#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 -1.50 -0.35 3.17 0.00 -1.26 -5.12 121.76 116.70 1rhx s ALA 2 Ca 0.00 1.87 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 1rhx s ALA 2 Cb 0.00 -1.10 0.13 0.00 0.00 0.00 0.00 23.12 22.15 1rhx s ALA 2 CO 0.00 -0.31 0.19 -0.51 0.00 0.00 0.00 175.76 175.13 1rhx s LEU 3 N 0.95 1.41 -0.26 0.00 1.43 -1.26 -5.00 118.68 115.95 1rhx s LEU 3 Ca -0.05 -2.03 0.12 0.00 -1.03 0.00 0.00 54.13 51.14 1rhx s LEU 3 Cb -0.05 -0.58 0.47 0.00 0.03 0.00 0.00 46.19 46.05 1rhx s LEU 3 CO -0.08 -0.34 1.17 1.33 0.23 0.00 0.00 176.35 178.66 1rhx n VAL 4 N 4.28 2.10 -3.15 -1.59 0.24 -1.26 -3.76 118.33 115.20 1rhx n VAL 4 Ca 0.06 -3.69 0.04 0.00 -2.04 0.00 0.00 64.34 58.72 1rhx n VAL 4 Cb 0.38 -0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.46 -1.31 -0.46 1.34 0.05 -0.75 -2.65 118.68 111.44 1rhx s LEU 5 Ca 0.43 0.60 0.08 0.00 0.05 0.00 0.00 54.13 55.29 1rhx s LEU 5 Cb 0.38 2.01 0.39 0.00 -2.05 0.00 0.00 46.19 46.92 1rhx s LEU 5 CO 0.00 -0.24 0.98 0.55 -0.55 0.00 0.00 176.35 177.09 1rhx n VAL 6 N 5.42 2.11 -2.19 1.48 3.14 -1.26 -4.73 118.33 122.30 1rhx n VAL 6 Ca 0.00 -4.86 -0.17 0.00 -2.96 0.00 0.00 64.34 56.35 1rhx n VAL 6 Cb 0.52 -0.92 0.04 0.00 -1.06 0.00 0.00 33.84 32.42 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 -0.25 3.04 -2.29 1.45 2.85 -1.26 -2.64 118.16 119.06 1rhx n LYS 7 Ca 0.30 -3.94 0.01 0.00 -1.05 0.00 0.00 58.31 53.63 1rhx n LYS 7 Cb 0.59 -2.06 0.04 0.00 -0.65 0.00 0.00 35.03 32.95 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 -0.69 0.47 0.00 5.58 4.19 -1.26 -4.46 117.16 121.00 1rhx n TYR 8 Ca 0.34 -1.48 0.00 0.00 3.31 0.00 0.00 57.90 60.07 1rhx n TYR 8 Cb 0.92 0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.76 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 -0.30 0.78 2.97 2.98 0.00 -1.20 -4.44 105.19 105.97 1rhx n GLY 9 Ca 0.02 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 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 4.45 -2.77 2.61 -2.24 -1.26 -4.17 114.28 110.89 1rhx n THR 10 Ca 0.00 -4.63 -0.01 0.00 -2.27 0.00 0.00 64.05 57.14 1rhx n THR 10 Cb 0.00 -2.35 0.07 0.00 -2.10 0.00 0.00 70.33 65.95 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 3.82 0.70 -3.76 3.42 2.03 -1.26 -5.13 116.55 116.37 1rhx n ASP 11 Ca 0.38 -2.07 -0.09 0.00 0.52 0.00 0.00 54.79 53.53 1rhx n ASP 11 Cb 0.37 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.59 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 -2.59 -0.20 0.74 -0.67 -3.43 -1.26 -4.84 115.29 103.03 1rhx s HIS 12 Ca 0.22 -0.18 -0.11 0.00 -0.80 0.00 0.00 55.06 54.20 1rhx s HIS 12 Cb 0.35 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 32.12 1rhx s HIS 12 CO -0.07 -1.08 1.08 -1.25 -2.00 0.00 0.00 174.74 171.41 1rhx s PRO 13 N -3.89 2.53 0.00 -0.38 0.04 -1.26 -4.26 135.00 127.78 1rhx s PRO 13 Ca 0.10 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1rhx s PRO 13 Cb -0.04 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1rhx s PRO 13 CO 0.01 -1.39 0.00 0.28 0.04 0.00 0.00 177.00 175.94 1rhx n VAL 14 N -3.33 0.00 0.00 -0.36 0.31 -1.26 -4.73 118.33 108.96 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 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.28 0.11 5.55 -0.00 -1.26 -0.69 120.64 125.64 1rhx n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1rhx n GLU 15 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 31.44 31.16 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 -0.31 0.00 0.29 3.44 3.00 -1.26 -4.40 118.16 118.92 1rhx n LYS 16 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1rhx n LYS 16 Cb 0.00 -0.04 0.89 0.00 0.00 0.00 0.00 35.03 35.88 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 -1.38 3.14 -0.00 -1.91 0.86 115.31 116.02 1rhx h LEU 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1rhx h LEU 17 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 1rhx h LEU 17 CO 0.00 0.04 0.38 0.07 -0.00 0.00 0.00 178.44 178.93 1rhx h LYS 18 N 0.00 0.79 0.00 1.13 -0.00 -1.83 -2.36 116.57 114.30 1rhx h LYS 18 Ca -0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.65 60.46 1rhx h LYS 18 Cb 0.12 -0.17 -0.02 0.00 -0.00 0.00 0.00 32.23 32.16 1rhx h LYS 18 CO 0.01 0.54 -0.63 0.82 -0.00 0.00 0.00 179.45 180.18 1rhx h ILE 19 N 0.81 1.33 -0.12 0.07 2.04 -1.09 0.15 117.51 120.71 1rhx h ILE 19 Ca 0.22 -2.27 -0.05 0.00 1.00 0.00 0.00 64.86 63.76 1rhx h ILE 19 Cb -0.07 2.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1rhx h ILE 19 CO -0.04 0.62 -0.12 0.03 0.00 0.00 0.00 178.15 178.64 1rhx h ARG 20 N 0.00 0.29 -2.10 2.37 3.08 -1.40 -3.43 114.38 113.18 1rhx h ARG 20 Ca -0.01 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1rhx h ARG 20 Cb 1.21 0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.98 1rhx h ARG 20 CO 0.08 0.70 -0.45 0.45 -1.07 0.00 0.00 179.97 179.68 1rhx s SER 21 N -6.05 0.09 0.00 7.04 0.15 -0.92 -5.14 113.70 108.88 1rhx s SER 21 Ca -0.14 0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1rhx s SER 21 Cb 0.04 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1rhx s SER 21 CO 0.74 -0.28 0.00 0.00 1.20 0.00 0.00 173.24 174.90 1rhx n ALA 22 N 5.37 0.00 -3.06 5.45 0.00 0.02 -4.31 120.51 123.98 1rhx n ALA 22 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1rhx n ALA 22 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 1rhx n ALA 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1rhx n LYS 23 N -0.56 0.04 0.20 0.00 3.00 -1.26 -4.83 118.16 114.75 1rhx n LYS 23 Ca 0.00 -0.13 0.04 0.00 -0.00 0.00 0.00 58.31 58.22 1rhx n LYS 23 Cb 0.00 0.11 0.41 0.00 0.00 0.00 0.00 35.03 35.54 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 1.04 1.46 -0.36 3.14 0.00 -1.99 -3.24 119.26 119.31 1rhx h ALA 24 Ca -0.01 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 1rhx h ALA 24 Cb 0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1rhx h ALA 24 CO 0.01 0.39 0.30 -0.85 0.00 0.00 0.00 179.25 179.10 1rhx n GLU 25 N -4.13 1.57 -4.19 0.00 0.28 -1.26 -3.69 120.64 109.22 1rhx n GLU 25 Ca -0.02 -1.17 -0.24 0.00 -0.16 0.00 0.00 57.16 55.57 1rhx n GLU 25 Cb 0.36 -1.46 -0.07 0.00 1.43 0.00 0.00 31.44 31.70 1rhx n GLU 25 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1rhx s ASP 26 N 0.48 4.42 0.01 -1.84 2.15 -1.22 -5.05 116.67 115.63 1rhx s ASP 26 Ca 0.23 -0.96 0.02 0.00 0.43 0.00 0.00 52.55 52.26 1rhx s ASP 26 Cb 0.18 -0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 42.22 1rhx s ASP 26 CO 0.01 -0.38 -0.05 -0.54 -0.17 0.00 0.00 175.17 174.04 1rhx s LYS 27 N -3.83 0.41 0.14 4.34 1.02 -1.26 -1.79 119.74 118.76 1rhx s LYS 27 Ca 0.38 -0.36 -0.18 0.00 0.02 0.00 0.00 55.97 55.83 1rhx s LYS 27 Cb 0.01 -0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.06 1rhx s LYS 27 CO 0.22 0.07 0.47 0.42 -0.92 0.00 0.00 175.35 175.61 1rhx s ILE 28 N -0.55 0.04 0.11 2.17 1.01 -0.49 -4.80 121.20 118.69 1rhx s ILE 28 Ca -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1rhx s ILE 28 Cb -0.05 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1rhx s ILE 28 CO -0.00 -0.20 0.11 -0.69 0.00 0.00 0.00 174.94 174.16 1rhx s VAL 29 N -3.80 0.14 0.04 2.92 1.01 -1.26 -3.78 120.40 115.67 1rhx s VAL 29 Ca 0.03 -1.61 0.08 0.00 0.00 0.00 0.00 61.98 60.47 1rhx s VAL 29 Cb 0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1rhx s VAL 29 CO -0.11 -0.61 -0.22 -0.76 0.00 0.00 0.00 175.10 173.39 1rhx s LEU 30 N -2.96 2.15 0.00 3.92 1.43 -0.89 -4.91 118.68 117.42 1rhx s LEU 30 Ca 0.14 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1rhx s LEU 30 Cb 0.06 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 1rhx s LEU 30 CO -0.05 0.20 0.08 2.30 0.23 0.00 0.00 176.35 179.12 1rhx n ILE 31 N 1.91 0.00 0.00 -0.59 -5.35 -1.08 -0.43 119.36 113.82 1rhx n ILE 31 Ca -0.17 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.41 1rhx n ILE 31 Cb 0.53 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 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 -0.28 0.00 0.12 6.28 1.13 -1.26 0.20 117.38 123.57 1rhx n GLN 32 Ca 0.01 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 1rhx n GLN 32 Cb 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.57 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 -1.14 1.08 -0.26 -1.80 -3.34 115.58 110.12 1rhx h ASN 33 Ca 0.00 0.00 0.33 0.00 -0.56 0.00 0.00 56.30 56.07 1rhx h ASN 33 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1rhx h ASN 33 CO 0.00 0.60 0.96 1.23 -1.06 0.00 0.00 177.43 179.16 1rhx h GLY 34 N 3.42 0.00 -0.27 2.83 0.00 -0.23 -0.94 103.07 107.88 1rhx h GLY 34 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.55 1rhx h GLY 34 CO 0.08 0.00 0.91 -0.39 0.00 0.00 0.00 176.54 177.14 1rhx h VAL 35 N 0.00 0.15 -1.07 4.60 -1.51 -1.32 -1.84 116.25 115.26 1rhx h VAL 35 Ca 0.54 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 66.32 1rhx h VAL 35 Cb 2.45 0.27 -0.12 0.00 -2.13 0.00 0.00 31.29 31.76 1rhx h VAL 35 CO -0.01 0.00 0.66 -0.26 -1.23 0.00 0.00 177.57 176.74 1rhx h PHE 36 N 0.00 0.77 0.00 5.19 -1.00 -1.48 -0.99 116.94 119.43 1rhx h PHE 36 Ca 0.38 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1rhx h PHE 36 Cb 2.20 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 41.55 1rhx h PHE 36 CO 0.00 -0.04 0.00 -1.49 -1.61 0.00 0.00 178.31 175.17 1rhx h TRP 37 N 0.36 0.00 -0.22 -0.55 4.06 -1.60 -2.71 115.95 115.29 1rhx h TRP 37 Ca 0.68 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.48 1rhx h TRP 37 Cb 1.68 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.77 1rhx h TRP 37 CO -0.01 0.00 0.19 0.00 -3.56 0.00 0.00 178.44 175.06 1rhx n ALA 38 N -1.90 4.38 -2.52 1.49 0.00 -0.38 -3.67 120.51 117.91 1rhx n ALA 38 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 53.44 52.69 1rhx n ALA 38 Cb 0.15 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 0.89 -0.21 0.00 0.00 -0.00 -1.02 -0.74 117.00 115.92 1rhx n LEU 39 Ca 0.14 -1.32 0.00 0.00 -0.00 0.00 0.00 56.01 54.83 1rhx n LEU 39 Cb 0.56 0.86 0.00 0.00 -0.00 0.00 0.00 43.42 44.84 1rhx n LEU 39 CO 0.17 1.10 0.00 -0.62 -0.00 0.00 0.00 177.39 178.04 1rhx n GLU 40 N -0.22 3.69 -1.73 1.47 -0.58 -1.24 -5.09 120.64 116.93 1rhx n GLU 40 Ca -0.03 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.55 1rhx n GLU 40 Cb 0.55 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.49 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 3.10 -2.44 3.49 0.28 -1.26 -5.00 120.64 118.82 1rhx n GLU 41 Ca 0.00 -3.95 0.01 0.00 -0.16 0.00 0.00 57.16 53.06 1rhx n GLU 41 Cb 0.00 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 30.77 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 -0.79 0.00 -3.88 -1.84 4.77 -1.26 -5.11 117.00 108.89 1rhx n LEU 42 Ca 0.37 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1rhx n LEU 42 Cb 0.91 0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 42.33 1rhx n LEU 42 CO 0.29 -0.00 0.43 -1.83 -1.33 0.00 0.00 177.39 174.95 1rhx s GLU 43 N -2.00 2.01 0.10 3.23 -1.05 -1.26 -4.87 118.70 114.85 1rhx s GLU 43 Ca 0.07 -1.34 0.10 0.00 -0.15 0.00 0.00 54.97 53.65 1rhx s GLU 43 Cb -0.00 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1rhx s GLU 43 CO -0.01 -0.91 -0.25 -0.08 0.95 0.00 0.00 175.26 174.96 1rhx s THR 44 N -3.02 2.05 -1.90 1.83 -1.32 0.14 -4.26 115.64 109.17 1rhx s THR 44 Ca 0.17 -1.57 0.30 0.00 -1.21 0.00 0.00 61.69 59.37 1rhx s THR 44 Cb -0.04 -1.81 0.79 0.00 -1.51 0.00 0.00 72.50 69.92 1rhx s THR 44 CO 0.11 0.13 2.09 -0.81 -2.21 0.00 0.00 174.62 173.93 1rhx n PRO 45 N 1.24 0.84 -1.70 7.08 -0.04 -1.26 -4.90 135.00 136.26 1rhx n PRO 45 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 1rhx n PRO 45 Cb 0.53 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.05 -1.72 -2.06 0.55 0.00 -1.24 -4.61 120.51 110.37 1rhx n ALA 46 Ca 0.21 -1.64 -0.41 0.00 0.00 0.00 0.00 53.44 51.60 1rhx n ALA 46 Cb 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 1rhx n ALA 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rhx s LYS 47 N -5.72 4.71 -0.04 0.00 1.02 -0.74 -4.96 119.74 114.01 1rhx s LYS 47 Ca 0.71 1.54 -0.01 0.00 0.02 0.00 0.00 55.97 58.23 1rhx s LYS 47 Cb -0.03 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1rhx s LYS 47 CO 0.51 0.26 0.07 0.08 -0.92 0.00 0.00 175.35 175.34 1rhx s VAL 48 N -0.41 -0.09 -0.30 3.17 1.01 -1.25 -1.39 120.40 121.13 1rhx s VAL 48 Ca 0.46 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1rhx s VAL 48 Cb -0.26 -0.14 0.19 0.00 0.00 0.00 0.00 36.38 36.16 1rhx s VAL 48 CO 0.32 0.12 0.68 -0.31 0.00 0.00 0.00 175.10 175.92 1rhx s TYR 49 N 1.57 -1.40 0.11 5.22 2.02 -1.25 -4.39 117.35 119.23 1rhx s TYR 49 Ca -0.03 1.53 -0.05 0.00 -0.37 0.00 0.00 57.07 58.15 1rhx s TYR 49 Cb -0.12 0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 41.89 1rhx s TYR 49 CO -0.04 -0.76 0.35 0.00 -1.57 0.00 0.00 175.55 173.53 1rhx s ALA 50 N 2.87 3.81 -0.38 3.71 0.00 -0.07 -2.10 121.76 129.60 1rhx s ALA 50 Ca 0.16 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1rhx s ALA 50 Cb -0.14 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1rhx s ALA 50 CO -0.19 0.66 1.16 0.42 0.00 0.00 0.00 175.76 177.81 1rhx s ILE 51 N -1.55 4.30 0.18 0.00 -1.09 0.43 -0.60 121.20 122.87 1rhx s ILE 51 Ca 0.37 1.43 -0.16 0.00 -2.23 0.00 0.00 60.65 60.06 1rhx s ILE 51 Cb -0.13 -4.43 0.14 0.00 -1.58 0.00 0.00 42.46 36.46 1rhx s ILE 51 CO 0.22 -0.69 1.65 0.50 -1.23 0.00 0.00 174.94 175.39 1rhx h LYS 52 N 8.86 -0.02 -0.60 2.79 3.64 -0.96 -0.55 116.57 129.74 1rhx h LYS 52 Ca -0.23 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1rhx h LYS 52 Cb 1.07 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.78 1rhx h LYS 52 CO 1.07 -0.02 -0.11 0.22 -2.27 0.00 0.00 179.45 178.34 1rhx h ASP 53 N -0.03 -0.49 -0.18 4.20 3.58 -1.92 0.15 116.42 121.74 1rhx h ASP 53 Ca 0.23 0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.79 1rhx h ASP 53 Cb 0.37 0.35 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 1rhx h ASP 53 CO -0.50 -0.18 -0.12 0.44 -2.88 0.00 0.00 179.24 176.00 1rhx h ASP 54 N 0.02 0.42 -0.81 2.28 3.32 -1.71 -0.27 116.42 119.67 1rhx h ASP 54 Ca 0.29 -0.44 0.07 0.00 0.02 0.00 0.00 57.03 56.97 1rhx h ASP 54 Cb 0.46 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1rhx h ASP 54 CO -0.59 0.77 0.48 0.15 -1.72 0.00 0.00 179.24 178.33 1rhx h PHE 55 N 0.06 0.89 -0.20 4.55 3.57 -0.41 -0.52 116.94 124.89 1rhx h PHE 55 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1rhx h PHE 55 Cb 0.63 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1rhx h PHE 55 CO 0.07 0.42 0.05 -0.07 -2.23 0.00 0.00 178.31 176.55 1rhx h LEU 56 N 0.86 0.31 -0.32 0.59 3.38 -0.65 -2.35 115.31 117.14 1rhx h LEU 56 Ca 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1rhx h LEU 56 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1rhx h LEU 56 CO -0.20 0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1rhx n ALA 57 N -2.28 1.32 -1.46 1.53 0.00 -0.12 -2.45 120.51 117.05 1rhx n ALA 57 Ca -0.04 0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 1rhx n ALA 57 Cb 0.17 -1.18 0.11 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.72 2.62 -4.26 0.00 0.00 -0.27 -4.94 116.66 108.08 1rhx n ARG 58 Ca 0.01 -3.38 -0.35 0.00 -0.00 0.00 0.00 57.85 54.14 1rhx n ARG 58 Cb 0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.32 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 -0.97 -0.33 3.58 5.14 0.00 -1.03 -4.98 105.19 106.61 1rhx n GLY 59 Ca 0.54 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 46.41 1rhx n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rhx n TYR 60 N -4.36 0.02 -4.36 1.61 4.02 -1.17 -5.09 117.16 107.84 1rhx n TYR 60 Ca -0.07 -2.29 -0.18 0.00 -0.01 0.00 0.00 57.90 55.35 1rhx n TYR 60 Cb 0.56 -0.39 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1rhx n TYR 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1rhx s SER 61 N -3.93 2.23 0.34 7.72 1.04 -1.26 -4.73 113.70 115.11 1rhx s SER 61 Ca 0.19 -1.18 0.17 0.00 0.48 0.00 0.00 55.95 55.61 1rhx s SER 61 Cb -0.01 -0.07 0.55 0.00 0.10 0.00 0.00 66.02 66.59 1rhx s SER 61 CO 0.12 -0.41 1.68 -0.33 0.98 0.00 0.00 173.24 175.28 1rhx h GLU 62 N 2.43 0.00 0.00 4.02 5.08 -1.97 -1.35 114.58 122.79 1rhx h GLU 62 Ca -0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1rhx h GLU 62 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1rhx h GLU 62 CO 0.65 0.44 -0.25 1.49 -1.00 0.00 0.00 179.01 180.34 1rhx h GLU 63 N 0.00 0.00 0.00 2.33 4.57 -2.00 -3.21 114.58 116.27 1rhx h GLU 63 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1rhx h GLU 63 Cb 1.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 1rhx h GLU 63 CO 0.06 0.25 -0.31 -0.44 -1.18 0.00 0.00 179.01 177.38 1rhx h ASP 64 N 0.00 0.00 -3.17 1.04 3.32 -1.65 -3.43 116.42 112.53 1rhx h ASP 64 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1rhx h ASP 64 Cb 0.74 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1rhx h ASP 64 CO 0.03 0.31 0.67 -0.55 -1.72 0.00 0.00 179.24 177.99 1rhx s SER 65 N -6.56 7.17 -0.27 6.45 0.15 -1.21 -4.83 113.70 114.59 1rhx s SER 65 Ca -0.02 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1rhx s SER 65 Cb 0.13 -2.55 0.24 0.00 -1.71 0.00 0.00 66.02 62.13 1rhx s SER 65 CO 0.68 -0.55 1.82 2.29 1.20 0.00 0.00 173.24 178.68 1rhx n LYS 66 N 5.54 1.71 -3.76 5.44 2.85 0.08 -4.83 118.16 125.19 1rhx n LYS 66 Ca 0.10 -1.47 -0.10 0.00 -1.05 0.00 0.00 58.31 55.79 1rhx n LYS 66 Cb 0.47 -1.58 -0.05 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.99 0.05 0.23 0.58 -7.23 -1.26 -4.91 120.40 105.86 1rhx s VAL 67 Ca 0.29 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.30 1rhx s VAL 67 Cb 0.23 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 1rhx s VAL 67 CO 0.01 -0.22 1.27 -2.16 -0.31 0.00 0.00 175.10 173.70 1rhx s PRO 68 N -3.88 4.43 -0.61 4.82 0.04 -1.26 -4.80 135.00 133.73 1rhx s PRO 68 Ca 0.09 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 1rhx s PRO 68 Cb 0.01 -3.18 0.16 0.00 0.04 0.00 0.00 34.50 31.52 1rhx s PRO 68 CO -0.05 -0.17 0.52 -0.51 0.04 0.00 0.00 177.00 176.84 1rhx s LEU 69 N -0.58 6.09 0.48 -3.56 1.43 -1.26 -0.89 118.68 120.39 1rhx s LEU 69 Ca 0.53 -2.21 0.03 0.00 -1.03 0.00 0.00 54.13 51.45 1rhx s LEU 69 Cb -0.36 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1rhx s LEU 69 CO 0.41 -0.67 0.68 0.27 0.23 0.00 0.00 176.35 177.27 1rhx s ILE 70 N 0.92 3.25 0.53 -0.59 -4.36 0.23 -4.60 121.20 116.60 1rhx s ILE 70 Ca 0.10 -0.71 -0.02 0.00 -0.26 0.00 0.00 60.65 59.76 1rhx s ILE 70 Cb -0.22 -3.18 0.01 0.00 1.25 0.00 0.00 42.46 40.32 1rhx s ILE 70 CO -0.02 -0.11 0.79 0.42 0.24 0.00 0.00 174.94 176.26 1rhx s THR 71 N -2.57 3.48 0.24 8.37 -4.23 -1.26 -0.37 115.64 119.29 1rhx s THR 71 Ca 0.53 -0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 1rhx s THR 71 Cb -0.10 -3.33 0.26 0.00 1.34 0.00 0.00 72.50 70.66 1rhx s THR 71 CO 0.37 -0.28 1.65 1.88 -0.54 0.00 0.00 174.62 177.70 1rhx h TYR 72 N 0.07 0.01 0.00 3.99 -1.99 -1.97 -1.33 116.97 115.76 1rhx h TYR 72 Ca -0.45 0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.29 1rhx h TYR 72 Cb 1.27 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 40.10 1rhx h TYR 72 CO 0.43 -0.20 -0.22 0.77 -0.00 0.00 0.00 178.16 178.94 1rhx h SER 73 N 0.13 0.00 1.24 3.88 0.02 -2.00 -0.52 113.55 116.30 1rhx h SER 73 Ca 0.40 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1rhx h SER 73 Cb 0.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1rhx h SER 73 CO -0.61 0.22 -0.18 -0.33 -1.14 0.00 0.00 176.83 174.79 1rhx h GLU 74 N 0.00 0.00 -0.01 3.45 5.08 -1.63 -3.06 114.58 118.41 1rhx h GLU 74 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1rhx h GLU 74 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1rhx h GLU 74 CO 0.03 0.18 -0.10 0.35 -1.00 0.00 0.00 179.01 178.46 1rhx h PHE 75 N 0.00 0.13 -0.98 4.33 3.57 -0.87 -3.34 116.94 119.78 1rhx h PHE 75 Ca -0.00 -0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.61 1rhx h PHE 75 Cb 0.84 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.46 1rhx h PHE 75 CO 0.00 0.79 0.59 0.82 -2.23 0.00 0.00 178.31 178.28 1rhx h ILE 76 N -0.56 0.74 -0.92 1.41 1.08 -1.35 0.16 117.51 118.07 1rhx h ILE 76 Ca -0.01 -0.27 0.14 0.00 -0.39 0.00 0.00 64.86 64.34 1rhx h ILE 76 Cb 0.80 -0.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 1rhx h ILE 76 CO 0.02 0.14 0.59 -0.78 -0.69 0.00 0.00 178.15 177.43 1rhx h ASP 77 N 0.78 0.70 0.40 1.72 1.82 -1.66 -2.07 116.42 118.11 1rhx h ASP 77 Ca 0.55 0.04 -0.10 0.00 -0.39 0.00 0.00 57.03 57.14 1rhx h ASP 77 Cb 0.80 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 1rhx h ASP 77 CO -0.36 0.35 -0.44 -0.07 -1.61 0.00 0.00 179.24 177.11 1rhx h LEU 78 N 0.74 0.06 0.00 2.28 3.38 -0.80 -3.36 115.31 117.61 1rhx h LEU 78 Ca 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1rhx h LEU 78 Cb 0.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1rhx h LEU 78 CO -0.22 0.49 0.00 0.18 0.09 0.00 0.00 178.44 178.98 1rhx n LEU 79 N -4.01 0.00 -3.93 1.67 7.99 -0.79 -4.71 117.00 113.23 1rhx n LEU 79 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.69 1rhx n LEU 79 Cb 0.47 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.76 1rhx n LEU 79 CO 0.40 0.00 -0.22 -0.62 -1.51 0.00 0.00 177.39 175.44 1rhx n GLU 80 N 0.00 -0.65 0.00 3.23 -0.58 -1.17 -1.23 120.64 120.24 1rhx n GLU 80 Ca 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1rhx n GLU 80 Cb 0.00 -2.01 0.00 0.00 -0.57 0.00 0.00 31.44 28.86 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 -1.96 0.59 2.34 0.62 0.00 -1.26 -4.97 105.19 100.55 1rhx n GLY 81 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.89 3.02 -2.14 1.61 -0.58 -0.37 -4.97 120.64 115.32 1rhx n GLU 82 Ca 0.00 -3.67 -0.42 0.00 -0.42 0.00 0.00 57.16 52.65 1rhx n GLU 82 Cb 0.00 -2.28 -0.00 0.00 -0.57 0.00 0.00 31.44 28.59 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 -0.77 2.97 -2.39 3.49 0.28 -1.26 -4.30 120.64 118.66 1rhx n GLU 83 Ca 0.54 -2.91 -0.02 0.00 -0.16 0.00 0.00 57.16 54.61 1rhx n GLU 83 Cb 0.68 -3.39 0.07 0.00 1.43 0.00 0.00 31.44 30.23 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 7.26 1.17 -2.70 3.44 2.85 -1.26 -4.93 118.16 124.00 1rhx n LYS 84 Ca 0.50 -1.86 -0.03 0.00 -1.05 0.00 0.00 58.31 55.87 1rhx n LYS 84 Cb 0.43 -0.14 0.12 0.00 -0.65 0.00 0.00 35.03 34.78 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 -0.92 -1.67 -0.57 5.58 -1.74 -1.26 -4.53 117.46 112.35 1rhx n PHE 85 Ca -0.11 -1.85 0.00 0.00 -0.56 0.00 0.00 57.45 54.93 1rhx n PHE 85 Cb 0.85 1.30 0.00 0.00 1.52 0.00 0.00 39.48 43.16 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 -1.19 0.00 0.00 1.97 2.08 -1.25 -4.50 119.36 116.47 1rhx n ILE 86 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1rhx n ILE 86 Cb 0.86 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72