#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 1.25 -0.42 3.04 0.00 -1.26 -5.12 121.76 119.25 1rhx s ALA 2 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.36 1rhx s ALA 2 Cb 0.00 0.83 0.14 0.00 0.00 0.00 0.00 23.12 24.09 1rhx s ALA 2 CO 0.00 -0.43 0.24 -0.51 0.00 0.00 0.00 175.76 175.06 1rhx s LEU 3 N -3.16 2.17 -0.54 0.00 1.43 -1.26 -4.98 118.68 112.34 1rhx s LEU 3 Ca 0.28 -2.55 0.06 0.00 -1.03 0.00 0.00 54.13 50.90 1rhx s LEU 3 Cb 0.07 -0.83 0.34 0.00 0.03 0.00 0.00 46.19 45.80 1rhx s LEU 3 CO 0.06 -0.27 0.89 0.52 0.23 0.00 0.00 176.35 177.78 1rhx n VAL 4 N 3.62 2.36 -3.64 -1.59 0.31 -1.26 -3.65 118.33 114.48 1rhx n VAL 4 Ca 0.11 -5.35 -0.08 0.00 -0.01 0.00 0.00 64.34 59.01 1rhx n VAL 4 Cb 0.36 -1.23 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.18 -0.37 -0.42 7.52 2.34 -0.75 -4.52 118.68 119.29 1rhx s LEU 5 Ca 0.47 0.71 0.09 0.00 0.06 0.00 0.00 54.13 55.45 1rhx s LEU 5 Cb 0.28 1.72 0.34 0.00 -0.56 0.00 0.00 46.19 47.98 1rhx s LEU 5 CO -0.12 -0.12 1.02 0.55 -1.06 0.00 0.00 176.35 176.62 1rhx n VAL 6 N 2.17 0.01 -2.26 1.48 3.14 -1.26 -4.54 118.33 117.07 1rhx n VAL 6 Ca -0.12 -2.50 -0.07 0.00 -2.96 0.00 0.00 64.34 58.68 1rhx n VAL 6 Cb 0.56 0.88 0.06 0.00 -1.06 0.00 0.00 33.84 34.28 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 0.21 2.14 -2.49 1.45 2.85 -1.26 -2.89 118.16 118.17 1rhx n LYS 7 Ca 0.11 -3.49 0.00 0.00 -1.05 0.00 0.00 58.31 53.88 1rhx n LYS 7 Cb 0.71 -1.62 0.05 0.00 -0.65 0.00 0.00 35.03 33.52 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 -0.57 0.51 0.00 5.58 4.01 -1.26 -4.25 117.16 121.17 1rhx n TYR 8 Ca 0.23 -1.71 0.00 0.00 -0.16 0.00 0.00 57.90 56.26 1rhx n TYR 8 Cb 0.89 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 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 -0.51 0.85 2.67 2.72 0.00 -1.22 -4.49 105.19 105.22 1rhx n GLY 9 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.88 -2.21 2.61 -2.24 -1.26 -3.78 114.28 108.27 1rhx n THR 10 Ca 0.00 -2.31 -0.16 0.00 -2.27 0.00 0.00 64.05 59.32 1rhx n THR 10 Cb 0.00 1.20 0.04 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.72 3.81 -3.33 3.42 2.03 -1.26 -5.03 116.55 115.46 1rhx n ASP 11 Ca 0.01 -3.28 -0.09 0.00 0.52 0.00 0.00 54.79 51.95 1rhx n ASP 11 Cb 0.84 -0.39 -0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.13 0.71 -0.67 -3.43 -1.26 -4.79 115.29 102.43 1rhx s HIS 12 Ca 0.44 -0.68 -0.11 0.00 -0.80 0.00 0.00 55.06 53.91 1rhx s HIS 12 Cb 0.38 0.66 0.02 0.00 -1.43 0.00 0.00 32.58 32.21 1rhx s HIS 12 CO 0.01 -1.38 1.08 -1.25 -2.00 0.00 0.00 174.74 171.19 1rhx s PRO 13 N -3.01 2.79 0.00 -0.38 0.04 -1.26 -4.24 135.00 128.94 1rhx s PRO 13 Ca 0.16 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1rhx s PRO 13 Cb -0.05 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1rhx s PRO 13 CO 0.11 -1.13 0.00 0.28 0.04 0.00 0.00 177.00 176.30 1rhx n VAL 14 N -3.11 0.00 -2.48 -0.36 0.31 -1.26 -4.78 118.33 106.66 1rhx n VAL 14 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 1rhx n VAL 14 Cb 0.56 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.65 0.01 5.55 1.02 -1.26 -3.62 120.64 122.99 1rhx n GLU 15 Ca 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 1rhx n GLU 15 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.27 0.00 0.30 3.49 3.00 -1.26 -4.58 118.16 118.84 1rhx n LYS 16 Ca -0.07 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.40 1rhx n LYS 16 Cb 0.90 0.00 0.95 0.00 0.00 0.00 0.00 35.03 36.88 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 -1.20 3.14 3.38 -1.92 0.26 115.31 118.97 1rhx h LEU 17 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1rhx h LEU 17 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1rhx h LEU 17 CO 0.00 0.02 -0.01 0.07 0.09 0.00 0.00 178.44 178.61 1rhx h LYS 18 N 0.00 0.54 0.00 1.13 -0.00 -1.83 -2.69 116.57 113.72 1rhx h LYS 18 Ca -0.00 -0.12 -0.11 0.00 -0.00 0.00 0.00 60.65 60.42 1rhx h LYS 18 Cb 0.08 -0.08 -0.02 0.00 -0.00 0.00 0.00 32.23 32.22 1rhx h LYS 18 CO 0.00 0.57 -0.53 0.97 -0.00 0.00 0.00 179.45 180.46 1rhx h ILE 19 N 0.51 1.19 0.00 0.07 2.10 -0.81 0.49 117.51 121.06 1rhx h ILE 19 Ca 0.11 -1.94 -0.02 0.00 1.08 0.00 0.00 64.86 64.09 1rhx h ILE 19 Cb 0.35 2.11 -0.00 0.00 -1.09 0.00 0.00 36.82 38.18 1rhx h ILE 19 CO 0.01 0.52 -0.09 0.03 -1.08 0.00 0.00 178.15 177.54 1rhx h ARG 20 N 0.00 0.00 -0.20 2.19 -0.00 -1.42 -3.43 114.38 111.51 1rhx h ARG 20 Ca -0.01 0.00 0.27 0.00 -0.50 0.00 0.00 59.98 59.74 1rhx h ARG 20 Cb 1.06 0.00 -0.22 0.00 0.00 0.00 0.00 29.97 30.81 1rhx h ARG 20 CO 0.07 0.09 0.27 -1.12 0.00 0.00 0.00 179.97 179.28 1rhx s SER 21 N -6.14 -0.23 0.00 7.04 0.01 -0.91 -5.13 113.70 108.35 1rhx s SER 21 Ca 0.05 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1rhx s SER 21 Cb 0.07 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.50 1rhx s SER 21 CO 0.65 -0.04 0.00 0.00 0.41 0.00 0.00 173.24 174.26 1rhx n ALA 22 N 5.32 0.00 -3.00 1.44 0.00 0.11 -4.33 120.51 120.06 1rhx n ALA 22 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1rhx n ALA 22 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.28 0.00 0.10 0.00 3.00 -1.26 -4.87 118.16 114.85 1rhx n LYS 23 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1rhx n LYS 23 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 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 1.48 1.00 -0.56 3.14 0.00 -1.99 -3.10 119.26 119.23 1rhx h ALA 24 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 54.91 54.04 1rhx h ALA 24 Cb 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 17.54 1rhx h ALA 24 CO 0.00 0.67 0.50 -0.85 0.00 0.00 0.00 179.25 179.56 1rhx n GLU 25 N -3.93 1.96 -3.91 0.00 0.28 -1.26 -3.78 120.64 109.99 1rhx n GLU 25 Ca -0.02 -1.86 -0.23 0.00 -0.16 0.00 0.00 57.16 54.89 1rhx n GLU 25 Cb 0.55 -1.73 -0.05 0.00 1.43 0.00 0.00 31.44 31.64 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 -0.16 4.66 -0.05 -1.84 -1.08 -1.17 -5.06 116.67 111.96 1rhx s ASP 26 Ca 0.37 -0.97 -0.02 0.00 -0.52 0.00 0.00 52.55 51.40 1rhx s ASP 26 Cb 0.29 -0.45 0.04 0.00 -1.46 0.00 0.00 42.92 41.34 1rhx s ASP 26 CO -0.01 -0.62 0.10 -0.54 0.52 0.00 0.00 175.17 174.62 1rhx s LYS 27 N -4.01 -0.01 0.14 4.34 1.02 -1.26 -2.86 119.74 117.10 1rhx s LYS 27 Ca 0.43 0.41 -0.13 0.00 0.02 0.00 0.00 55.97 56.70 1rhx s LYS 27 Cb 0.01 -0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 1rhx s LYS 27 CO 0.24 -0.27 0.35 0.42 -0.92 0.00 0.00 175.35 175.17 1rhx s ILE 28 N 1.87 0.08 0.02 2.17 1.01 -0.84 -4.78 121.20 120.73 1rhx s ILE 28 Ca -0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1rhx s ILE 28 Cb -0.12 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.93 1rhx s ILE 28 CO -0.04 -0.35 0.37 -0.69 0.00 0.00 0.00 174.94 174.22 1rhx s VAL 29 N -3.87 0.06 0.10 2.92 1.01 -1.26 -3.87 120.40 115.49 1rhx s VAL 29 Ca 0.08 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1rhx s VAL 29 Cb 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1rhx s VAL 29 CO -0.07 -0.27 -0.09 -0.76 0.00 0.00 0.00 175.10 173.90 1rhx s LEU 30 N -1.75 3.07 0.00 3.92 1.43 -0.29 -4.90 118.68 120.16 1rhx s LEU 30 Ca -0.08 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1rhx s LEU 30 Cb -0.02 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1rhx s LEU 30 CO 0.00 0.19 0.16 2.30 0.23 0.00 0.00 176.35 179.23 1rhx n ILE 31 N 0.76 0.00 0.00 -0.59 -5.35 -1.14 -1.61 119.36 111.43 1rhx n ILE 31 Ca -0.13 -1.64 0.00 0.00 -0.27 0.00 0.00 62.75 60.70 1rhx n ILE 31 Cb 0.52 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 -0.50 0.00 -0.02 6.28 1.13 -1.26 0.24 117.38 123.24 1rhx n GLN 32 Ca 0.02 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.07 1rhx n GLN 32 Cb 0.41 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.71 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 0.64 3.53 -0.24 1.08 3.02 -1.26 -4.53 115.26 117.50 1rhx n ASN 33 Ca 0.00 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.84 1rhx n ASN 33 Cb 0.00 0.88 0.47 0.00 -0.61 0.00 0.00 39.78 40.52 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 1.18 0.00 -0.22 7.41 0.00 -0.18 0.01 103.07 111.26 1rhx h GLY 34 Ca -0.10 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.47 1rhx h GLY 34 CO 0.01 0.00 0.87 -0.39 0.00 0.00 0.00 176.54 177.03 1rhx h VAL 35 N 0.00 0.19 -1.05 4.60 -1.51 -1.52 0.63 116.25 117.60 1rhx h VAL 35 Ca 0.51 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 66.28 1rhx h VAL 35 Cb 2.92 0.31 -0.04 0.00 -2.13 0.00 0.00 31.29 32.35 1rhx h VAL 35 CO -0.01 0.00 0.76 -0.26 -1.23 0.00 0.00 177.57 176.84 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.19 -1.01 116.94 118.92 1rhx h PHE 36 Ca 0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.18 1rhx h PHE 36 Cb 2.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.70 1rhx h PHE 36 CO 0.00 0.00 0.00 0.91 -1.61 0.00 0.00 178.31 177.61 1rhx n TRP 37 N -4.19 0.65 -0.39 -0.55 7.02 0.21 -2.38 117.44 117.82 1rhx n TRP 37 Ca 0.22 0.29 -0.09 0.00 -1.02 0.00 0.00 57.50 56.90 1rhx n TRP 37 Cb 1.12 -0.97 0.03 0.00 -2.42 0.00 0.00 31.31 29.07 1rhx n TRP 37 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rhx n ALA 38 N -1.73 4.27 0.00 6.99 0.00 -0.39 -4.10 120.51 125.55 1rhx n ALA 38 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1rhx n ALA 38 Cb 0.13 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.55 0.00 -4.50 0.00 -0.00 -1.00 -0.69 117.00 111.35 1rhx n LEU 39 Ca 0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.94 1rhx n LEU 39 Cb 0.64 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.98 1rhx n LEU 39 CO 0.22 0.00 -0.20 -1.61 -0.00 0.00 0.00 177.39 175.79 1rhx s GLU 40 N 0.00 1.89 -0.43 1.47 0.41 -1.25 -5.00 118.70 115.79 1rhx s GLU 40 Ca 0.00 -2.14 -0.02 0.00 -0.41 0.00 0.00 54.97 52.40 1rhx s GLU 40 Cb 0.00 -0.62 0.11 0.00 -1.78 0.00 0.00 34.13 31.84 1rhx s GLU 40 CO 0.00 -0.45 0.21 -1.21 -0.49 0.00 0.00 175.26 173.32 1rhx s GLU 41 N -3.73 2.00 0.00 1.61 2.02 -1.26 -5.01 118.70 114.32 1rhx s GLU 41 Ca 0.25 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.32 1rhx s GLU 41 Cb 0.03 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1rhx s GLU 41 CO 0.15 -1.07 0.00 -0.11 0.02 0.00 0.00 175.26 174.25 1rhx n LEU 42 N 4.41 0.00 -3.87 1.80 -0.00 -1.26 -5.00 117.00 113.07 1rhx n LEU 42 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1rhx n LEU 42 Cb 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.75 1rhx n LEU 42 CO 0.32 0.00 -0.11 -1.83 -0.00 0.00 0.00 177.39 175.76 1rhx s GLU 43 N 4.98 0.81 -0.05 1.96 -1.05 -1.26 -5.08 118.70 119.00 1rhx s GLU 43 Ca 0.00 -0.93 -0.01 0.00 -0.15 0.00 0.00 54.97 53.88 1rhx s GLU 43 Cb 0.00 0.33 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 1rhx s GLU 43 CO 0.00 -0.25 0.01 -0.08 0.95 0.00 0.00 175.26 175.90 1rhx s THR 44 N -3.69 0.22 -0.86 1.83 -1.32 -1.24 -4.28 115.64 106.29 1rhx s THR 44 Ca 0.04 0.17 0.27 0.00 -1.21 0.00 0.00 61.69 60.96 1rhx s THR 44 Cb 0.04 -0.37 0.25 0.00 -1.51 0.00 0.00 72.50 70.91 1rhx s THR 44 CO -0.10 0.21 1.83 -0.81 -2.21 0.00 0.00 174.62 173.54 1rhx n PRO 45 N 4.85 0.13 -1.81 7.08 -0.04 -1.26 -4.90 135.00 139.06 1rhx n PRO 45 Ca -0.12 0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 1rhx n PRO 45 Cb 0.50 -1.65 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 -3.05 2.85 0.07 0.55 0.00 -1.24 -4.62 121.76 116.32 1rhx s ALA 46 Ca 0.12 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1rhx s ALA 46 Cb 0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 1rhx s ALA 46 CO 0.57 -1.10 1.02 -1.59 0.00 0.00 0.00 175.76 174.66 1rhx s LYS 47 N -5.26 4.59 -0.06 0.00 -2.85 -1.13 -4.96 119.74 110.07 1rhx s LYS 47 Ca 0.58 1.52 0.01 0.00 -1.00 0.00 0.00 55.97 57.08 1rhx s LYS 47 Cb -0.12 -3.39 0.02 0.00 -2.06 0.00 0.00 37.83 32.28 1rhx s LYS 47 CO 0.53 0.02 -0.07 0.08 0.10 0.00 0.00 175.35 176.01 1rhx s VAL 48 N 0.52 0.77 0.04 1.79 1.01 -1.26 -1.98 120.40 121.29 1rhx s VAL 48 Ca 0.51 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1rhx s VAL 48 Cb -0.24 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1rhx s VAL 48 CO 0.30 0.28 0.06 -0.31 0.00 0.00 0.00 175.10 175.43 1rhx s TYR 49 N 0.98 0.25 0.09 5.22 1.51 -1.25 -4.33 117.35 119.81 1rhx s TYR 49 Ca -0.10 -0.57 0.06 0.00 -1.01 0.00 0.00 57.07 55.44 1rhx s TYR 49 Cb -0.15 -0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1rhx s TYR 49 CO 0.00 -0.34 -0.15 0.00 -1.11 0.00 0.00 175.55 173.96 1rhx s ALA 50 N -2.59 1.31 -0.43 3.71 0.00 -0.56 -1.14 121.76 122.06 1rhx s ALA 50 Ca -0.05 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.54 1rhx s ALA 50 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1rhx s ALA 50 CO -0.05 0.16 1.03 0.42 0.00 0.00 0.00 175.76 177.32 1rhx s ILE 51 N -1.51 4.40 0.13 0.00 -1.09 -0.63 -0.75 121.20 121.74 1rhx s ILE 51 Ca 0.02 1.15 -0.21 0.00 -2.23 0.00 0.00 60.65 59.37 1rhx s ILE 51 Cb -0.09 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 1rhx s ILE 51 CO 0.03 -0.80 1.69 0.50 -1.23 0.00 0.00 174.94 175.13 1rhx h LYS 52 N 8.89 -0.10 -0.05 2.79 3.64 -1.12 -0.12 116.57 130.48 1rhx h LYS 52 Ca -0.23 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1rhx h LYS 52 Cb 1.07 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1rhx h LYS 52 CO 1.06 -0.07 0.02 -0.44 -2.27 0.00 0.00 179.45 177.75 1rhx h ASP 53 N -0.11 0.04 0.50 4.20 3.32 -1.91 -0.46 116.42 122.00 1rhx h ASP 53 Ca 0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1rhx h ASP 53 Cb 0.23 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1rhx h ASP 53 CO -0.20 0.03 -0.47 -2.24 -1.72 0.00 0.00 179.24 174.64 1rhx h ASP 54 N 0.06 0.00 -0.21 6.45 3.04 -1.89 0.12 116.42 123.99 1rhx h ASP 54 Ca 0.02 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.81 1rhx h ASP 54 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1rhx h ASP 54 CO -0.02 0.47 0.12 0.15 -2.04 0.00 0.00 179.24 177.93 1rhx h PHE 55 N 0.00 0.27 -0.35 4.15 3.57 -0.66 -0.46 116.94 123.46 1rhx h PHE 55 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1rhx h PHE 55 Cb 0.85 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1rhx h PHE 55 CO 0.00 0.21 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.13 1rhx h LEU 56 N 0.25 0.57 -1.54 0.59 3.38 -0.84 0.25 115.31 117.97 1rhx h LEU 56 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rhx h LEU 56 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1rhx h LEU 56 CO -0.01 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1rhx h ALA 57 N 1.36 1.00 -0.95 1.53 0.00 -0.30 -3.14 119.26 118.76 1rhx h ALA 57 Ca 0.10 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.40 1rhx h ALA 57 Cb 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.97 1rhx h ALA 57 CO 0.03 0.00 0.63 -2.13 0.00 0.00 0.00 179.25 177.78 1rhx n ARG 58 N -2.87 2.65 -4.11 0.00 0.00 0.07 -4.92 116.66 107.47 1rhx n ARG 58 Ca 0.00 -3.31 -0.29 0.00 -0.00 0.00 0.00 57.85 54.25 1rhx n ARG 58 Cb 0.24 -2.25 -0.05 0.00 0.00 0.00 0.00 32.46 30.41 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 -0.95 -0.23 3.75 5.14 0.00 -1.18 -4.99 105.19 106.72 1rhx n GLY 59 Ca 0.59 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.98 2.12 0.28 1.61 2.02 -1.16 -5.06 117.35 113.18 1rhx s TYR 60 Ca 0.12 -0.81 0.12 0.00 -0.37 0.00 0.00 57.07 56.14 1rhx s TYR 60 Cb -0.07 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1rhx s TYR 60 CO 0.93 0.17 -0.20 0.45 -1.57 0.00 0.00 175.55 175.33 1rhx s SER 61 N -3.90 3.60 0.31 2.29 0.15 -1.26 -4.57 113.70 110.32 1rhx s SER 61 Ca 0.23 -1.03 0.02 0.00 0.70 0.00 0.00 55.95 55.87 1rhx s SER 61 Cb 0.03 -0.31 0.52 0.00 -1.71 0.00 0.00 66.02 64.56 1rhx s SER 61 CO 0.13 0.04 1.87 -0.33 1.20 0.00 0.00 173.24 176.14 1rhx h GLU 62 N 2.26 0.69 0.00 5.44 5.08 -1.97 -0.98 114.58 125.10 1rhx h GLU 62 Ca -0.40 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1rhx h GLU 62 Cb 1.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1rhx h GLU 62 CO 0.60 0.63 0.00 0.39 -1.00 0.00 0.00 179.01 179.64 1rhx n GLU 63 N -4.30 0.12 0.10 2.33 4.71 -1.26 -3.16 120.64 119.18 1rhx n GLU 63 Ca 0.03 0.40 -0.01 0.00 -0.01 0.00 0.00 57.16 57.56 1rhx n GLU 63 Cb 0.21 -1.75 -0.04 0.00 -1.01 0.00 0.00 31.44 28.86 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1rhx h ASP 64 N 0.00 0.00 -4.04 1.62 3.32 -1.58 -3.45 116.42 112.28 1rhx h ASP 64 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1rhx h ASP 64 Cb 0.28 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.86 1rhx h ASP 64 CO 0.00 0.70 0.29 -0.55 -1.72 0.00 0.00 179.24 177.96 1rhx s SER 65 N -6.51 6.41 -0.37 6.45 0.15 -1.19 -4.90 113.70 113.74 1rhx s SER 65 Ca 0.02 1.32 0.06 0.00 0.70 0.00 0.00 55.95 58.06 1rhx s SER 65 Cb 0.08 -2.41 0.49 0.00 -1.71 0.00 0.00 66.02 62.47 1rhx s SER 65 CO 0.78 -0.64 1.52 2.29 1.20 0.00 0.00 173.24 178.39 1rhx n LYS 66 N -2.03 2.50 -3.80 5.44 2.85 0.14 -5.01 118.16 118.24 1rhx n LYS 66 Ca 0.05 -3.47 -0.09 0.00 -1.05 0.00 0.00 58.31 53.74 1rhx n LYS 66 Cb 0.54 -2.05 -0.06 0.00 -0.65 0.00 0.00 35.03 32.81 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 -3.92 0.11 -0.17 0.58 -7.23 -1.26 -4.99 120.40 103.51 1rhx s VAL 67 Ca 0.51 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 1rhx s VAL 67 Cb 0.43 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1rhx s VAL 67 CO 0.01 -0.49 1.74 -2.16 -0.31 0.00 0.00 175.10 173.88 1rhx s PRO 68 N -3.86 3.81 -0.45 4.82 0.04 -1.26 -4.84 135.00 133.26 1rhx s PRO 68 Ca 0.06 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 62.74 1rhx s PRO 68 Cb 0.04 -4.09 0.03 0.00 0.04 0.00 0.00 34.50 30.52 1rhx s PRO 68 CO -0.10 -1.29 0.88 -0.51 0.04 0.00 0.00 177.00 176.02 1rhx s LEU 69 N 5.34 4.07 0.42 -3.56 1.43 -1.26 -1.49 118.68 123.63 1rhx s LEU 69 Ca 0.77 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.05 1rhx s LEU 69 Cb -0.29 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 1rhx s LEU 69 CO 0.31 -0.99 0.15 0.27 0.23 0.00 0.00 176.35 176.33 1rhx s ILE 70 N 3.59 2.17 0.78 -0.59 -4.36 0.07 -4.73 121.20 118.14 1rhx s ILE 70 Ca 0.35 -1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 58.88 1rhx s ILE 70 Cb -0.11 -2.93 0.08 0.00 1.25 0.00 0.00 42.46 40.75 1rhx s ILE 70 CO 0.24 0.00 1.13 0.42 0.24 0.00 0.00 174.94 176.97 1rhx s THR 71 N -2.64 2.09 0.21 8.37 -4.23 -1.26 -0.57 115.64 117.62 1rhx s THR 71 Ca 0.38 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 1rhx s THR 71 Cb 0.05 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1rhx s THR 71 CO 0.21 0.00 1.78 1.88 -0.54 0.00 0.00 174.62 177.95 1rhx h TYR 72 N -0.93 0.56 -0.56 3.99 0.05 -1.97 -2.35 116.97 115.77 1rhx h TYR 72 Ca -0.45 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.27 1rhx h TYR 72 Cb 1.32 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 1rhx h TYR 72 CO 0.24 0.22 -0.00 0.66 -1.05 0.00 0.00 178.16 178.22 1rhx h SER 73 N 0.56 0.93 -0.29 3.88 4.64 -2.00 -1.81 113.55 119.46 1rhx h SER 73 Ca 0.31 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1rhx h SER 73 Cb 0.30 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1rhx h SER 73 CO -0.24 0.99 0.17 -0.33 -0.87 0.00 0.00 176.83 176.55 1rhx h GLU 74 N 0.88 0.43 -0.24 4.77 5.08 -1.88 -1.62 114.58 122.00 1rhx h GLU 74 Ca 0.16 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1rhx h GLU 74 Cb 0.52 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1rhx h GLU 74 CO 0.03 0.32 0.01 0.35 -1.00 0.00 0.00 179.01 178.71 1rhx h PHE 75 N 0.43 0.45 -0.82 4.33 3.57 -0.82 -3.12 116.94 120.97 1rhx h PHE 75 Ca 0.11 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1rhx h PHE 75 Cb 0.01 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1rhx h PHE 75 CO 0.00 0.58 0.49 0.82 -2.23 0.00 0.00 178.31 177.97 1rhx h ILE 76 N 0.20 1.01 -0.56 1.41 1.08 -0.54 -0.82 117.51 119.29 1rhx h ILE 76 Ca 0.07 -0.31 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 1rhx h ILE 76 Cb 0.39 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 1rhx h ILE 76 CO 0.01 0.16 0.37 -0.78 -0.69 0.00 0.00 178.15 177.23 1rhx h ASP 77 N 0.89 0.38 0.15 1.72 3.58 -1.35 0.02 116.42 121.81 1rhx h ASP 77 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1rhx h ASP 77 Cb 0.20 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1rhx h ASP 77 CO -0.18 0.24 -0.02 0.18 -2.88 0.00 0.00 179.24 176.57 1rhx n LEU 78 N -4.47 0.32 0.00 2.28 4.77 -0.33 -4.05 117.00 115.52 1rhx n LEU 78 Ca 0.08 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1rhx n LEU 78 Cb 0.31 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1rhx n LEU 78 CO 0.34 0.05 0.00 0.18 -1.33 0.00 0.00 177.39 176.64 1rhx n LEU 79 N -0.85 0.08 -2.78 2.23 4.77 -0.03 -4.93 117.00 115.49 1rhx n LEU 79 Ca 0.20 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1rhx n LEU 79 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1rhx n LEU 79 CO 0.20 0.00 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.53 1rhx n GLU 80 N -0.06 -0.66 0.00 3.23 -0.58 -1.09 -2.93 120.64 118.55 1rhx n GLU 80 Ca 0.00 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1rhx n GLU 80 Cb 0.00 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 -0.74 1.11 2.92 0.62 0.00 -1.26 -5.10 105.19 102.73 1rhx n GLY 81 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.62 0.93 -0.42 1.61 0.41 -1.15 -5.07 118.70 114.40 1rhx s GLU 82 Ca 0.00 -0.17 0.10 0.00 -0.41 0.00 0.00 54.97 54.49 1rhx s GLU 82 Cb 0.00 -0.89 0.33 0.00 -1.78 0.00 0.00 34.13 31.79 1rhx s GLU 82 CO 0.00 -0.04 0.75 0.39 -0.49 0.00 0.00 175.26 175.87 1rhx n GLU 83 N 3.88 1.39 -2.36 1.61 1.02 -1.26 -4.75 120.64 120.17 1rhx n GLU 83 Ca -0.24 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.24 1rhx n GLU 83 Cb 0.52 -1.76 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.33 1.31 -2.26 3.49 5.02 -1.26 -4.91 118.16 119.87 1rhx n LYS 84 Ca 0.26 -3.09 -0.02 0.00 -2.02 0.00 0.00 58.31 53.43 1rhx n LYS 84 Cb 0.59 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.29 -0.17 -3.01 2.13 -1.74 -1.25 -4.75 117.46 108.37 1rhx n PHE 85 Ca 0.09 -0.43 -0.07 0.00 -0.56 0.00 0.00 57.45 56.48 1rhx n PHE 85 Cb 0.91 0.95 0.03 0.00 1.52 0.00 0.00 39.48 42.88 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 -0.36 0.00 0.00 1.97 2.08 -1.24 -4.38 119.36 117.43 1rhx n ILE 86 Ca -0.20 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.38 1rhx n ILE 86 Cb 0.59 -0.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72