#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 3.60 -0.24 -5.12 0.00 -1.26 -5.05 121.76 113.69 1rhx s ALA 2 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1rhx s ALA 2 Cb 0.00 -2.33 0.08 0.00 0.00 0.00 0.00 23.12 20.87 1rhx s ALA 2 CO 0.00 0.24 0.10 -0.51 0.00 0.00 0.00 175.76 175.59 1rhx s LEU 3 N -3.54 0.77 -0.27 0.00 1.02 -1.26 -5.03 118.68 110.37 1rhx s LEU 3 Ca 0.45 -1.07 0.09 0.00 0.02 0.00 0.00 54.13 53.62 1rhx s LEU 3 Cb -0.11 -0.41 0.46 0.00 0.02 0.00 0.00 46.19 46.15 1rhx s LEU 3 CO 0.30 -0.39 1.19 1.33 0.02 0.00 0.00 176.35 178.79 1rhx n VAL 4 N 5.18 2.35 -3.73 -1.59 0.24 -1.26 -3.84 118.33 115.67 1rhx n VAL 4 Ca -0.06 -3.94 -0.12 0.00 -2.04 0.00 0.00 64.34 58.18 1rhx n VAL 4 Cb 0.45 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.92 1rhx n VAL 4 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1rhx s LEU 5 N -3.52 0.44 -0.31 1.34 0.05 -0.57 -3.27 118.68 112.84 1rhx s LEU 5 Ca 0.47 0.69 0.16 0.00 0.05 0.00 0.00 54.13 55.50 1rhx s LEU 5 Cb 0.40 1.08 0.44 0.00 -2.05 0.00 0.00 46.19 46.06 1rhx s LEU 5 CO 0.02 -0.15 1.41 0.55 -0.55 0.00 0.00 176.35 177.63 1rhx n VAL 6 N 3.61 0.38 -1.77 1.48 3.14 -1.26 -4.48 118.33 119.43 1rhx n VAL 6 Ca -0.19 -1.57 -0.15 0.00 -2.96 0.00 0.00 64.34 59.47 1rhx n VAL 6 Cb 0.56 1.09 0.10 0.00 -1.06 0.00 0.00 33.84 34.52 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 -1.25 2.79 -2.31 1.45 2.85 -1.26 -2.40 118.16 118.03 1rhx n LYS 7 Ca -0.10 -3.73 -0.00 0.00 -1.05 0.00 0.00 58.31 53.42 1rhx n LYS 7 Cb 0.86 -2.06 0.05 0.00 -0.65 0.00 0.00 35.03 33.22 1rhx n LYS 7 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1rhx n TYR 8 N -0.89 0.11 0.00 5.58 4.19 -1.26 -4.15 117.16 120.73 1rhx n TYR 8 Ca 0.39 -1.51 0.00 0.00 3.31 0.00 0.00 57.90 60.09 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 -0.50 1.18 3.31 2.98 0.00 -1.19 -4.45 105.19 106.51 1rhx n GLY 9 Ca -0.03 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 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 4.10 -2.67 2.61 -2.24 -1.26 -4.21 114.28 110.61 1rhx n THR 10 Ca 0.00 -4.30 -0.02 0.00 -2.27 0.00 0.00 64.05 57.46 1rhx n THR 10 Cb 0.00 -2.43 0.10 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 6.15 -0.67 -3.65 3.42 -0.08 -1.26 -5.14 116.55 115.32 1rhx n ASP 11 Ca 0.43 -2.16 -0.07 0.00 -1.51 0.00 0.00 54.79 51.48 1rhx n ASP 11 Cb 0.42 0.37 -0.02 0.00 2.34 0.00 0.00 41.12 44.23 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 -0.82 -0.29 0.67 -0.67 -3.43 -1.26 -4.76 115.29 104.73 1rhx s HIS 12 Ca 0.13 0.00 -0.13 0.00 -0.80 0.00 0.00 55.06 54.27 1rhx s HIS 12 Cb 0.39 0.61 -0.00 0.00 -1.43 0.00 0.00 32.58 32.15 1rhx s HIS 12 CO -0.10 -0.86 1.07 -1.25 -2.00 0.00 0.00 174.74 171.59 1rhx s PRO 13 N -3.50 2.97 0.00 -0.38 0.04 -1.26 -4.23 135.00 128.64 1rhx s PRO 13 Ca 0.08 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1rhx s PRO 13 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1rhx s PRO 13 CO -0.03 -1.08 0.00 0.28 0.04 0.00 0.00 177.00 176.21 1rhx n VAL 14 N -2.73 0.00 -1.75 -0.36 0.31 -1.26 -4.75 118.33 107.79 1rhx n VAL 14 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1rhx n VAL 14 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1rhx n VAL 14 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1rhx n GLU 15 N 0.00 0.00 0.06 5.55 -0.00 -1.26 -0.96 120.64 124.03 1rhx n GLU 15 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 1rhx n GLU 15 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 31.44 31.31 1rhx n GLU 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rhx n LYS 16 N 0.00 0.00 0.09 3.44 3.00 -1.26 -4.52 118.16 118.90 1rhx n LYS 16 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1rhx n LYS 16 Cb 0.50 0.00 0.56 0.00 0.00 0.00 0.00 35.03 36.09 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 0.20 -1.36 3.14 -0.00 -1.91 0.85 115.31 116.23 1rhx h LEU 17 Ca 0.00 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 1rhx h LEU 17 Cb 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.57 1rhx h LEU 17 CO 0.00 0.14 0.49 0.07 -0.00 0.00 0.00 178.44 179.14 1rhx h LYS 18 N 0.23 0.73 -0.21 1.13 -0.00 -1.84 -1.85 116.57 114.77 1rhx h LYS 18 Ca 0.13 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.65 60.69 1rhx h LYS 18 Cb 0.21 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 32.27 1rhx h LYS 18 CO -0.02 0.48 -0.03 0.82 -0.00 0.00 0.00 179.45 180.70 1rhx h ILE 19 N 0.75 1.28 0.00 0.07 2.04 -1.17 0.52 117.51 120.99 1rhx h ILE 19 Ca 0.33 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1rhx h ILE 19 Cb 0.32 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1rhx h ILE 19 CO -0.12 0.30 -0.03 0.03 0.00 0.00 0.00 178.15 178.33 1rhx h ARG 20 N 0.12 0.00 -0.28 2.37 3.08 -1.33 -3.39 114.38 114.95 1rhx h ARG 20 Ca 0.05 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.29 1rhx h ARG 20 Cb 0.46 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.33 1rhx h ARG 20 CO 0.02 0.03 -0.06 -1.12 -1.07 0.00 0.00 179.97 177.77 1rhx s SER 21 N -5.91 -0.45 -0.01 7.04 0.01 -0.95 -5.13 113.70 108.30 1rhx s SER 21 Ca -0.04 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 1rhx s SER 21 Cb 0.14 1.08 0.11 0.00 0.21 0.00 0.00 66.02 67.57 1rhx s SER 21 CO 0.52 -0.07 1.29 0.00 0.41 0.00 0.00 173.24 175.39 1rhx s ALA 22 N 2.68 -2.29 0.08 1.44 0.00 0.15 -4.45 121.76 119.37 1rhx s ALA 22 Ca 0.24 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1rhx s ALA 22 Cb -0.01 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.60 1rhx s ALA 22 CO -0.21 -1.08 0.08 1.17 0.00 0.00 0.00 175.76 175.73 1rhx n LYS 23 N -0.60 0.12 -0.08 0.00 3.00 -1.26 -4.90 118.16 114.43 1rhx n LYS 23 Ca -0.06 -0.77 -0.04 0.00 -0.00 0.00 0.00 58.31 57.44 1rhx n LYS 23 Cb 0.62 0.66 0.17 0.00 0.00 0.00 0.00 35.03 36.47 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 1.34 1.09 -0.30 3.14 0.00 -1.97 -3.18 119.26 119.39 1rhx h ALA 24 Ca -0.06 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 1rhx h ALA 24 Cb 0.29 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1rhx h ALA 24 CO 0.08 0.57 0.26 -1.91 0.00 0.00 0.00 179.25 178.25 1rhx n GLU 25 N -4.20 1.49 -4.04 0.00 0.00 -1.26 -3.90 120.64 108.74 1rhx n GLU 25 Ca 0.02 -0.98 -0.23 0.00 0.00 0.00 0.00 57.16 55.98 1rhx n GLU 25 Cb 0.32 -1.38 -0.06 0.00 0.00 0.00 0.00 31.44 30.33 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 0.82 4.86 -0.07 4.31 -1.08 -1.20 -5.07 116.67 119.23 1rhx s ASP 26 Ca 0.19 -0.68 -0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1rhx s ASP 26 Cb 0.15 -0.82 0.02 0.00 -1.46 0.00 0.00 42.92 40.82 1rhx s ASP 26 CO -0.00 -0.29 -0.03 -0.54 0.52 0.00 0.00 175.17 174.83 1rhx s LYS 27 N -3.87 0.91 0.07 4.34 3.01 -1.26 -2.98 119.74 119.96 1rhx s LYS 27 Ca 0.38 -0.05 -0.09 0.00 -1.01 0.00 0.00 55.97 55.20 1rhx s LYS 27 Cb -0.04 -1.09 0.00 0.00 -1.01 0.00 0.00 37.83 35.70 1rhx s LYS 27 CO 0.24 -0.22 0.19 0.42 0.51 0.00 0.00 175.35 176.49 1rhx s ILE 28 N 1.57 0.13 0.04 2.17 1.01 -1.13 -4.86 121.20 120.12 1rhx s ILE 28 Ca -0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 1rhx s ILE 28 Cb -0.13 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1rhx s ILE 28 CO -0.04 -0.59 0.32 -0.69 0.00 0.00 0.00 174.94 173.94 1rhx s VAL 29 N -3.32 0.08 0.06 2.92 1.01 -1.26 -3.64 120.40 116.24 1rhx s VAL 29 Ca 0.01 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1rhx s VAL 29 Cb 0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1rhx s VAL 29 CO -0.08 -0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 173.90 1rhx s LEU 30 N -2.03 3.44 0.41 3.92 1.43 0.13 -4.94 118.68 121.03 1rhx s LEU 30 Ca -0.05 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1rhx s LEU 30 Cb -0.01 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1rhx s LEU 30 CO -0.03 0.21 0.18 0.27 0.23 0.00 0.00 176.35 177.21 1rhx s ILE 31 N -1.22 0.39 0.00 -0.59 -4.36 -1.19 -1.32 121.20 112.92 1rhx s ILE 31 Ca 0.23 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1rhx s ILE 31 Cb -0.12 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.28 1rhx s ILE 31 CO 0.15 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.33 1rhx n GLN 32 N -0.90 0.00 -0.03 0.37 1.13 -1.26 -0.06 117.38 116.62 1rhx n GLN 32 Ca -0.04 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.08 1rhx n GLN 32 Cb 0.64 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.83 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 0.84 0.27 -0.35 1.08 3.02 -1.26 -4.22 115.26 114.64 1rhx n ASN 33 Ca 0.00 0.00 0.37 0.00 -0.03 0.00 0.00 54.58 54.92 1rhx n ASN 33 Cb 0.00 1.70 0.68 0.00 -0.61 0.00 0.00 39.78 41.56 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 3.78 0.00 -1.02 7.41 0.00 -0.11 -1.84 103.07 111.29 1rhx h GLY 34 Ca -0.13 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.62 1rhx h GLY 34 CO 0.01 0.00 0.94 -0.39 0.00 0.00 0.00 176.54 177.10 1rhx h VAL 35 N 0.00 0.20 -1.19 4.60 -1.51 -1.53 -0.86 116.25 115.97 1rhx h VAL 35 Ca 0.60 -0.03 0.35 0.00 -1.23 0.00 0.00 66.70 66.39 1rhx h VAL 35 Cb 2.75 0.10 -0.10 0.00 -2.13 0.00 0.00 31.29 31.91 1rhx h VAL 35 CO -0.01 0.02 0.78 -0.26 -1.23 0.00 0.00 177.57 176.87 1rhx h PHE 36 N 0.10 0.50 0.00 5.19 -1.00 -1.67 -0.84 116.94 119.22 1rhx h PHE 36 Ca 0.77 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.56 1rhx h PHE 36 Cb 2.61 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 42.04 1rhx h PHE 36 CO -0.00 -0.05 -0.02 -1.49 -1.61 0.00 0.00 178.31 175.14 1rhx h TRP 37 N 0.22 0.00 -0.15 -0.55 4.06 -1.42 -2.31 115.95 115.81 1rhx h TRP 37 Ca 0.68 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.54 1rhx h TRP 37 Cb 2.07 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 30.18 1rhx h TRP 37 CO -0.00 0.02 0.12 0.00 -3.56 0.00 0.00 178.44 175.02 1rhx n ALA 38 N -2.15 4.11 0.00 1.49 0.00 -0.32 -3.86 120.51 119.78 1rhx n ALA 38 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1rhx n ALA 38 Cb 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.99 0.00 0.00 0.00 -0.00 -0.87 -0.59 117.00 116.54 1rhx n LEU 39 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1rhx n LEU 39 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1rhx n LEU 39 CO 0.11 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.88 1rhx n GLU 40 N 0.00 0.94 -2.35 1.47 -0.58 -1.25 -4.99 120.64 113.87 1rhx n GLU 40 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1rhx n GLU 40 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 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 0.00 2.19 -1.31 3.49 0.28 -1.26 -5.05 120.64 118.98 1rhx n GLU 41 Ca 0.00 -3.59 0.00 0.00 -0.16 0.00 0.00 57.16 53.41 1rhx n GLU 41 Cb 0.00 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.18 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 -0.57 0.00 0.00 -1.84 4.77 -1.26 -5.12 117.00 112.97 1rhx n LEU 42 Ca 0.20 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1rhx n LEU 42 Cb 0.88 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.98 1rhx n LEU 42 CO 0.16 0.00 0.31 -1.84 -1.33 0.00 0.00 177.39 174.70 1rhx n GLU 43 N 0.00 0.48 -4.39 3.23 0.28 -1.26 -4.91 120.64 114.06 1rhx n GLU 43 Ca 0.00 -0.97 -0.28 0.00 -0.16 0.00 0.00 57.16 55.75 1rhx n GLU 43 Cb 0.00 1.24 -0.13 0.00 1.43 0.00 0.00 31.44 33.98 1rhx n GLU 43 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1rhx s THR 44 N -2.47 2.26 -1.52 3.84 -1.32 -0.13 -4.24 115.64 112.05 1rhx s THR 44 Ca 0.09 -1.80 0.25 0.00 -1.21 0.00 0.00 61.69 59.03 1rhx s THR 44 Cb -0.02 -2.01 0.49 0.00 -1.51 0.00 0.00 72.50 69.45 1rhx s THR 44 CO 0.05 0.05 1.85 -0.81 -2.21 0.00 0.00 174.62 173.55 1rhx n PRO 45 N 0.81 0.43 -1.79 7.08 -0.04 -1.26 -4.88 135.00 135.35 1rhx n PRO 45 Ca -0.17 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1rhx n PRO 45 Cb 0.53 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.48 2.04 0.33 0.55 0.00 -1.24 -4.38 121.76 116.58 1rhx s ALA 46 Ca 0.26 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 1rhx s ALA 46 Cb 0.17 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 1rhx s ALA 46 CO 0.37 -2.49 0.97 -1.59 0.00 0.00 0.00 175.76 173.01 1rhx s LYS 47 N -5.75 4.52 -0.03 0.00 -2.85 -1.16 -5.01 119.74 109.46 1rhx s LYS 47 Ca 0.72 1.38 -0.03 0.00 -1.00 0.00 0.00 55.97 57.04 1rhx s LYS 47 Cb -0.06 -2.78 0.01 0.00 -2.06 0.00 0.00 37.83 32.94 1rhx s LYS 47 CO 0.53 0.21 0.08 0.08 0.10 0.00 0.00 175.35 176.35 1rhx s VAL 48 N -1.60 -0.00 0.15 1.79 1.01 -1.26 -2.85 120.40 117.63 1rhx s VAL 48 Ca 0.51 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 1rhx s VAL 48 Cb -0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1rhx s VAL 48 CO 0.25 0.01 0.26 -0.31 0.00 0.00 0.00 175.10 175.31 1rhx s TYR 49 N 0.15 0.35 0.13 5.22 1.51 -1.24 -4.41 117.35 119.06 1rhx s TYR 49 Ca -0.01 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 55.39 1rhx s TYR 49 Cb -0.02 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 1rhx s TYR 49 CO -0.00 -0.67 -0.15 0.00 -1.11 0.00 0.00 175.55 173.61 1rhx s ALA 50 N -3.94 1.64 -0.44 3.71 0.00 -0.61 -0.69 121.76 121.43 1rhx s ALA 50 Ca 0.14 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 1rhx s ALA 50 Cb 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1rhx s ALA 50 CO -0.03 0.14 1.22 0.42 0.00 0.00 0.00 175.76 177.51 1rhx s ILE 51 N -2.09 4.14 0.12 0.00 -1.09 -0.43 -0.78 121.20 121.08 1rhx s ILE 51 Ca 0.11 1.19 -0.27 0.00 -2.23 0.00 0.00 60.65 59.44 1rhx s ILE 51 Cb -0.05 -4.46 -0.06 0.00 -1.58 0.00 0.00 42.46 36.31 1rhx s ILE 51 CO 0.04 -0.88 1.61 0.50 -1.23 0.00 0.00 174.94 174.99 1rhx h LYS 52 N 9.54 -0.47 -0.59 2.79 3.64 -1.02 -1.51 116.57 128.94 1rhx h LYS 52 Ca -0.24 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1rhx h LYS 52 Cb 1.07 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.90 1rhx h LYS 52 CO 1.11 -0.31 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.48 1rhx h ASP 53 N -0.48 -0.37 -0.69 4.20 5.19 -1.92 0.11 116.42 122.46 1rhx h ASP 53 Ca 0.06 0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1rhx h ASP 53 Cb 0.57 0.30 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 1rhx h ASP 53 CO -0.26 -0.14 0.32 0.44 -3.12 0.00 0.00 179.24 176.47 1rhx h ASP 54 N 0.07 0.91 -0.30 6.45 3.32 -1.82 0.21 116.42 125.26 1rhx h ASP 54 Ca 0.30 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1rhx h ASP 54 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1rhx h ASP 54 CO -0.55 0.80 0.20 0.15 -1.72 0.00 0.00 179.24 178.12 1rhx h PHE 55 N 0.96 0.38 -0.78 4.55 3.57 -0.10 -0.06 116.94 125.46 1rhx h PHE 55 Ca 0.23 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1rhx h PHE 55 Cb 0.14 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1rhx h PHE 55 CO 0.01 0.25 0.32 -0.07 -2.23 0.00 0.00 178.31 176.58 1rhx h LEU 56 N 0.41 1.07 0.00 0.59 3.38 -0.62 0.17 115.31 120.31 1rhx h LEU 56 Ca 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rhx h LEU 56 Cb -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1rhx h LEU 56 CO -0.02 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1rhx n ALA 57 N -2.44 1.85 -1.63 1.53 0.00 0.71 -1.72 120.51 118.81 1rhx n ALA 57 Ca 0.07 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1rhx n ALA 57 Cb 0.18 -1.27 0.09 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.40 2.83 -3.94 0.00 0.00 0.04 -4.99 116.66 109.20 1rhx n ARG 58 Ca 0.06 -3.61 -0.40 0.00 -0.00 0.00 0.00 57.85 53.90 1rhx n ARG 58 Cb 0.17 -2.17 0.02 0.00 0.00 0.00 0.00 32.46 30.49 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 -0.90 -0.94 3.41 5.14 0.00 -0.70 -5.00 105.19 106.21 1rhx n GLY 59 Ca 0.48 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.67 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 -3.44 2.07 0.77 1.61 2.02 -1.16 -5.04 117.35 114.19 1rhx s TYR 60 Ca 0.43 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 1rhx s TYR 60 Cb -0.21 -0.95 0.06 0.00 -0.40 0.00 0.00 41.96 40.45 1rhx s TYR 60 CO 0.94 0.53 1.14 0.45 -1.57 0.00 0.00 175.55 177.04 1rhx s SER 61 N -3.19 4.83 0.07 2.29 0.15 -1.26 -4.49 113.70 112.10 1rhx s SER 61 Ca 0.24 0.95 -0.26 0.00 0.70 0.00 0.00 55.95 57.58 1rhx s SER 61 Cb -0.05 -1.57 -0.16 0.00 -1.71 0.00 0.00 66.02 62.53 1rhx s SER 61 CO 0.11 -1.72 1.64 -0.33 1.20 0.00 0.00 173.24 174.14 1rhx h GLU 62 N -0.92 -0.25 0.00 5.44 5.08 -1.99 -3.15 114.58 118.79 1rhx h GLU 62 Ca -0.46 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1rhx h GLU 62 Cb 1.30 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1rhx h GLU 62 CO 0.65 -0.12 0.00 -1.91 -1.00 0.00 0.00 179.01 176.63 1rhx n GLU 63 N -5.17 0.76 0.14 2.33 2.13 -1.26 -2.16 120.64 117.40 1rhx n GLU 63 Ca -0.09 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.72 1rhx n GLU 63 Cb 0.15 -1.39 0.19 0.00 0.27 0.00 0.00 31.44 30.65 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 0.00 -3.99 4.31 3.32 -1.95 -3.46 116.42 114.65 1rhx h ASP 64 Ca 0.00 -0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1rhx h ASP 64 Cb 0.00 -0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 1rhx h ASP 64 CO 0.00 0.60 0.27 -0.55 -1.72 0.00 0.00 179.24 177.84 1rhx s SER 65 N -6.86 6.15 -0.31 6.45 0.15 -0.92 -4.91 113.70 113.45 1rhx s SER 65 Ca -0.01 1.15 0.07 0.00 0.70 0.00 0.00 55.95 57.85 1rhx s SER 65 Cb 0.13 -2.29 0.46 0.00 -1.71 0.00 0.00 66.02 62.61 1rhx s SER 65 CO 0.76 -0.80 1.30 2.29 1.20 0.00 0.00 173.24 177.99 1rhx n LYS 66 N -2.55 2.98 -3.82 5.44 2.85 0.24 -5.00 118.16 118.29 1rhx n LYS 66 Ca 0.04 -3.84 -0.09 0.00 -1.05 0.00 0.00 58.31 53.37 1rhx n LYS 66 Cb 0.55 -2.11 -0.06 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 -4.23 0.09 0.09 0.58 -7.23 -1.26 -4.93 120.40 103.50 1rhx s VAL 67 Ca 0.49 -1.06 -0.31 0.00 -1.81 0.00 0.00 61.98 59.30 1rhx s VAL 67 Cb 0.41 -1.49 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 1rhx s VAL 67 CO 0.01 -0.40 1.57 -2.16 -0.31 0.00 0.00 175.10 173.81 1rhx s PRO 68 N -3.88 4.23 -0.58 4.82 0.04 -1.26 -4.80 135.00 133.57 1rhx s PRO 68 Ca 0.09 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 1rhx s PRO 68 Cb 0.03 -3.45 0.10 0.00 0.04 0.00 0.00 34.50 31.22 1rhx s PRO 68 CO -0.07 -0.65 0.68 -0.51 0.04 0.00 0.00 177.00 176.49 1rhx s LEU 69 N 2.09 5.38 0.41 -3.56 1.43 -1.26 -1.57 118.68 121.61 1rhx s LEU 69 Ca 0.71 -1.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 1rhx s LEU 69 Cb -0.39 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1rhx s LEU 69 CO 0.31 -1.07 0.57 0.27 0.23 0.00 0.00 176.35 176.67 1rhx s ILE 70 N 2.60 3.36 0.76 -0.59 -4.36 0.04 -4.67 121.20 118.33 1rhx s ILE 70 Ca 0.11 -0.92 -0.12 0.00 -0.26 0.00 0.00 60.65 59.47 1rhx s ILE 70 Cb -0.24 -3.16 0.05 0.00 1.25 0.00 0.00 42.46 40.36 1rhx s ILE 70 CO 0.07 -0.07 1.14 0.42 0.24 0.00 0.00 174.94 176.73 1rhx s THR 71 N -2.37 2.78 0.24 8.37 -4.23 -1.26 -0.44 115.64 118.75 1rhx s THR 71 Ca 0.52 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 1rhx s THR 71 Cb -0.10 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 70.71 1rhx s THR 71 CO 0.33 -0.33 1.83 1.88 -0.54 0.00 0.00 174.62 177.79 1rhx h TYR 72 N -0.85 0.91 -0.67 3.99 0.05 -1.95 -2.51 116.97 115.94 1rhx h TYR 72 Ca -0.45 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.32 1rhx h TYR 72 Cb 1.29 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 1rhx h TYR 72 CO 0.41 0.41 0.27 0.66 -1.05 0.00 0.00 178.16 178.87 1rhx h SER 73 N 0.87 0.92 -0.88 3.88 4.64 -2.00 -2.19 113.55 118.79 1rhx h SER 73 Ca 0.39 -0.17 0.07 0.00 -0.47 0.00 0.00 61.79 61.61 1rhx h SER 73 Cb 0.29 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 1rhx h SER 73 CO -0.22 0.83 0.57 -0.33 -0.87 0.00 0.00 176.83 176.82 1rhx h GLU 74 N 0.94 0.95 -0.50 4.77 5.08 -1.83 -0.88 114.58 123.11 1rhx h GLU 74 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1rhx h GLU 74 Cb 0.20 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1rhx h GLU 74 CO -0.02 0.63 0.22 0.35 -1.00 0.00 0.00 179.01 179.19 1rhx h PHE 75 N 0.98 0.75 -0.85 4.33 3.57 -1.06 -3.07 116.94 121.58 1rhx h PHE 75 Ca 0.38 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.92 1rhx h PHE 75 Cb 0.23 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 1rhx h PHE 75 CO -0.00 0.61 0.51 0.82 -2.23 0.00 0.00 178.31 178.02 1rhx h ILE 76 N 0.67 0.97 -0.41 1.41 1.08 -0.60 -0.14 117.51 120.49 1rhx h ILE 76 Ca 0.17 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 1rhx h ILE 76 Cb 0.16 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.90 1rhx h ILE 76 CO -0.02 0.16 0.27 -0.78 -0.69 0.00 0.00 178.15 177.10 1rhx h ASP 77 N 0.89 0.35 1.38 1.72 1.82 -1.37 -1.35 116.42 119.86 1rhx h ASP 77 Ca 0.39 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.01 1rhx h ASP 77 Cb 0.28 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 1rhx h ASP 77 CO -0.21 0.24 -0.09 -0.07 -1.61 0.00 0.00 179.24 177.50 1rhx h LEU 78 N 0.41 0.00 0.00 2.28 3.38 -0.93 -3.37 115.31 117.07 1rhx h LEU 78 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rhx h LEU 78 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rhx h LEU 78 CO -0.04 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.76 1rhx n LEU 79 N -3.17 0.00 -3.26 1.67 4.77 -0.52 -4.86 117.00 111.63 1rhx n LEU 79 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 1rhx n LEU 79 Cb 0.45 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1rhx n LEU 79 CO 0.32 0.00 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.71 1rhx n GLU 80 N 0.00 -3.27 0.00 3.23 -0.58 -1.16 -2.95 120.64 115.92 1rhx n GLU 80 Ca 0.00 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1rhx n GLU 80 Cb 0.00 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 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 -1.13 0.29 2.43 0.62 0.00 -1.26 -5.07 105.19 101.08 1rhx n GLY 81 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.42 -0.64 1.61 -0.58 -1.15 -5.00 120.64 116.30 1rhx n GLU 82 Ca 0.00 -3.57 -0.04 0.00 -0.42 0.00 0.00 57.16 53.13 1rhx n GLU 82 Cb 0.00 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.16 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 0.07 1.28 -2.37 3.49 0.28 -1.26 -4.12 120.64 118.00 1rhx n GLU 83 Ca 0.22 -0.33 0.01 0.00 -0.16 0.00 0.00 57.16 56.89 1rhx n GLU 83 Cb 0.68 -1.36 0.04 0.00 1.43 0.00 0.00 31.44 32.23 1rhx n GLU 83 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1rhx n LYS 84 N 1.88 1.14 -2.53 3.44 2.85 -1.26 -4.83 118.16 118.85 1rhx n LYS 84 Ca 0.14 -2.85 -0.02 0.00 -1.05 0.00 0.00 58.31 54.53 1rhx n LYS 84 Cb 0.61 -0.94 0.11 0.00 -0.65 0.00 0.00 35.03 34.16 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1rhx n PHE 85 N -0.31 -1.91 -1.70 5.58 -1.74 -1.26 -4.19 117.46 111.94 1rhx n PHE 85 Ca 0.04 -1.62 -0.08 0.00 -0.56 0.00 0.00 57.45 55.24 1rhx n PHE 85 Cb 0.91 1.48 0.05 0.00 1.52 0.00 0.00 39.48 43.44 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 -1.43 0.00 -1.08 1.97 2.08 -1.25 -4.60 119.36 115.06 1rhx n ILE 86 Ca -0.19 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 62.76 1rhx n ILE 86 Cb 0.86 -1.61 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72