#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 3.19 -0.06 -5.12 0.00 -1.26 -4.95 121.76 113.56 1rhx s ALA 2 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1rhx s ALA 2 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.12 1rhx s ALA 2 CO 0.00 0.21 0.09 -0.51 0.00 0.00 0.00 175.76 175.55 1rhx s LEU 3 N -2.73 0.09 -0.21 0.00 1.43 -1.26 -5.03 118.68 110.96 1rhx s LEU 3 Ca 0.55 0.11 0.20 0.00 -1.03 0.00 0.00 54.13 53.96 1rhx s LEU 3 Cb -0.12 -0.04 0.48 0.00 0.03 0.00 0.00 46.19 46.54 1rhx s LEU 3 CO 0.17 -0.25 1.14 1.33 0.23 0.00 0.00 176.35 178.97 1rhx n VAL 4 N 5.31 1.33 -3.80 -1.59 0.24 -1.26 -3.50 118.33 115.05 1rhx n VAL 4 Ca -0.04 -2.82 -0.12 0.00 -2.04 0.00 0.00 64.34 59.32 1rhx n VAL 4 Cb 0.50 0.67 -0.10 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.99 1.10 -0.45 1.34 0.05 -0.43 -3.31 118.68 113.99 1rhx s LEU 5 Ca 0.34 0.19 0.07 0.00 0.05 0.00 0.00 54.13 54.77 1rhx s LEU 5 Cb 0.35 0.96 0.32 0.00 -2.05 0.00 0.00 46.19 45.77 1rhx s LEU 5 CO -0.05 -0.28 1.07 0.55 -0.55 0.00 0.00 176.35 177.08 1rhx n VAL 6 N 2.00 -0.02 -2.52 1.48 3.14 -1.26 -4.46 118.33 116.70 1rhx n VAL 6 Ca -0.18 -1.81 -0.07 0.00 -2.96 0.00 0.00 64.34 59.32 1rhx n VAL 6 Cb 0.57 1.31 0.04 0.00 -1.06 0.00 0.00 33.84 34.71 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 0.43 2.19 -2.34 1.45 2.85 -1.26 -2.77 118.16 118.72 1rhx n LYS 7 Ca 0.08 -3.60 -0.01 0.00 -1.05 0.00 0.00 58.31 53.73 1rhx n LYS 7 Cb 0.69 -1.71 0.05 0.00 -0.65 0.00 0.00 35.03 33.42 1rhx n LYS 7 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rhx n TYR 8 N -0.58 -0.14 0.00 5.58 4.01 -1.26 -4.47 117.16 120.30 1rhx n TYR 8 Ca 0.19 -1.54 0.00 0.00 -0.16 0.00 0.00 57.90 56.39 1rhx n TYR 8 Cb 0.87 0.43 0.00 0.00 -0.31 0.00 0.00 39.34 40.33 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 -0.64 1.11 2.23 2.72 0.00 -1.23 -4.34 105.19 105.04 1rhx n GLY 9 Ca -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 1.94 -2.01 2.61 -2.24 -1.26 -3.43 114.28 109.88 1rhx n THR 10 Ca 0.00 -3.55 -0.15 0.00 -2.27 0.00 0.00 64.05 58.08 1rhx n THR 10 Cb 0.00 -0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.64 3.92 -3.65 3.42 5.75 -1.26 -4.98 116.55 119.11 1rhx n ASP 11 Ca 0.27 -3.61 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 1rhx n ASP 11 Cb 0.90 -0.39 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 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 -3.46 -0.00 0.71 2.11 -3.43 -1.26 -4.55 115.29 105.40 1rhx s HIS 12 Ca 0.46 -0.19 -0.11 0.00 -0.80 0.00 0.00 55.06 54.42 1rhx s HIS 12 Cb 0.39 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 32.15 1rhx s HIS 12 CO 0.01 -0.47 1.07 -1.25 -2.00 0.00 0.00 174.74 172.10 1rhx s PRO 13 N -2.30 2.83 0.00 -0.38 0.04 -1.26 -4.21 135.00 129.72 1rhx s PRO 13 Ca 0.21 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1rhx s PRO 13 Cb 0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1rhx s PRO 13 CO -0.00 -1.18 0.00 0.28 0.04 0.00 0.00 177.00 176.13 1rhx n VAL 14 N -3.17 0.00 -1.46 -0.36 0.31 -1.26 -4.70 118.33 107.68 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 0.01 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.15 0.09 5.55 1.02 -1.26 -1.41 120.64 124.78 1rhx n GLU 15 Ca 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1rhx n GLU 15 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.07 0.00 0.31 3.49 3.00 -1.26 -4.65 118.16 118.98 1rhx n LYS 16 Ca 0.01 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.50 1rhx n LYS 16 Cb 0.60 0.00 1.03 0.00 0.00 0.00 0.00 35.03 36.66 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 -0.39 3.14 -0.00 -1.90 0.84 115.31 116.99 1rhx h LEU 17 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1rhx h LEU 17 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1rhx h LEU 17 CO 0.00 0.00 0.24 0.07 -0.00 0.00 0.00 178.44 178.75 1rhx h LYS 18 N 0.00 0.47 -0.47 1.13 -0.00 -1.83 -2.17 116.57 113.69 1rhx h LYS 18 Ca 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1rhx h LYS 18 Cb 0.04 -0.11 -0.02 0.00 -0.00 0.00 0.00 32.23 32.14 1rhx h LYS 18 CO -0.00 0.31 0.31 0.97 -0.00 0.00 0.00 179.45 181.04 1rhx h ILE 19 N 0.48 1.09 -0.00 0.07 2.10 -1.17 0.56 117.51 120.64 1rhx h ILE 19 Ca 0.15 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1rhx h ILE 19 Cb -0.01 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 1rhx h ILE 19 CO -0.06 0.11 -0.02 0.54 -1.08 0.00 0.00 178.15 177.63 1rhx n ARG 20 N -4.47 0.90 0.00 2.19 1.74 -0.85 -4.67 116.66 111.51 1rhx n ARG 20 Ca 0.04 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1rhx n ARG 20 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1rhx n ARG 20 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1rhx n SER 21 N -0.91 0.00 -3.64 0.55 7.64 -0.32 -4.83 113.62 112.12 1rhx n SER 21 Ca 0.20 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 1rhx n SER 21 Cb 0.20 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1rhx n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rhx s ALA 22 N 0.00 -2.05 0.05 -0.43 0.00 0.04 -4.58 121.76 114.78 1rhx s ALA 22 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1rhx s ALA 22 Cb 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.46 1rhx s ALA 22 CO 0.00 -0.95 0.02 1.17 0.00 0.00 0.00 175.76 176.00 1rhx n LYS 23 N -0.40 0.93 0.07 0.00 3.00 -1.26 -4.88 118.16 115.62 1rhx n LYS 23 Ca -0.06 -0.39 -0.13 0.00 -0.00 0.00 0.00 58.31 57.72 1rhx n LYS 23 Cb 0.61 0.21 -0.05 0.00 0.00 0.00 0.00 35.03 35.81 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 1.07 0.36 -0.01 3.14 0.00 -1.98 -3.30 119.26 118.54 1rhx h ALA 24 Ca -0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1rhx h ALA 24 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rhx h ALA 24 CO 0.06 0.83 0.01 -0.85 0.00 0.00 0.00 179.25 179.30 1rhx n GLU 25 N -3.73 1.02 -4.12 0.00 -0.00 -1.26 -3.76 120.64 108.79 1rhx n GLU 25 Ca -0.07 -0.04 -0.24 0.00 -0.00 0.00 0.00 57.16 56.82 1rhx n GLU 25 Cb 0.84 -1.01 -0.07 0.00 -0.00 0.00 0.00 31.44 31.20 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 1.74 4.56 -0.06 -1.84 -1.08 -1.25 -5.01 116.67 113.73 1rhx s ASP 26 Ca 0.01 -0.87 0.01 0.00 -0.52 0.00 0.00 52.55 51.18 1rhx s ASP 26 Cb 0.01 -0.64 0.02 0.00 -1.46 0.00 0.00 42.92 40.85 1rhx s ASP 26 CO 0.00 -0.36 -0.08 -0.54 0.52 0.00 0.00 175.17 174.71 1rhx s LYS 27 N -3.85 1.27 0.11 4.34 1.02 -1.26 -1.67 119.74 119.70 1rhx s LYS 27 Ca 0.38 -0.24 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1rhx s LYS 27 Cb -0.01 -1.18 0.02 0.00 -0.52 0.00 0.00 37.83 36.14 1rhx s LYS 27 CO 0.22 -0.07 0.33 0.42 -0.92 0.00 0.00 175.35 175.33 1rhx s ILE 28 N 0.98 0.09 0.04 2.17 1.01 -0.86 -4.82 121.20 119.81 1rhx s ILE 28 Ca -0.10 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1rhx s ILE 28 Cb -0.15 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.14 1rhx s ILE 28 CO 0.00 -0.43 0.31 -0.69 0.00 0.00 0.00 174.94 174.13 1rhx s VAL 29 N -3.75 0.08 0.04 2.92 1.01 -1.26 -3.26 120.40 116.18 1rhx s VAL 29 Ca 0.03 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.45 1rhx s VAL 29 Cb 0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1rhx s VAL 29 CO -0.11 -0.36 -0.25 -0.76 0.00 0.00 0.00 175.10 173.62 1rhx s LEU 30 N -1.98 2.22 0.00 3.92 1.43 -0.43 -4.86 118.68 118.98 1rhx s LEU 30 Ca -0.06 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1rhx s LEU 30 Cb -0.01 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1rhx s LEU 30 CO -0.02 0.27 0.08 2.30 0.23 0.00 0.00 176.35 179.21 1rhx n ILE 31 N 1.82 0.00 0.00 -0.59 -5.35 -1.11 -0.87 119.36 113.25 1rhx n ILE 31 Ca -0.17 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 1rhx n ILE 31 Cb 0.52 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 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 -0.36 0.00 0.08 6.28 1.13 -1.26 0.19 117.38 123.43 1rhx n GLN 32 Ca -0.01 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.06 1rhx n GLN 32 Cb 0.27 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.58 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 -0.59 1.08 2.35 -1.80 -3.32 115.58 113.30 1rhx h ASN 33 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.92 1rhx h ASN 33 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1rhx h ASN 33 CO 0.00 0.54 1.04 1.23 -1.65 0.00 0.00 177.43 178.59 1rhx h GLY 34 N 3.62 0.00 1.43 2.83 0.00 -0.30 0.13 103.07 110.78 1rhx h GLY 34 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1rhx h GLY 34 CO 0.05 0.00 0.28 -0.39 0.00 0.00 0.00 176.54 176.49 1rhx h VAL 35 N 0.00 0.01 -0.02 4.60 -1.51 -1.38 -0.91 116.25 117.04 1rhx h VAL 35 Ca 0.28 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.75 1rhx h VAL 35 Cb 2.35 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 32.23 1rhx h VAL 35 CO -0.00 0.00 0.03 -0.26 -1.23 0.00 0.00 177.57 176.11 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -0.93 -1.26 116.94 119.98 1rhx h PHE 36 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rhx h PHE 36 Cb 0.57 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1rhx h PHE 36 CO 0.00 0.00 -0.02 -1.49 -0.60 0.00 0.00 178.31 176.20 1rhx h TRP 37 N 0.00 0.00 -0.43 -0.55 4.06 -1.18 -2.98 115.95 114.87 1rhx h TRP 37 Ca 0.01 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.68 1rhx h TRP 37 Cb 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.10 1rhx h TRP 37 CO 0.00 0.02 0.37 0.00 -3.56 0.00 0.00 178.44 175.26 1rhx n ALA 38 N -2.14 4.89 0.00 1.49 0.00 -0.48 -3.88 120.51 120.39 1rhx n ALA 38 Ca -0.02 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1rhx n ALA 38 Cb 0.13 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.41 0.00 0.00 0.00 -0.00 -1.13 -1.68 117.00 114.60 1rhx n LEU 39 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1rhx n LEU 39 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1rhx n LEU 39 CO 0.33 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.10 1rhx n GLU 40 N 0.00 1.00 -3.22 1.47 -0.58 -1.25 -5.08 120.64 112.98 1rhx n GLU 40 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 1rhx n GLU 40 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1rhx n GLU 40 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rhx n GLU 41 N -0.93 2.09 0.00 3.49 1.02 -1.26 -5.02 120.64 120.04 1rhx n GLU 41 Ca 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 57.16 52.91 1rhx n GLU 41 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1rhx n GLU 41 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1rhx n LEU 42 N 0.63 0.00 -3.52 -4.62 7.94 -1.26 -5.09 117.00 111.08 1rhx n LEU 42 Ca 0.28 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.09 1rhx n LEU 42 Cb 0.47 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 1rhx n LEU 42 CO 0.32 0.00 0.63 -1.83 -1.11 0.00 0.00 177.39 175.40 1rhx s GLU 43 N 1.97 0.96 -0.02 1.96 -1.05 -1.26 -5.01 118.70 116.24 1rhx s GLU 43 Ca 0.00 -0.38 0.02 0.00 -0.15 0.00 0.00 54.97 54.46 1rhx s GLU 43 Cb 0.00 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 1rhx s GLU 43 CO 0.00 -0.42 -0.05 -0.08 0.95 0.00 0.00 175.26 175.66 1rhx s THR 44 N -3.26 3.83 -1.85 1.83 -1.32 -0.50 -4.57 115.64 109.80 1rhx s THR 44 Ca 0.05 -0.62 0.31 0.00 -1.21 0.00 0.00 61.69 60.22 1rhx s THR 44 Cb -0.01 -2.64 0.78 0.00 -1.51 0.00 0.00 72.50 69.12 1rhx s THR 44 CO -0.08 0.46 2.14 -0.81 -2.21 0.00 0.00 174.62 174.11 1rhx n PRO 45 N 1.74 0.82 -1.74 7.08 -0.04 -1.26 -4.90 135.00 136.71 1rhx n PRO 45 Ca -0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 1rhx n PRO 45 Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.15 2.23 0.34 0.55 0.00 -1.24 -4.52 121.76 116.96 1rhx s ALA 46 Ca 0.42 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 1rhx s ALA 46 Cb 0.21 -2.97 -0.10 0.00 0.00 0.00 0.00 23.12 20.26 1rhx s ALA 46 CO 0.38 -2.02 0.97 -1.59 0.00 0.00 0.00 175.76 173.51 1rhx s LYS 47 N -5.48 4.49 -0.05 0.00 -2.85 -0.67 -4.96 119.74 110.23 1rhx s LYS 47 Ca 0.64 1.37 -0.03 0.00 -1.00 0.00 0.00 55.97 56.95 1rhx s LYS 47 Cb -0.12 -2.74 0.02 0.00 -2.06 0.00 0.00 37.83 32.93 1rhx s LYS 47 CO 0.51 0.18 0.12 0.08 0.10 0.00 0.00 175.35 176.35 1rhx s VAL 48 N -1.63 -0.02 -0.02 1.79 1.01 -1.26 -2.02 120.40 118.25 1rhx s VAL 48 Ca 0.52 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1rhx s VAL 48 Cb -0.19 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1rhx s VAL 48 CO 0.25 0.03 0.01 -0.31 0.00 0.00 0.00 175.10 175.07 1rhx s TYR 49 N 0.52 0.15 0.11 5.22 2.02 -1.20 -4.29 117.35 119.89 1rhx s TYR 49 Ca -0.04 0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1rhx s TYR 49 Cb -0.05 -0.24 -0.05 0.00 -0.40 0.00 0.00 41.96 41.22 1rhx s TYR 49 CO -0.02 -0.07 0.32 0.00 -1.57 0.00 0.00 175.55 174.21 1rhx s ALA 50 N 0.67 3.86 -0.47 3.71 0.00 -0.49 -1.32 121.76 127.71 1rhx s ALA 50 Ca -0.06 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1rhx s ALA 50 Cb -0.09 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 21.02 1rhx s ALA 50 CO -0.02 0.72 1.22 0.42 0.00 0.00 0.00 175.76 178.10 1rhx s ILE 51 N -1.60 4.10 0.13 0.00 -1.09 -0.05 -0.75 121.20 121.94 1rhx s ILE 51 Ca 0.39 1.10 -0.21 0.00 -2.23 0.00 0.00 60.65 59.70 1rhx s ILE 51 Cb -0.12 -4.51 -0.03 0.00 -1.58 0.00 0.00 42.46 36.22 1rhx s ILE 51 CO 0.25 -0.98 1.69 0.50 -1.23 0.00 0.00 174.94 175.18 1rhx h LYS 52 N 9.70 -0.06 -0.54 2.79 3.64 -1.12 -0.48 116.57 130.50 1rhx h LYS 52 Ca -0.24 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1rhx h LYS 52 Cb 1.07 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.80 1rhx h LYS 52 CO 1.12 -0.04 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.59 1rhx h ASP 53 N -0.06 -0.82 -0.56 4.20 3.32 -1.91 0.85 116.42 121.43 1rhx h ASP 53 Ca 0.09 0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1rhx h ASP 53 Cb 0.20 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1rhx h ASP 53 CO -0.21 -0.26 0.03 0.44 -1.72 0.00 0.00 179.24 177.53 1rhx h ASP 54 N -0.11 0.97 -0.50 6.45 3.32 -1.79 0.76 116.42 125.53 1rhx h ASP 54 Ca 0.25 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1rhx h ASP 54 Cb 0.49 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1rhx h ASP 54 CO -0.61 1.00 0.11 0.15 -1.72 0.00 0.00 179.24 178.17 1rhx h PHE 55 N 0.93 0.85 -0.75 4.55 3.57 0.01 -1.32 116.94 124.78 1rhx h PHE 55 Ca 0.17 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1rhx h PHE 55 Cb 0.49 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1rhx h PHE 55 CO 0.03 0.76 0.26 -0.07 -2.23 0.00 0.00 178.31 177.06 1rhx h LEU 56 N 0.69 1.07 0.00 0.59 3.38 -0.75 -0.30 115.31 119.98 1rhx h LEU 56 Ca 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rhx h LEU 56 Cb 0.35 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rhx h LEU 56 CO 0.00 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.51 1rhx n ALA 57 N -2.44 2.29 -2.05 1.53 0.00 0.25 -2.80 120.51 117.28 1rhx n ALA 57 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1rhx n ALA 57 Cb 0.21 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.87 2.60 -2.39 0.00 0.00 -0.15 -5.01 116.66 110.84 1rhx n ARG 58 Ca 0.12 -3.71 -0.20 0.00 -0.00 0.00 0.00 57.85 54.06 1rhx n ARG 58 Cb 0.06 -1.87 -0.01 0.00 0.00 0.00 0.00 32.46 30.64 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 -0.72 -0.44 3.95 5.14 0.00 -1.12 -4.99 105.19 107.00 1rhx n GLY 59 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.98 1.54 0.29 1.61 2.02 -1.04 -5.05 117.35 113.76 1rhx s TYR 60 Ca 0.00 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 55.92 1rhx s TYR 60 Cb 0.00 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1rhx s TYR 60 CO 0.00 -0.70 0.10 0.45 -1.57 0.00 0.00 175.55 173.83 1rhx n SER 61 N -1.92 1.29 0.00 2.29 2.88 -1.26 -4.51 113.62 112.38 1rhx n SER 61 Ca 0.04 -2.54 0.14 0.00 -1.33 0.00 0.00 58.87 55.18 1rhx n SER 61 Cb 0.63 0.69 0.72 0.00 -0.75 0.00 0.00 64.21 65.50 1rhx n SER 61 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rhx n GLU 62 N -0.67 0.45 -0.00 -1.46 1.02 -1.26 -3.39 120.64 115.33 1rhx n GLU 62 Ca -0.05 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.20 1rhx n GLU 62 Cb 0.43 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.26 1.04 0.08 3.49 2.13 -1.26 -4.60 120.64 120.26 1rhx n GLU 63 Ca 0.14 -0.07 -0.03 0.00 0.66 0.00 0.00 57.16 57.86 1rhx n GLU 63 Cb 0.21 -1.35 0.18 0.00 0.27 0.00 0.00 31.44 30.75 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 0.29 -4.04 4.31 5.19 -1.98 -3.46 116.42 116.73 1rhx h ASP 64 Ca 0.00 -0.14 -0.45 0.00 -0.62 0.00 0.00 57.03 55.83 1rhx h ASP 64 Cb 0.57 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1rhx h ASP 64 CO 0.00 0.72 0.35 -0.55 -3.12 0.00 0.00 179.24 176.64 1rhx s SER 65 N -6.88 6.91 -0.58 6.45 0.15 -1.26 -4.97 113.70 113.52 1rhx s SER 65 Ca -0.05 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1rhx s SER 65 Cb 0.13 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.41 1rhx s SER 65 CO 0.78 -0.38 1.96 2.29 1.20 0.00 0.00 173.24 179.09 1rhx n LYS 66 N -0.55 2.58 -3.76 5.44 2.85 -0.67 -4.94 118.16 119.10 1rhx n LYS 66 Ca 0.07 -3.24 -0.09 0.00 -1.05 0.00 0.00 58.31 53.99 1rhx n LYS 66 Cb 0.53 -2.25 -0.04 0.00 -0.65 0.00 0.00 35.03 32.63 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 0.02 -0.11 0.58 -7.23 -1.26 -4.96 120.40 103.09 1rhx s VAL 67 Ca 0.62 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 1rhx s VAL 67 Cb 0.49 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1rhx s VAL 67 CO 0.03 -0.11 1.57 -2.16 -0.31 0.00 0.00 175.10 174.12 1rhx s PRO 68 N -3.88 4.10 -0.20 4.82 0.04 -1.26 -4.88 135.00 133.73 1rhx s PRO 68 Ca 0.10 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1rhx s PRO 68 Cb -0.01 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1rhx s PRO 68 CO -0.02 -0.92 1.05 -0.51 0.04 0.00 0.00 177.00 176.63 1rhx s LEU 69 N 4.21 4.13 0.42 -3.56 1.43 -1.26 -1.40 118.68 122.65 1rhx s LEU 69 Ca 0.70 1.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.26 1rhx s LEU 69 Cb -0.29 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 1rhx s LEU 69 CO 0.27 -0.63 0.03 0.27 0.23 0.00 0.00 176.35 176.52 1rhx s ILE 70 N 3.00 1.37 0.72 -0.59 -4.36 0.07 -4.85 121.20 116.55 1rhx s ILE 70 Ca 0.45 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.80 1rhx s ILE 70 Cb -0.16 -2.60 0.10 0.00 1.25 0.00 0.00 42.46 41.04 1rhx s ILE 70 CO 0.09 0.00 1.00 0.42 0.24 0.00 0.00 174.94 176.69 1rhx s THR 71 N -2.95 2.26 0.34 8.37 -4.23 -1.26 -0.50 115.64 117.67 1rhx s THR 71 Ca 0.25 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1rhx s THR 71 Cb 0.06 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.33 1rhx s THR 71 CO 0.12 0.00 1.99 1.88 -0.54 0.00 0.00 174.62 178.07 1rhx h TYR 72 N -0.59 0.85 -0.09 3.99 0.05 -1.97 -2.45 116.97 116.77 1rhx h TYR 72 Ca -0.41 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.24 1rhx h TYR 72 Cb 1.28 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1rhx h TYR 72 CO -0.05 0.52 -0.61 0.77 -1.05 0.00 0.00 178.16 177.75 1rhx h SER 73 N 0.90 0.36 -0.73 3.88 0.02 -2.00 -1.61 113.55 114.38 1rhx h SER 73 Ca 0.27 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1rhx h SER 73 Cb -0.04 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1rhx h SER 73 CO -0.07 0.89 0.23 -0.33 -1.14 0.00 0.00 176.83 176.41 1rhx h GLU 74 N 0.24 1.14 -0.24 3.45 4.39 -1.91 -2.50 114.58 119.15 1rhx h GLU 74 Ca -0.01 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1rhx h GLU 74 Cb 1.13 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1rhx h GLU 74 CO 0.10 0.97 0.13 0.35 -1.16 0.00 0.00 179.01 179.40 1rhx h PHE 75 N 1.10 0.33 -0.68 4.33 3.57 -1.06 -2.70 116.94 121.83 1rhx h PHE 75 Ca 0.24 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.80 1rhx h PHE 75 Cb 0.31 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1rhx h PHE 75 CO 0.03 0.29 0.37 0.82 -2.23 0.00 0.00 178.31 177.58 1rhx h ILE 76 N 0.27 0.93 0.00 1.41 1.08 -1.13 -0.98 117.51 119.10 1rhx h ILE 76 Ca 0.08 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1rhx h ILE 76 Cb 0.07 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 1rhx h ILE 76 CO -0.01 0.12 0.00 -0.78 -0.69 0.00 0.00 178.15 176.79 1rhx h ASP 77 N 0.66 0.00 1.21 1.72 3.58 -1.18 0.10 116.42 122.51 1rhx h ASP 77 Ca 0.31 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.68 1rhx h ASP 77 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1rhx h ASP 77 CO -0.21 0.00 -0.41 -0.07 -2.88 0.00 0.00 179.24 175.67 1rhx h LEU 78 N 0.00 0.00 0.00 2.28 3.38 -0.87 -3.40 115.31 116.70 1rhx h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rhx h LEU 78 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rhx h LEU 78 CO 0.00 0.41 0.00 0.18 0.09 0.00 0.00 178.44 179.12 1rhx n LEU 79 N -3.34 0.00 -3.57 1.67 4.77 0.01 -4.92 117.00 111.63 1rhx n LEU 79 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 1rhx n LEU 79 Cb 0.61 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1rhx n LEU 79 CO 0.38 0.00 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.69 1rhx n GLU 80 N 0.00 -0.75 0.00 3.23 -0.58 -1.13 -3.38 120.64 118.03 1rhx n GLU 80 Ca 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1rhx n GLU 80 Cb 0.00 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 1.03 2.44 0.62 0.00 -1.26 -5.03 105.19 101.63 1rhx n GLY 81 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1rhx n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rhx n GLU 82 N -0.32 2.46 -2.04 1.61 4.07 -1.22 -5.01 120.64 120.18 1rhx n GLU 82 Ca 0.00 -3.74 -0.42 0.00 -0.06 0.00 0.00 57.16 52.94 1rhx n GLU 82 Cb 0.00 -1.85 -0.00 0.00 -0.06 0.00 0.00 31.44 29.53 1rhx n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1rhx n GLU 83 N -0.63 3.56 -2.36 5.31 0.00 -1.26 -4.41 120.64 120.84 1rhx n GLU 83 Ca 0.22 -3.16 -0.00 0.00 0.00 0.00 0.00 57.16 54.22 1rhx n GLU 83 Cb 0.87 -2.97 0.05 0.00 0.00 0.00 0.00 31.44 29.39 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1rhx n LYS 84 N 4.14 1.14 -2.21 5.31 5.02 -1.26 -4.93 118.16 125.37 1rhx n LYS 84 Ca 0.49 -2.52 -0.02 0.00 -2.02 0.00 0.00 58.31 54.24 1rhx n LYS 84 Cb 0.34 -0.69 0.08 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.50 -1.41 -1.97 2.13 -1.74 -1.23 -4.35 117.46 108.38 1rhx n PHE 85 Ca -0.01 -1.22 -0.10 0.00 -0.56 0.00 0.00 57.45 55.56 1rhx n PHE 85 Cb 0.88 1.23 0.06 0.00 1.52 0.00 0.00 39.48 43.17 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 -1.06 0.00 -0.96 1.97 2.08 -1.23 -4.37 119.36 115.80 1rhx n ILE 86 Ca -0.15 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1rhx n ILE 86 Cb 0.77 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 38.22 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72