.00 -0.69 0.99 -0.08 -1.33 0.00 0.00 175.26 174.15 1rhx s THR 44 N 2.86 3.94 -0.71 1.83 -1.32 -1.22 -4.88 115.64 116.14 1rhx s THR 44 Ca 0.17 1.91 0.24 0.00 -1.21 0.00 0.00 61.69 62.80 1rhx s THR 44 Cb -0.13 -4.22 -0.01 0.00 -1.51 0.00 0.00 72.50 66.63 1rhx s THR 44 CO -0.22 0.44 1.25 -0.81 -2.21 0.00 0.00 174.62 173.08 1rhx n PRO 45 N 1.56 0.23 -1.88 7.08 -0.04 -1.26 -4.99 135.00 135.70 1rhx n PRO 45 Ca -0.01 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 1rhx n PRO 45 Cb 0.47 -1.62 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 1rhx n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rhx n ALA 46 N -1.76 -1.62 -1.77 0.55 0.00 -1.24 -4.45 120.51 110.23 1rhx n ALA 46 Ca 0.03 -1.74 -0.38 0.00 0.00 0.00 0.00 53.44 51.35 1rhx n ALA 46 Cb 0.42 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1rhx n ALA 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1rhx s LYS 47 N -5.91 4.69 -0.04 0.00 -2.85 -1.26 -4.99 119.74 109.38 1rhx s LYS 47 Ca 0.76 1.43 -0.01 0.00 -1.00 0.00 0.00 55.97 57.14 1rhx s LYS 47 Cb -0.02 -3.02 0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1rhx s LYS 47 CO 0.53 0.36 0.09 0.08 0.10 0.00 0.00 175.35 176.51 1rhx s VAL 48 N -1.41 -0.05 0.15 1.79 1.01 -1.26 -2.92 120.40 117.71 1rhx s VAL 48 Ca 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1rhx s VAL 48 Cb -0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1rhx s VAL 48 CO 0.28 0.08 0.06 -0.31 0.00 0.00 0.00 175.10 175.21 1rhx s TYR 49 N 1.10 0.99 0.03 5.22 1.51 -1.17 -4.31 117.35 120.71 1rhx s TYR 49 Ca -0.09 -1.23 0.00 0.00 -1.01 0.00 0.00 57.07 54.75 1rhx s TYR 49 Cb -0.12 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1rhx s TYR 49 CO -0.04 -0.49 -0.04 0.00 -1.11 0.00 0.00 175.55 173.87 1rhx s ALA 50 N -4.00 0.28 -0.56 3.71 0.00 -0.56 -1.01 121.76 119.63 1rhx s ALA 50 Ca 0.27 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 1rhx s ALA 50 Cb 0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1rhx s ALA 50 CO 0.04 -0.18 1.20 0.42 0.00 0.00 0.00 175.76 177.24 1rhx s ILE 51 N -1.97 4.04 0.18 0.00 -1.09 0.45 -0.51 121.20 122.30 1rhx s ILE 51 Ca -0.10 0.96 -0.20 0.00 -2.23 0.00 0.00 60.65 59.08 1rhx s ILE 51 Cb -0.06 -4.68 0.13 0.00 -1.58 0.00 0.00 42.46 36.27 1rhx s ILE 51 CO -0.03 -1.26 1.60 0.50 -1.23 0.00 0.00 174.94 174.53 1rhx h LYS 52 N 9.60 -0.15 -0.29 2.79 3.64 -1.06 1.00 116.57 132.09 1rhx h LYS 52 Ca -0.25 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1rhx h LYS 52 Cb 1.06 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1rhx h LYS 52 CO 1.17 -0.10 -0.51 -0.44 -2.27 0.00 0.00 179.45 177.31 1rhx h ASP 53 N -0.15 0.91 -0.47 4.20 3.32 -1.91 -0.52 116.42 121.79 1rhx h ASP 53 Ca 0.23 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1rhx h ASP 53 Cb 0.52 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1rhx h ASP 53 CO -0.61 1.25 0.12 0.44 -1.72 0.00 0.00 179.24 178.73 1rhx h ASP 54 N 0.65 0.72 -0.18 6.45 3.32 -1.88 -0.38 116.42 125.11 1rhx h ASP 54 Ca 0.02 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 56.90 1rhx h ASP 54 Cb 1.10 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 1rhx h ASP 54 CO 0.11 0.76 -0.19 0.15 -1.72 0.00 0.00 179.24 178.34 1rhx h PHE 55 N 0.64 -0.50 -0.50 4.55 3.04 -0.59 -0.65 116.94 122.94 1rhx h PHE 55 Ca 0.15 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.05 1rhx h PHE 55 Cb 0.32 0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1rhx h PHE 55 CO 0.02 -0.27 -0.03 -0.07 -2.02 0.00 0.00 178.31 175.94 1rhx h LEU 56 N -0.22 0.83 -1.09 0.59 3.38 -1.04 -0.69 115.31 117.07 1rhx h LEU 56 Ca 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rhx h LEU 56 Cb 0.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1rhx h LEU 56 CO -0.31 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1rhx h ALA 57 N 1.18 1.00 -0.89 1.53 0.00 -0.46 -3.09 119.26 118.53 1rhx h ALA 57 Ca 0.14 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.52 1rhx h ALA 57 Cb 0.51 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.04 1rhx h ALA 57 CO 0.03 0.00 0.69 -2.13 0.00 0.00 0.00 179.25 177.83 1rhx n ARG 58 N -2.34 2.31 -3.84 0.00 0.00 -0.27 -4.92 116.66 107.60 1rhx n ARG 58 Ca 0.01 -2.80 -0.36 0.00 -0.00 0.00 0.00 57.85 54.70 1rhx n ARG 58 Cb 0.17 -2.10 0.03 0.00 0.00 0.00 0.00 32.46 30.56 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 -0.80 -0.87 3.37 5.14 0.00 -1.17 -5.03 105.19 105.84 1rhx n GLY 59 Ca 0.55 0.39 -0.21 0.00 0.00 0.00 0.00 46.02 46.75 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 -3.54 1.69 0.15 1.61 1.51 -1.25 -5.09 117.35 112.43 1rhx s TYR 60 Ca 0.44 -1.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.11 1rhx s TYR 60 Cb -0.19 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1rhx s TYR 60 CO 0.90 -0.54 -0.05 0.45 -1.11 0.00 0.00 175.55 175.21 1rhx s SER 61 N -3.44 1.45 0.39 2.29 0.15 -1.26 -4.70 113.70 108.58 1rhx s SER 61 Ca 0.33 -1.09 0.10 0.00 0.70 0.00 0.00 55.95 55.99 1rhx s SER 61 Cb 0.04 0.06 0.87 0.00 -1.71 0.00 0.00 66.02 65.27 1rhx s SER 61 CO 0.19 -0.46 1.94 -0.33 1.20 0.00 0.00 173.24 175.77 1rhx h GLU 62 N 2.76 0.60 0.00 5.44 5.08 -1.98 0.08 114.58 126.56 1rhx h GLU 62 Ca -0.36 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1rhx h GLU 62 Cb 1.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1rhx h GLU 62 CO 0.64 0.39 0.00 -0.85 -1.00 0.00 0.00 179.01 178.19 1rhx n GLU 63 N -4.49 0.06 0.07 2.33 0.28 -1.26 -3.21 120.64 114.42 1rhx n GLU 63 Ca 0.12 0.22 0.04 0.00 -0.16 0.00 0.00 57.16 57.38 1rhx n GLU 63 Cb 0.36 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.69 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1rhx h ASP 64 N 0.00 0.00 -3.29 -1.84 3.32 -1.39 -3.46 116.42 109.76 1rhx h ASP 64 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1rhx h ASP 64 Cb 0.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1rhx h ASP 64 CO 0.00 0.40 -0.19 -0.55 -1.72 0.00 0.00 179.24 177.18 1rhx s SER 65 N -5.81 6.61 -0.42 6.45 0.15 -1.20 -4.86 113.70 114.64 1rhx s SER 65 Ca -0.01 0.82 0.04 0.00 0.70 0.00 0.00 55.95 57.51 1rhx s SER 65 Cb 0.09 -2.19 0.47 0.00 -1.71 0.00 0.00 66.02 62.68 1rhx s SER 65 CO 0.79 0.02 1.54 2.29 1.20 0.00 0.00 173.24 179.08 1rhx n LYS 66 N 0.21 2.90 -3.99 5.44 2.85 0.39 -4.96 118.16 121.00 1rhx n LYS 66 Ca -0.02 -3.65 -0.10 0.00 -1.05 0.00 0.00 58.31 53.49 1rhx n LYS 66 Cb 0.52 -2.18 -0.08 0.00 -0.65 0.00 0.00 35.03 32.64 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 -4.35 0.07 -0.15 0.58 -7.23 -1.26 -4.93 120.40 103.13 1rhx s VAL 67 Ca 0.54 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 1rhx s VAL 67 Cb 0.44 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1rhx s VAL 67 CO 0.02 -0.33 1.67 -2.16 -0.31 0.00 0.00 175.10 173.98 1rhx s PRO 68 N -3.98 3.91 -0.40 4.82 0.04 -1.26 -4.85 135.00 133.27 1rhx s PRO 68 Ca 0.18 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 1rhx s PRO 68 Cb 0.04 -4.04 0.02 0.00 0.04 0.00 0.00 34.50 30.56 1rhx s PRO 68 CO 0.00 -1.17 1.01 -0.51 0.04 0.00 0.00 177.00 176.38 1rhx s LEU 69 N 4.93 3.89 0.38 -3.56 1.43 -1.26 -1.49 118.68 122.99 1rhx s LEU 69 Ca 0.74 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1rhx s LEU 69 Cb -0.29 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1rhx s LEU 69 CO 0.30 -1.00 0.01 0.27 0.23 0.00 0.00 176.35 176.15 1rhx s ILE 70 N 3.82 1.85 0.75 -0.59 -4.36 0.33 -4.77 121.20 118.23 1rhx s ILE 70 Ca 0.42 -2.02 -0.09 0.00 -0.26 0.00 0.00 60.65 58.69 1rhx s ILE 70 Cb -0.10 -2.91 0.06 0.00 1.25 0.00 0.00 42.46 40.77 1rhx s ILE 70 CO 0.23 -0.03 1.09 0.42 0.24 0.00 0.00 174.94 176.89 1rhx s THR 71 N -2.83 2.29 0.24 8.37 -4.23 -1.26 -0.45 115.64 117.77 1rhx s THR 71 Ca 0.35 -0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 1rhx s THR 71 Cb 0.09 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 71.07 1rhx s THR 71 CO 0.17 -0.07 1.77 1.88 -0.54 0.00 0.00 174.62 177.84 1rhx h TYR 72 N -0.80 0.67 -0.12 3.99 0.05 -1.96 -1.99 116.97 116.80 1rhx h TYR 72 Ca -0.45 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.25 1rhx h TYR 72 Cb 1.32 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1rhx h TYR 72 CO 0.34 0.21 -0.40 0.77 -1.05 0.00 0.00 178.16 178.03 1rhx h SER 73 N 0.61 0.27 0.74 3.88 0.02 -2.00 -0.75 113.55 116.32 1rhx h SER 73 Ca 0.39 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1rhx h SER 73 Cb 0.46 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1rhx h SER 73 CO -0.31 0.65 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.43 1rhx h GLU 74 N 0.22 0.00 -0.05 3.45 5.08 -1.85 -2.85 114.58 118.59 1rhx h GLU 74 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1rhx h GLU 74 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1rhx h GLU 74 CO 0.06 0.27 -0.30 0.35 -1.00 0.00 0.00 179.01 178.39 1rhx h PHE 75 N 0.00 0.39 -0.73 4.33 3.57 -0.53 -3.29 116.94 120.67 1rhx h PHE 75 Ca -0.00 -0.18 0.10 0.00 3.53 0.00 0.00 57.97 61.42 1rhx h PHE 75 Cb 0.71 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 1rhx h PHE 75 CO 0.00 0.92 0.35 0.82 -2.23 0.00 0.00 178.31 178.18 1rhx h ILE 76 N -0.26 0.81 -0.54 1.41 1.08 -1.09 -0.51 117.51 118.41 1rhx h ILE 76 Ca -0.02 -0.20 0.13 0.00 -0.39 0.00 0.00 64.86 64.38 1rhx h ILE 76 Cb 0.97 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1rhx h ILE 76 CO 0.06 0.11 0.38 -0.78 -0.69 0.00 0.00 178.15 177.22 1rhx h ASP 77 N 0.58 0.13 0.57 1.72 3.58 -1.59 -0.25 116.42 121.16 1rhx h ASP 77 Ca 0.37 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1rhx h ASP 77 Cb 0.43 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1rhx h ASP 77 CO -0.30 0.07 -0.16 0.18 -2.88 0.00 0.00 179.24 176.15 1rhx n LEU 78 N -4.42 0.34 0.00 2.28 4.77 -0.21 -4.20 117.00 115.55 1rhx n LEU 78 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1rhx n LEU 78 Cb 0.52 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1rhx n LEU 78 CO 0.36 0.07 0.00 0.18 -1.33 0.00 0.00 177.39 176.67 1rhx n LEU 79 N -1.24 0.54 -3.20 2.23 4.77 -0.16 -4.94 117.00 115.02 1rhx n LEU 79 Ca 0.10 0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 1rhx n LEU 79 Cb 0.31 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1rhx n LEU 79 CO 0.27 -0.19 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.35 1rhx n GLU 80 N -1.64 -1.05 -0.59 3.23 -0.58 -0.87 -3.43 120.64 115.71 1rhx n GLU 80 Ca 0.00 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1rhx n GLU 80 Cb 0.00 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.01 1.34 2.67 0.62 0.00 -1.26 -5.08 105.19 102.47 1rhx n GLY 81 Ca -0.18 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1rhx n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rhx s GLU 82 N -1.72 0.05 -0.53 1.61 0.41 -1.22 -5.08 118.70 112.22 1rhx s GLU 82 Ca 0.00 0.15 0.07 0.00 -0.41 0.00 0.00 54.97 54.78 1rhx s GLU 82 Cb 0.00 -1.23 0.35 0.00 -1.78 0.00 0.00 34.13 31.47 1rhx s GLU 82 CO 0.00 -0.54 0.92 0.39 -0.49 0.00 0.00 175.26 175.53 1rhx n GLU 83 N 5.30 2.80 -2.22 1.61 1.02 -1.26 -4.81 120.64 123.07 1rhx n GLU 83 Ca -0.06 -4.54 -0.01 0.00 -0.02 0.00 0.00 57.16 52.54 1rhx n GLU 83 Cb 0.49 -2.12 0.05 0.00 -0.02 0.00 0.00 31.44 29.84 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rhx n LYS 84 N -0.16 1.38 0.00 3.49 5.02 -1.26 -4.91 118.16 121.72 1rhx n LYS 84 Ca 0.30 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 1rhx n LYS 84 Cb 0.47 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1rhx n PHE 85 N -0.30 0.00 -4.44 2.13 1.16 -1.26 -4.59 117.46 110.16 1rhx n PHE 85 Ca 0.11 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.48 1rhx n PHE 85 Cb 0.92 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.74 1rhx n PHE 85 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1rhx n ILE 86 N 0.00 0.00 -1.68 1.97 2.08 -1.08 -4.61 119.36 116.05 1rhx n ILE 86 Ca 0.00 -1.80 0.00 0.00 0.56 0.00 0.00 62.75 61.51 1rhx n ILE 86 Cb 0.00 0.56 0.00 0.00 -0.75 0.00 0.00 39.64 39.45 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72