#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 0.80 -0.14 -5.12 0.00 -1.26 -5.04 121.76 111.01 1rhx s ALA 2 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1rhx s ALA 2 Cb 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1rhx s ALA 2 CO 0.00 0.14 0.18 -0.51 0.00 0.00 0.00 175.76 175.58 1rhx s LEU 3 N -0.79 -0.07 -0.25 0.00 1.43 -1.26 -5.04 118.68 112.70 1rhx s LEU 3 Ca -0.00 0.08 0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1rhx s LEU 3 Cb -0.06 0.31 0.47 0.00 0.03 0.00 0.00 46.19 46.94 1rhx s LEU 3 CO 0.00 -0.28 1.16 1.33 0.23 0.00 0.00 176.35 178.80 1rhx n VAL 4 N 5.32 1.84 -3.56 -1.59 0.24 -1.25 -2.96 118.33 116.36 1rhx n VAL 4 Ca -0.05 -3.38 -0.03 0.00 -2.04 0.00 0.00 64.34 58.84 1rhx n VAL 4 Cb 0.50 -0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 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 -3.32 -1.03 -0.37 1.34 0.05 -1.14 -4.01 118.68 110.19 1rhx s LEU 5 Ca 0.40 1.26 0.13 0.00 0.05 0.00 0.00 54.13 55.97 1rhx s LEU 5 Cb 0.37 1.99 0.43 0.00 -2.05 0.00 0.00 46.19 46.93 1rhx s LEU 5 CO -0.02 -0.23 0.96 0.55 -0.55 0.00 0.00 176.35 177.06 1rhx n VAL 6 N 5.43 1.31 -1.69 1.48 3.14 -1.26 -4.64 118.33 122.10 1rhx n VAL 6 Ca -0.09 -3.87 -0.20 0.00 -2.96 0.00 0.00 64.34 57.22 1rhx n VAL 6 Cb 0.49 -0.06 0.09 0.00 -1.06 0.00 0.00 33.84 33.31 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 -0.13 2.82 -2.42 1.45 2.85 -1.26 -2.50 118.16 118.97 1rhx n LYS 7 Ca 0.20 -3.66 -0.01 0.00 -1.05 0.00 0.00 58.31 53.79 1rhx n LYS 7 Cb 0.73 -2.13 0.06 0.00 -0.65 0.00 0.00 35.03 33.04 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 -0.89 0.05 0.00 5.58 4.01 -1.26 -4.07 117.16 120.57 1rhx n TYR 8 Ca 0.44 -1.62 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 1rhx n TYR 8 Cb 0.92 0.33 0.00 0.00 -0.31 0.00 0.00 39.34 40.28 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 -0.63 0.62 1.94 2.72 0.00 -1.16 -4.35 105.19 104.33 1rhx n GLY 9 Ca -0.03 0.63 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 2.86 -2.01 2.61 -2.24 -1.26 -4.15 114.28 110.09 1rhx n THR 10 Ca 0.00 -1.79 -0.19 0.00 -2.27 0.00 0.00 64.05 59.80 1rhx n THR 10 Cb 0.00 -1.29 0.04 0.00 -2.10 0.00 0.00 70.33 66.99 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 0.15 4.39 -3.68 3.42 2.03 -1.26 -5.01 116.55 116.58 1rhx n ASP 11 Ca 0.34 -3.67 -0.07 0.00 0.52 0.00 0.00 54.79 51.90 1rhx n ASP 11 Cb 0.61 -0.37 -0.02 0.00 -0.72 0.00 0.00 41.12 40.63 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 -3.55 -0.28 0.91 -0.67 -3.43 -1.26 -4.74 115.29 102.28 1rhx s HIS 12 Ca 0.48 -0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.59 1rhx s HIS 12 Cb 0.40 0.63 0.14 0.00 -1.43 0.00 0.00 32.58 32.32 1rhx s HIS 12 CO 0.02 -0.95 1.09 -1.25 -2.00 0.00 0.00 174.74 171.65 1rhx s PRO 13 N -3.62 1.14 0.00 -0.38 0.04 -1.26 -4.25 135.00 126.67 1rhx s PRO 13 Ca 0.08 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1rhx s PRO 13 Cb -0.03 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1rhx s PRO 13 CO -0.01 -2.38 0.00 0.28 0.04 0.00 0.00 177.00 174.93 1rhx n VAL 14 N -4.01 0.00 0.00 -0.36 0.31 -1.26 -4.76 118.33 108.26 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 0.17 0.10 5.55 0.28 -1.26 -4.30 120.64 121.19 1rhx n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1rhx n GLU 15 Cb 0.00 -0.11 0.00 0.00 1.43 0.00 0.00 31.44 32.76 1rhx n GLU 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1rhx n LYS 16 N -0.43 0.00 0.28 3.44 3.00 -1.26 -3.99 118.16 119.20 1rhx n LYS 16 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 1rhx n LYS 16 Cb 0.00 -0.19 0.76 0.00 0.00 0.00 0.00 35.03 35.60 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 -1.15 3.14 -0.00 -1.90 0.15 115.31 115.55 1rhx h LEU 17 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1rhx h LEU 17 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1rhx h LEU 17 CO 0.00 0.02 0.07 0.07 -0.00 0.00 0.00 178.44 178.60 1rhx h LYS 18 N 0.00 0.67 -0.56 1.13 -0.00 -1.83 -2.43 116.57 113.55 1rhx h LYS 18 Ca -0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.65 60.50 1rhx h LYS 18 Cb 0.04 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.23 32.14 1rhx h LYS 18 CO 0.00 0.63 0.26 0.82 -0.00 0.00 0.00 179.45 181.17 1rhx h ILE 19 N 0.64 1.19 0.00 0.07 2.04 -0.92 0.23 117.51 120.76 1rhx h ILE 19 Ca 0.14 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1rhx h ILE 19 Cb 0.29 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1rhx h ILE 19 CO 0.00 0.22 0.00 0.54 0.00 0.00 0.00 178.15 178.91 1rhx n ARG 20 N -4.36 0.01 0.00 2.37 3.00 -0.92 -4.58 116.66 112.17 1rhx n ARG 20 Ca 0.05 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 1rhx n ARG 20 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1rhx n ARG 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1rhx n SER 21 N -1.50 0.00 -3.62 0.55 7.64 -0.58 -5.09 113.62 111.02 1rhx n SER 21 Ca 0.04 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.87 1rhx n SER 21 Cb 0.21 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.06 0.03 -0.43 0.00 0.70 -4.67 121.76 115.33 1rhx s ALA 22 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1rhx s ALA 22 Cb 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1rhx s ALA 22 CO 0.00 -0.25 0.01 1.17 0.00 0.00 0.00 175.76 176.69 1rhx n LYS 23 N 0.72 0.75 0.17 0.00 3.00 -1.26 -4.75 118.16 116.79 1rhx n LYS 23 Ca -0.04 -0.27 0.13 0.00 -0.00 0.00 0.00 58.31 58.13 1rhx n LYS 23 Cb 0.58 0.16 0.52 0.00 0.00 0.00 0.00 35.03 36.30 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 1.06 1.00 -0.96 3.14 0.00 -1.98 -3.18 119.26 118.33 1rhx h ALA 24 Ca -0.02 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 1rhx h ALA 24 Cb 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 1rhx h ALA 24 CO 0.04 0.00 0.67 0.39 0.00 0.00 0.00 179.25 180.35 1rhx n GLU 25 N -2.49 2.51 -4.13 0.00 -0.58 -1.26 -4.27 120.64 110.41 1rhx n GLU 25 Ca 0.02 -3.21 -0.28 0.00 -0.42 0.00 0.00 57.16 53.27 1rhx n GLU 25 Cb 0.28 -2.22 -0.07 0.00 -0.57 0.00 0.00 31.44 28.86 1rhx n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rhx s ASP 26 N -1.73 5.12 0.03 1.62 1.11 -1.20 -5.05 116.67 116.57 1rhx s ASP 26 Ca 0.60 -0.22 0.09 0.00 0.18 0.00 0.00 52.55 53.20 1rhx s ASP 26 Cb 0.49 -1.23 -0.03 0.00 1.07 0.00 0.00 42.92 43.22 1rhx s ASP 26 CO 0.04 0.12 -0.25 -0.54 1.18 0.00 0.00 175.17 175.71 1rhx s LYS 27 N -2.74 1.80 0.04 8.23 3.01 -1.26 -1.89 119.74 126.92 1rhx s LYS 27 Ca 0.28 -1.05 -0.18 0.00 -1.01 0.00 0.00 55.97 54.01 1rhx s LYS 27 Cb -0.10 -1.92 0.04 0.00 -1.01 0.00 0.00 37.83 34.83 1rhx s LYS 27 CO 0.20 0.50 0.41 0.42 0.51 0.00 0.00 175.35 177.39 1rhx s ILE 28 N -0.76 0.06 -0.08 2.17 1.01 -0.71 -4.75 121.20 118.14 1rhx s ILE 28 Ca 0.11 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1rhx s ILE 28 Cb -0.10 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.45 1rhx s ILE 28 CO 0.01 -0.25 0.29 -0.69 0.00 0.00 0.00 174.94 174.30 1rhx s VAL 29 N -2.44 0.02 -0.02 2.92 1.01 -1.26 -3.13 120.40 117.51 1rhx s VAL 29 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1rhx s VAL 29 Cb -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1rhx s VAL 29 CO -0.02 -0.09 0.12 -0.76 0.00 0.00 0.00 175.10 174.35 1rhx s LEU 30 N -0.31 4.09 0.39 3.92 1.43 -0.54 -4.54 118.68 123.13 1rhx s LEU 30 Ca -0.04 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1rhx s LEU 30 Cb -0.03 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1rhx s LEU 30 CO 0.01 0.28 0.20 0.27 0.23 0.00 0.00 176.35 177.34 1rhx s ILE 31 N -1.22 0.32 0.00 -0.59 -4.36 -1.20 -0.77 121.20 113.39 1rhx s ILE 31 Ca 0.24 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1rhx s ILE 31 Cb -0.12 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.23 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 -0.84 0.00 0.15 0.37 1.13 -1.26 0.33 117.38 117.25 1rhx n GLN 32 Ca -0.01 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.10 1rhx n GLN 32 Cb 0.64 0.00 0.05 0.00 0.11 0.00 0.00 30.24 31.04 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 -1.16 1.08 2.35 -1.78 -3.26 115.58 112.82 1rhx h ASN 33 Ca 0.00 0.00 0.34 0.00 -0.55 0.00 0.00 56.30 56.09 1rhx h ASN 33 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1rhx h ASN 33 CO 0.00 0.33 1.03 1.23 -1.65 0.00 0.00 177.43 178.37 1rhx h GLY 34 N 3.71 0.00 1.02 2.83 0.00 0.19 -1.64 103.07 109.17 1rhx h GLY 34 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1rhx h GLY 34 CO 0.04 0.00 0.46 -0.39 0.00 0.00 0.00 176.54 176.65 1rhx h VAL 35 N 0.00 0.07 -0.67 4.60 -1.51 -1.37 -1.45 116.25 115.92 1rhx h VAL 35 Ca 0.55 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 66.22 1rhx h VAL 35 Cb 2.60 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 32.30 1rhx h VAL 35 CO -0.01 0.00 0.60 -0.26 -1.23 0.00 0.00 177.57 176.67 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.60 -1.93 116.94 117.59 1rhx h PHE 36 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1rhx h PHE 36 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 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 -0.20 -0.55 4.06 -1.54 -3.10 115.95 114.63 1rhx h TRP 37 Ca 0.32 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.14 1rhx h TRP 37 Cb 1.51 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.61 1rhx h TRP 37 CO 0.00 0.00 0.17 0.00 -3.56 0.00 0.00 178.44 175.05 1rhx n ALA 38 N -1.99 4.32 0.00 1.49 0.00 -0.73 -3.86 120.51 119.75 1rhx n ALA 38 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1rhx n ALA 38 Cb 0.24 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.94 0.00 0.00 0.00 -0.00 -1.17 -1.02 117.00 115.75 1rhx n LEU 39 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 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 0.15 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.92 1rhx n GLU 40 N 0.00 3.61 -3.69 1.47 1.02 -1.25 -5.11 120.64 116.69 1rhx n GLU 40 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1rhx n GLU 40 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1rhx n GLU 40 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1rhx s GLU 41 N 1.28 -0.02 0.00 3.49 0.41 -1.26 -5.12 118.70 117.48 1rhx s GLU 41 Ca 0.00 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 1rhx s GLU 41 Cb 0.00 -0.36 0.00 0.00 -1.78 0.00 0.00 34.13 31.99 1rhx s GLU 41 CO 0.00 -0.28 0.00 -0.11 -0.49 0.00 0.00 175.26 174.38 1rhx n LEU 42 N 5.02 0.00 -4.17 1.80 -0.00 -1.26 -5.03 117.00 113.36 1rhx n LEU 42 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.80 1rhx n LEU 42 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 1rhx n LEU 42 CO 0.09 0.00 -0.39 -1.83 -0.00 0.00 0.00 177.39 175.26 1rhx s GLU 43 N -0.50 0.84 -0.19 1.96 -1.05 -1.26 -5.02 118.70 113.49 1rhx s GLU 43 Ca 0.00 -1.31 -0.11 0.00 -0.15 0.00 0.00 54.97 53.40 1rhx s GLU 43 Cb 0.00 -0.27 0.06 0.00 -0.44 0.00 0.00 34.13 33.48 1rhx s GLU 43 CO 0.00 0.00 0.47 -0.08 0.95 0.00 0.00 175.26 176.60 1rhx s THR 44 N -3.41 -0.02 -1.16 1.83 -1.32 -1.26 -4.14 115.64 106.16 1rhx s THR 44 Ca 0.11 0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.92 1rhx s THR 44 Cb 0.04 -0.69 0.11 0.00 -1.51 0.00 0.00 72.50 70.45 1rhx s THR 44 CO -0.04 0.03 1.54 -0.81 -2.21 0.00 0.00 174.62 173.13 1rhx n PRO 45 N 4.20 0.18 -1.87 7.08 -0.04 -1.26 -4.93 135.00 138.35 1rhx n PRO 45 Ca -0.22 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 62.85 1rhx n PRO 45 Cb 0.56 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.89 2.73 0.37 0.55 0.00 -1.24 -4.45 121.76 116.83 1rhx s ALA 46 Ca 0.15 -0.48 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 1rhx s ALA 46 Cb 0.18 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 20.21 1rhx s ALA 46 CO 0.63 -1.44 1.00 0.15 0.00 0.00 0.00 175.76 176.11 1rhx s LYS 47 N -5.45 4.33 -0.16 0.00 1.02 -0.79 -4.95 119.74 113.73 1rhx s LYS 47 Ca 0.60 1.40 -0.05 0.00 0.02 0.00 0.00 55.97 57.94 1rhx s LYS 47 Cb -0.11 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.69 1rhx s LYS 47 CO 0.51 0.03 0.29 0.08 -0.92 0.00 0.00 175.35 175.33 1rhx s VAL 48 N -1.71 -0.45 0.09 3.17 1.01 -1.25 -1.73 120.40 119.53 1rhx s VAL 48 Ca 0.55 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 1rhx s VAL 48 Cb -0.19 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1rhx s VAL 48 CO 0.24 0.04 0.02 -0.31 0.00 0.00 0.00 175.10 175.09 1rhx s TYR 49 N 2.44 0.65 0.05 5.22 1.51 -1.18 -4.37 117.35 121.66 1rhx s TYR 49 Ca 0.03 -1.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.00 1rhx s TYR 49 Cb -0.13 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 1rhx s TYR 49 CO -0.10 -0.45 -0.08 0.00 -1.11 0.00 0.00 175.55 173.81 1rhx s ALA 50 N -3.97 0.60 -0.35 3.71 0.00 -0.40 -1.47 121.76 119.89 1rhx s ALA 50 Ca 0.14 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 1rhx s ALA 50 Cb 0.08 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1rhx s ALA 50 CO -0.05 -0.04 1.10 0.42 0.00 0.00 0.00 175.76 177.20 1rhx s ILE 51 N -1.57 4.42 0.08 0.00 -1.09 0.05 -0.93 121.20 122.16 1rhx s ILE 51 Ca -0.08 1.60 -0.21 0.00 -2.23 0.00 0.00 60.65 59.72 1rhx s ILE 51 Cb -0.09 -4.44 -0.07 0.00 -1.58 0.00 0.00 42.46 36.28 1rhx s ILE 51 CO -0.00 -0.59 1.36 0.50 -1.23 0.00 0.00 174.94 174.97 1rhx h LYS 52 N 8.41 -0.26 -0.08 2.79 3.64 -1.02 -1.78 116.57 128.26 1rhx h LYS 52 Ca -0.21 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1rhx h LYS 52 Cb 1.06 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1rhx h LYS 52 CO 1.05 -0.18 -0.41 -0.44 -2.27 0.00 0.00 179.45 177.21 1rhx h ASP 53 N -0.27 -1.27 -1.00 4.20 5.19 -1.93 -0.20 116.42 121.14 1rhx h ASP 53 Ca 0.04 0.16 0.05 0.00 -0.62 0.00 0.00 57.03 56.67 1rhx h ASP 53 Cb 0.39 0.51 -0.06 0.00 0.18 0.00 0.00 39.33 40.35 1rhx h ASP 53 CO -0.37 -0.43 0.65 0.44 -3.12 0.00 0.00 179.24 176.40 1rhx h ASP 54 N -0.51 1.06 -0.48 6.45 3.32 -1.91 0.80 116.42 125.14 1rhx h ASP 54 Ca 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1rhx h ASP 54 Cb 0.63 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1rhx h ASP 54 CO -0.36 0.69 0.03 0.15 -1.72 0.00 0.00 179.24 178.03 1rhx h PHE 55 N 1.21 0.90 -0.50 4.55 3.57 -0.59 -0.86 116.94 125.21 1rhx h PHE 55 Ca 0.42 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1rhx h PHE 55 Cb 0.10 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1rhx h PHE 55 CO -0.00 0.84 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.81 1rhx h LEU 56 N 0.69 0.85 -1.77 0.59 3.38 -0.61 -0.71 115.31 117.73 1rhx h LEU 56 Ca 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1rhx h LEU 56 Cb 0.47 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rhx h LEU 56 CO 0.02 0.94 -0.12 0.00 0.09 0.00 0.00 178.44 179.37 1rhx h ALA 57 N 1.14 1.18 -0.94 1.53 0.00 -0.59 -2.85 119.26 118.73 1rhx h ALA 57 Ca 0.14 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.35 1rhx h ALA 57 Cb 0.54 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.03 1rhx h ALA 57 CO 0.03 0.16 0.76 0.54 0.00 0.00 0.00 179.25 180.73 1rhx n ARG 58 N -3.50 2.45 -3.96 0.00 5.12 -0.29 -4.95 116.66 111.52 1rhx n ARG 58 Ca -0.01 -3.01 -0.39 0.00 -1.93 0.00 0.00 57.85 52.50 1rhx n ARG 58 Cb 0.27 -2.18 0.02 0.00 -1.16 0.00 0.00 32.46 29.41 1rhx n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rhx n GLY 59 N -0.89 -0.78 0.97 -0.13 0.00 -1.08 -4.98 105.19 98.31 1rhx n GLY 59 Ca 0.58 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.87 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 -4.69 0.13 -4.50 1.61 4.01 -1.18 -5.06 117.16 107.48 1rhx n TYR 60 Ca -0.14 -0.66 -0.25 0.00 -0.16 0.00 0.00 57.90 56.70 1rhx n TYR 60 Cb 0.59 -0.09 -0.09 0.00 -0.31 0.00 0.00 39.34 39.44 1rhx n TYR 60 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1rhx s SER 61 N -1.75 2.66 0.27 7.72 0.15 -1.26 -4.80 113.70 116.69 1rhx s SER 61 Ca 0.01 -1.62 0.25 0.00 0.70 0.00 0.00 55.95 55.29 1rhx s SER 61 Cb -0.00 0.41 0.92 0.00 -1.71 0.00 0.00 66.02 65.64 1rhx s SER 61 CO 0.01 -0.88 1.75 -0.33 1.20 0.00 0.00 173.24 174.99 1rhx h GLU 62 N 1.86 0.00 -0.02 5.44 5.08 -1.99 -2.30 114.58 122.64 1rhx h GLU 62 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1rhx h GLU 62 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rhx h GLU 62 CO 0.59 0.00 -0.20 0.39 -1.00 0.00 0.00 179.01 178.79 1rhx n GLU 63 N -2.35 1.74 0.12 2.33 1.02 -1.26 -4.52 120.64 117.72 1rhx n GLU 63 Ca 0.03 -1.42 0.10 0.00 -0.02 0.00 0.00 57.16 55.85 1rhx n GLU 63 Cb 0.32 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1rhx h ASP 64 N 3.39 0.00 -3.40 1.62 5.19 -1.83 -3.44 116.42 117.95 1rhx h ASP 64 Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 1rhx h ASP 64 Cb 0.82 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.29 1rhx h ASP 64 CO 0.00 0.10 0.25 -0.44 -3.12 0.00 0.00 179.24 176.03 1rhx s SER 65 N -5.65 7.22 -0.21 6.45 0.01 -1.26 -4.90 113.70 115.37 1rhx s SER 65 Ca 0.01 1.47 -0.00 0.00 1.31 0.00 0.00 55.95 58.74 1rhx s SER 65 Cb 0.08 -2.50 0.16 0.00 0.21 0.00 0.00 66.02 63.97 1rhx s SER 65 CO 0.77 -0.18 1.90 2.29 0.41 0.00 0.00 173.24 178.42 1rhx n LYS 66 N 3.76 1.52 -3.96 12.44 2.85 -0.19 -4.83 118.16 129.75 1rhx n LYS 66 Ca 0.03 -1.05 -0.09 0.00 -1.05 0.00 0.00 58.31 56.15 1rhx n LYS 66 Cb 0.51 -1.41 -0.05 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.48 0.01 -0.14 0.58 -7.23 -1.26 -4.92 120.40 105.96 1rhx s VAL 67 Ca 0.21 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 1rhx s VAL 67 Cb 0.16 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1rhx s VAL 67 CO 0.00 -0.05 1.35 -2.16 -0.31 0.00 0.00 175.10 173.93 1rhx s PRO 68 N -4.00 4.22 -0.28 4.82 0.04 -1.26 -4.88 135.00 133.67 1rhx s PRO 68 Ca 0.20 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1rhx s PRO 68 Cb -0.00 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.74 1rhx s PRO 68 CO 0.06 -0.73 1.07 -0.51 0.04 0.00 0.00 177.00 176.93 1rhx s LEU 69 N 3.59 4.01 0.45 -3.56 1.43 -1.26 -1.27 118.68 122.07 1rhx s LEU 69 Ca 0.59 1.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1rhx s LEU 69 Cb -0.24 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1rhx s LEU 69 CO 0.18 -0.79 0.02 0.27 0.23 0.00 0.00 176.35 176.26 1rhx s ILE 70 N 3.47 1.41 0.43 -0.59 -4.36 -0.11 -4.84 121.20 116.61 1rhx s ILE 70 Ca 0.45 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.92 1rhx s ILE 70 Cb -0.14 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1rhx s ILE 70 CO 0.11 0.00 0.40 0.42 0.24 0.00 0.00 174.94 176.11 1rhx s THR 71 N -2.89 2.56 0.40 8.37 -4.23 -1.26 -0.36 115.64 118.24 1rhx s THR 71 Ca 0.21 -1.34 0.16 0.00 -1.18 0.00 0.00 61.69 59.54 1rhx s THR 71 Cb 0.05 -2.90 0.37 0.00 1.34 0.00 0.00 72.50 71.37 1rhx s THR 71 CO 0.11 0.00 1.84 1.88 -0.54 0.00 0.00 174.62 177.90 1rhx h TYR 72 N 0.97 0.62 -0.05 3.99 0.05 -1.98 -1.51 116.97 119.06 1rhx h TYR 72 Ca -0.41 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.21 1rhx h TYR 72 Cb 1.27 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 1rhx h TYR 72 CO 0.55 0.15 -0.76 0.66 -1.05 0.00 0.00 178.16 177.71 1rhx h SER 73 N 0.46 0.38 0.34 3.88 4.64 -2.00 -2.60 113.55 118.65 1rhx h SER 73 Ca 0.50 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 1rhx h SER 73 Cb 1.16 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1rhx h SER 73 CO -0.21 1.01 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.21 1rhx h GLU 74 N 0.21 0.00 -0.51 4.77 5.08 -1.69 -2.27 114.58 120.17 1rhx h GLU 74 Ca -0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1rhx h GLU 74 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1rhx h GLU 74 CO 0.12 0.21 -0.16 0.35 -1.00 0.00 0.00 179.01 178.53 1rhx h PHE 75 N 0.00 1.15 -0.27 4.33 3.57 -1.08 -3.02 116.94 121.62 1rhx h PHE 75 Ca -0.00 -0.26 -0.05 0.00 3.53 0.00 0.00 57.97 61.19 1rhx h PHE 75 Cb 0.44 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1rhx h PHE 75 CO 0.00 1.09 -0.05 0.82 -2.23 0.00 0.00 178.31 177.94 1rhx h ILE 76 N 0.88 1.19 0.00 1.41 1.08 -1.13 -1.02 117.51 119.93 1rhx h ILE 76 Ca 0.13 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1rhx h ILE 76 Cb 0.74 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 1rhx h ILE 76 CO 0.06 0.26 0.00 -0.78 -0.69 0.00 0.00 178.15 177.00 1rhx h ASP 77 N 0.41 0.00 -0.06 1.72 3.58 -1.37 -0.10 116.42 120.60 1rhx h ASP 77 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1rhx h ASP 77 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1rhx h ASP 77 CO 0.01 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.55 1rhx n LEU 78 N -2.43 2.22 0.00 2.28 4.77 -0.39 -4.53 117.00 118.92 1rhx n LEU 78 Ca -0.00 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1rhx n LEU 78 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1rhx n LEU 78 CO 0.16 0.39 0.00 0.18 -1.33 0.00 0.00 177.39 176.78 1rhx n LEU 79 N 0.73 0.00 0.00 2.23 4.77 -0.45 -4.77 117.00 119.51 1rhx n LEU 79 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1rhx n LEU 79 Cb 0.46 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1rhx n LEU 79 CO 0.16 -0.49 0.00 -0.62 -1.33 0.00 0.00 177.39 175.11 1rhx n GLU 80 N -2.47 0.00 -1.13 3.23 1.02 -0.18 -1.06 120.64 120.06 1rhx n GLU 80 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1rhx n GLU 80 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.57 1rhx n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rhx n GLY 81 N 0.00 5.42 3.04 0.62 0.00 -1.26 -4.96 105.19 108.05 1rhx n GLY 81 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.39 2.16 -0.57 1.61 0.41 -0.22 -5.08 118.70 113.61 1rhx s GLU 82 Ca 0.47 -0.54 0.04 0.00 -0.41 0.00 0.00 54.97 54.54 1rhx s GLU 82 Cb 0.41 -1.87 0.17 0.00 -1.78 0.00 0.00 34.13 31.06 1rhx s GLU 82 CO -0.01 -0.09 0.41 -1.21 -0.49 0.00 0.00 175.26 173.88 1rhx s GLU 83 N 1.07 1.80 -0.21 1.61 2.02 -1.26 -4.74 118.70 118.98 1rhx s GLU 83 Ca -0.05 -2.78 0.08 0.00 0.02 0.00 0.00 54.97 52.24 1rhx s GLU 83 Cb -0.15 -2.60 0.25 0.00 0.10 0.00 0.00 34.13 31.73 1rhx s GLU 83 CO -0.03 -1.31 1.26 0.36 0.02 0.00 0.00 175.26 175.56 1rhx n LYS 84 N 2.43 0.84 0.00 1.61 2.85 -1.26 -5.02 118.16 119.61 1rhx n LYS 84 Ca 0.22 -1.01 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 1rhx n LYS 84 Cb 0.40 0.41 0.00 0.00 -0.65 0.00 0.00 35.03 35.19 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 -0.96 0.00 -3.72 5.58 1.16 -1.26 -4.79 117.46 113.48 1rhx n PHE 85 Ca -0.18 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.18 1rhx n PHE 85 Cb 0.78 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.66 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 0.00 1.97 2.08 -1.16 -4.57 119.36 117.68 1rhx n ILE 86 Ca 0.00 -1.84 0.00 0.00 0.56 0.00 0.00 62.75 61.47 1rhx n ILE 86 Cb 0.00 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72