#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 -0.39 -0.23 3.04 0.00 -1.26 -5.15 121.76 117.78 1rhx s ALA 2 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1rhx s ALA 2 Cb 0.00 0.90 0.07 0.00 0.00 0.00 0.00 23.12 24.09 1rhx s ALA 2 CO 0.00 -0.74 0.03 -0.51 0.00 0.00 0.00 175.76 174.53 1rhx s LEU 3 N -2.94 1.76 -0.38 0.00 1.43 -1.26 -5.01 118.68 112.27 1rhx s LEU 3 Ca 0.15 -1.09 0.12 0.00 -1.03 0.00 0.00 54.13 52.29 1rhx s LEU 3 Cb 0.01 -0.80 0.38 0.00 0.03 0.00 0.00 46.19 45.81 1rhx s LEU 3 CO 0.01 -0.31 0.82 0.52 0.23 0.00 0.00 176.35 177.61 1rhx n VAL 4 N 4.91 0.51 -3.15 -1.59 0.31 -1.26 -3.34 118.33 114.72 1rhx n VAL 4 Ca -0.08 -4.35 0.06 0.00 -0.01 0.00 0.00 64.34 59.96 1rhx n VAL 4 Cb 0.45 -0.19 -0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 -2.73 -0.32 -0.38 7.52 2.34 0.01 -4.27 118.68 120.85 1rhx s LEU 5 Ca 0.38 0.05 0.06 0.00 0.06 0.00 0.00 54.13 54.68 1rhx s LEU 5 Cb 0.37 1.21 0.44 0.00 -0.56 0.00 0.00 46.19 47.65 1rhx s LEU 5 CO -0.06 -0.06 1.17 0.55 -1.06 0.00 0.00 176.35 176.89 1rhx n VAL 6 N 5.11 2.48 -1.88 1.48 3.14 -1.23 -4.66 118.33 122.77 1rhx n VAL 6 Ca 0.09 -4.56 -0.12 0.00 -2.96 0.00 0.00 64.34 56.79 1rhx n VAL 6 Cb 0.58 -1.21 0.09 0.00 -1.06 0.00 0.00 33.84 32.24 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 -0.60 2.79 -2.52 1.45 2.85 -1.26 -2.77 118.16 118.10 1rhx n LYS 7 Ca 0.42 -3.81 -0.00 0.00 -1.05 0.00 0.00 58.31 53.86 1rhx n LYS 7 Cb 0.80 -2.00 0.06 0.00 -0.65 0.00 0.00 35.03 33.24 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 -0.85 0.16 0.00 5.58 4.19 -1.26 -4.08 117.16 120.90 1rhx n TYR 8 Ca 0.34 -1.73 0.00 0.00 3.31 0.00 0.00 57.90 59.82 1rhx n TYR 8 Cb 0.86 0.29 0.00 0.00 0.49 0.00 0.00 39.34 40.98 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 -0.67 0.95 2.62 2.98 0.00 -1.19 -4.46 105.19 105.42 1rhx n GLY 9 Ca -0.02 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 4.36 -2.69 2.61 -2.24 -1.26 -4.09 114.28 110.97 1rhx n THR 10 Ca 0.00 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 58.11 1rhx n THR 10 Cb 0.00 -2.40 0.05 0.00 -2.10 0.00 0.00 70.33 65.88 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 3.78 0.88 -3.60 3.42 2.03 -1.26 -5.09 116.55 116.70 1rhx n ASP 11 Ca 0.57 -2.04 0.02 0.00 0.52 0.00 0.00 54.79 53.86 1rhx n ASP 11 Cb 0.31 -0.23 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -2.17 -0.03 0.81 -0.67 -3.43 -1.26 -4.65 115.29 103.90 1rhx s HIS 12 Ca 0.25 -0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.35 1rhx s HIS 12 Cb 0.34 0.53 0.08 0.00 -1.43 0.00 0.00 32.58 32.10 1rhx s HIS 12 CO -0.08 -0.19 1.09 -1.25 -2.00 0.00 0.00 174.74 172.31 1rhx s PRO 13 N -2.28 1.97 0.00 -0.38 0.04 -1.26 -4.28 135.00 128.81 1rhx s PRO 13 Ca 0.15 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1rhx s PRO 13 Cb 0.06 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1rhx s PRO 13 CO -0.05 -1.73 0.00 0.28 0.04 0.00 0.00 177.00 175.54 1rhx n VAL 14 N -3.53 0.00 -2.56 -0.36 0.31 -1.26 -4.76 118.33 106.17 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 0.55 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.93 0.00 5.55 1.02 -1.26 -3.49 120.64 123.39 1rhx n GLU 15 Ca 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 1rhx n GLU 15 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 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 -0.51 0.00 0.13 3.49 3.00 -1.26 -4.70 118.16 118.32 1rhx n LYS 16 Ca -0.06 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.40 1rhx n LYS 16 Cb 0.88 0.00 0.71 0.00 0.00 0.00 0.00 35.03 36.62 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 -2.33 3.14 -0.00 -1.91 0.20 115.31 114.41 1rhx h LEU 17 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1rhx h LEU 17 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1rhx h LEU 17 CO 0.00 0.00 -0.04 0.07 -0.00 0.00 0.00 178.44 178.47 1rhx h LYS 18 N 0.00 0.00 0.00 1.13 -0.00 -1.84 -0.54 116.57 115.32 1rhx h LYS 18 Ca 0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.64 1rhx h LYS 18 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.77 1rhx h LYS 18 CO -0.00 0.04 -1.14 0.97 -0.00 0.00 0.00 179.45 179.31 1rhx h ILE 19 N 0.00 0.55 0.08 0.07 2.10 -0.90 -0.72 117.51 118.70 1rhx h ILE 19 Ca -0.00 -1.97 -0.27 0.00 1.08 0.00 0.00 64.86 63.69 1rhx h ILE 19 Cb 0.18 2.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.99 1rhx h ILE 19 CO 0.00 0.31 -1.36 0.03 -1.08 0.00 0.00 178.15 176.06 1rhx h ARG 20 N 0.00 0.16 -1.07 2.19 -0.00 -1.31 -3.44 114.38 110.92 1rhx h ARG 20 Ca -0.11 -0.28 0.11 0.00 -0.50 0.00 0.00 59.98 59.20 1rhx h ARG 20 Cb 1.49 0.10 -0.21 0.00 0.00 0.00 0.00 29.97 31.35 1rhx h ARG 20 CO 0.05 1.04 -0.20 0.45 0.00 0.00 0.00 179.97 181.30 1rhx s SER 21 N -6.84 -1.25 0.00 7.04 0.15 -0.30 -5.13 113.70 107.37 1rhx s SER 21 Ca -0.05 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1rhx s SER 21 Cb 0.08 2.10 0.00 0.00 -1.71 0.00 0.00 66.02 66.49 1rhx s SER 21 CO 0.85 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 175.05 1rhx n ALA 22 N 5.43 0.00 -3.09 5.45 0.00 -0.28 -4.02 120.51 124.00 1rhx n ALA 22 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1rhx n ALA 22 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.14 0.06 -0.00 0.00 3.00 -1.26 -4.77 118.16 115.05 1rhx n LYS 23 Ca 0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1rhx n LYS 23 Cb 0.00 0.23 0.30 0.00 0.00 0.00 0.00 35.03 35.56 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 1.47 1.37 -1.20 3.14 0.00 -1.98 -2.44 119.26 119.62 1rhx h ALA 24 Ca -0.02 -0.20 -0.77 0.00 0.00 0.00 0.00 54.91 53.92 1rhx h ALA 24 Cb 0.10 -0.15 -0.20 0.00 0.00 0.00 0.00 17.79 17.55 1rhx h ALA 24 CO 0.03 0.44 1.64 -1.91 0.00 0.00 0.00 179.25 179.45 1rhx n GLU 25 N -4.28 4.11 -4.48 0.00 0.00 -1.26 -3.95 120.64 110.77 1rhx n GLU 25 Ca 0.02 -3.90 -0.23 0.00 0.00 0.00 0.00 57.16 53.05 1rhx n GLU 25 Cb 0.24 -2.74 -0.11 0.00 0.00 0.00 0.00 31.44 28.84 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 -0.16 2.88 -0.07 4.31 2.15 -0.92 -5.08 116.67 119.79 1rhx s ASP 26 Ca 0.39 -1.29 -0.00 0.00 0.43 0.00 0.00 52.55 52.07 1rhx s ASP 26 Cb 0.10 -0.19 0.02 0.00 -0.30 0.00 0.00 42.92 42.55 1rhx s ASP 26 CO 0.02 -0.45 -0.03 -0.54 -0.17 0.00 0.00 175.17 174.00 1rhx s LYS 27 N -3.78 0.86 0.06 4.34 3.01 -1.26 -3.09 119.74 119.88 1rhx s LYS 27 Ca 0.33 -0.04 -0.13 0.00 -1.01 0.00 0.00 55.97 55.12 1rhx s LYS 27 Cb 0.07 -1.02 0.02 0.00 -1.01 0.00 0.00 37.83 35.88 1rhx s LYS 27 CO 0.15 -0.20 0.29 0.42 0.51 0.00 0.00 175.35 176.52 1rhx s ILE 28 N 1.49 0.09 0.02 2.17 1.01 -1.05 -4.75 121.20 120.19 1rhx s ILE 28 Ca -0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1rhx s ILE 28 Cb -0.13 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1rhx s ILE 28 CO -0.03 -0.41 0.11 -0.69 0.00 0.00 0.00 174.94 173.92 1rhx s VAL 29 N -2.83 0.11 -0.07 2.92 1.01 -1.26 -3.18 120.40 117.10 1rhx s VAL 29 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1rhx s VAL 29 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1rhx s VAL 29 CO -0.05 -0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 173.64 1rhx s LEU 30 N -1.80 2.68 0.00 3.92 1.43 -0.31 -4.93 118.68 119.67 1rhx s LEU 30 Ca -0.09 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1rhx s LEU 30 Cb -0.04 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1rhx s LEU 30 CO -0.02 0.29 0.09 2.30 0.23 0.00 0.00 176.35 179.25 1rhx n ILE 31 N 2.66 0.00 0.00 -0.59 -5.35 -1.17 -0.79 119.36 114.12 1rhx n ILE 31 Ca -0.17 -1.71 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 1rhx n ILE 31 Cb 0.52 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.69 0.00 0.03 6.28 1.13 -1.26 0.32 117.38 123.19 1rhx n GLN 32 Ca -0.05 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.99 1rhx n GLN 32 Cb 0.44 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.71 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 -1.00 1.08 2.35 -1.78 -3.33 115.58 112.90 1rhx h ASN 33 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 56.30 56.04 1rhx h ASN 33 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1rhx h ASN 33 CO 0.00 0.66 1.05 1.23 -1.65 0.00 0.00 177.43 178.72 1rhx h GLY 34 N 3.63 0.00 0.62 2.83 0.00 0.05 -0.37 103.07 109.82 1rhx h GLY 34 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.26 1rhx h GLY 34 CO 0.06 0.00 0.60 -0.39 0.00 0.00 0.00 176.54 176.80 1rhx h VAL 35 N 0.00 0.15 -0.30 4.60 -1.51 -1.51 -1.56 116.25 116.12 1rhx h VAL 35 Ca 0.47 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 66.03 1rhx h VAL 35 Cb 2.56 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 32.19 1rhx h VAL 35 CO -0.00 0.00 0.42 -0.26 -1.23 0.00 0.00 177.57 176.49 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.38 -1.46 116.94 119.33 1rhx h PHE 36 Ca 0.16 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1rhx h PHE 36 Cb 1.35 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.50 1rhx h PHE 36 CO 0.00 0.00 -0.10 -1.49 -0.60 0.00 0.00 178.31 176.12 1rhx h TRP 37 N 0.00 0.00 -0.11 -0.55 4.06 -1.55 -3.25 115.95 114.55 1rhx h TRP 37 Ca 0.14 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.02 1rhx h TRP 37 Cb 0.98 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.11 1rhx h TRP 37 CO 0.00 0.10 0.10 0.00 -3.56 0.00 0.00 178.44 175.08 1rhx n ALA 38 N -2.18 4.26 -2.42 1.49 0.00 -0.55 -3.39 120.51 117.71 1rhx n ALA 38 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.05 1rhx n ALA 38 Cb 0.31 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 1.23 -0.13 0.00 0.00 -0.00 -1.23 -1.25 117.00 115.62 1rhx n LEU 39 Ca 0.07 -1.11 -0.16 0.00 -0.00 0.00 0.00 56.01 54.81 1rhx n LEU 39 Cb 0.52 0.83 -0.01 0.00 -0.00 0.00 0.00 43.42 44.76 1rhx n LEU 39 CO 0.09 1.02 0.00 -0.62 -0.00 0.00 0.00 177.39 177.88 1rhx n GLU 40 N -0.13 1.09 -1.89 1.47 -0.58 -1.22 -5.09 120.64 114.29 1rhx n GLU 40 Ca -0.02 -1.97 -0.25 0.00 -0.42 0.00 0.00 57.16 54.50 1rhx n GLU 40 Cb 0.51 0.28 0.03 0.00 -0.57 0.00 0.00 31.44 31.70 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 -1.12 3.44 0.00 3.49 0.28 -1.26 -5.00 120.64 120.48 1rhx n GLU 41 Ca -0.04 -4.02 0.00 0.00 -0.16 0.00 0.00 57.16 52.95 1rhx n GLU 41 Cb 0.35 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.95 1rhx n GLU 41 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1rhx n LEU 42 N -0.75 0.00 -3.92 -1.84 -0.00 -1.26 -5.14 117.00 104.08 1rhx n LEU 42 Ca 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.39 1rhx n LEU 42 Cb 0.92 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.25 1rhx n LEU 42 CO 0.46 0.00 -0.19 -1.83 -0.00 0.00 0.00 177.39 175.82 1rhx s GLU 43 N 1.02 0.65 0.03 1.96 -1.05 -1.26 -5.04 118.70 115.01 1rhx s GLU 43 Ca 0.00 -0.83 0.07 0.00 -0.15 0.00 0.00 54.97 54.05 1rhx s GLU 43 Cb 0.00 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1rhx s GLU 43 CO 0.00 -0.17 -0.19 -0.08 0.95 0.00 0.00 175.26 175.76 1rhx s THR 44 N -3.00 1.55 -0.85 1.83 -1.32 -1.23 -4.21 115.64 108.42 1rhx s THR 44 Ca -0.02 -1.09 0.22 0.00 -1.21 0.00 0.00 61.69 59.59 1rhx s THR 44 Cb 0.01 -1.34 -0.17 0.00 -1.51 0.00 0.00 72.50 69.49 1rhx s THR 44 CO -0.06 0.22 0.99 -0.81 -2.21 0.00 0.00 174.62 172.75 1rhx n PRO 45 N 2.00 0.11 -1.83 7.08 -0.04 -1.26 -5.01 135.00 136.04 1rhx n PRO 45 Ca -0.17 -0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1rhx n PRO 45 Cb 0.54 -1.52 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.08 2.55 0.16 0.55 0.00 -1.22 -4.47 121.76 116.24 1rhx s ALA 46 Ca 0.07 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1rhx s ALA 46 Cb 0.16 -2.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 1rhx s ALA 46 CO 0.83 -1.68 0.99 -1.59 0.00 0.00 0.00 175.76 174.31 1rhx s LYS 47 N -5.48 4.71 -0.16 0.00 -2.85 -1.18 -5.00 119.74 109.79 1rhx s LYS 47 Ca 0.62 1.52 -0.04 0.00 -1.00 0.00 0.00 55.97 57.06 1rhx s LYS 47 Cb -0.12 -3.33 0.06 0.00 -2.06 0.00 0.00 37.83 32.38 1rhx s LYS 47 CO 0.50 0.25 0.08 0.08 0.10 0.00 0.00 175.35 176.36 1rhx s VAL 48 N -0.33 -0.03 0.04 1.79 1.01 -1.26 -2.52 120.40 119.10 1rhx s VAL 48 Ca 0.46 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.38 1rhx s VAL 48 Cb -0.25 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1rhx s VAL 48 CO 0.32 -0.23 -0.20 -0.31 0.00 0.00 0.00 175.10 174.68 1rhx s TYR 49 N 2.12 1.80 0.13 5.22 2.02 -1.19 -4.15 117.35 123.29 1rhx s TYR 49 Ca 0.02 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.46 1rhx s TYR 49 Cb -0.16 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 1rhx s TYR 49 CO -0.08 0.08 -0.26 0.00 -1.57 0.00 0.00 175.55 173.72 1rhx s ALA 50 N -0.79 2.40 -0.41 3.71 0.00 -0.57 -1.16 121.76 124.94 1rhx s ALA 50 Ca 0.07 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1rhx s ALA 50 Cb -0.09 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1rhx s ALA 50 CO 0.02 0.54 1.17 0.42 0.00 0.00 0.00 175.76 177.91 1rhx s ILE 51 N -1.06 4.24 0.11 0.00 -1.09 0.03 -0.70 121.20 122.73 1rhx s ILE 51 Ca 0.14 1.32 -0.32 0.00 -2.23 0.00 0.00 60.65 59.56 1rhx s ILE 51 Cb -0.10 -4.47 -0.11 0.00 -1.58 0.00 0.00 42.46 36.20 1rhx s ILE 51 CO 0.06 -0.80 1.57 0.50 -1.23 0.00 0.00 174.94 175.04 1rhx h LYS 52 N 9.12 -0.64 -0.37 2.79 3.64 -1.38 -1.66 116.57 128.08 1rhx h LYS 52 Ca -0.23 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1rhx h LYS 52 Cb 1.07 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 1rhx h LYS 52 CO 1.09 -0.43 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.19 1rhx h ASP 53 N -0.66 -0.72 -0.32 4.20 5.19 -1.91 -0.77 116.42 121.41 1rhx h ASP 53 Ca 0.02 0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 1rhx h ASP 53 Cb 0.71 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 1rhx h ASP 53 CO -0.30 -0.25 -0.04 0.44 -3.12 0.00 0.00 179.24 175.97 1rhx h ASP 54 N -0.16 0.68 -0.24 6.45 5.19 -1.85 0.11 116.42 126.61 1rhx h ASP 54 Ca 0.18 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1rhx h ASP 54 Cb 0.44 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1rhx h ASP 54 CO -0.46 0.78 0.02 0.15 -3.12 0.00 0.00 179.24 176.61 1rhx h PHE 55 N 0.66 0.43 -0.95 4.55 3.57 -0.70 -1.19 116.94 123.31 1rhx h PHE 55 Ca 0.13 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1rhx h PHE 55 Cb 0.47 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1rhx h PHE 55 CO 0.02 0.54 0.57 -0.07 -2.23 0.00 0.00 178.31 177.15 1rhx h LEU 56 N 0.19 1.13 0.00 0.59 3.38 -0.80 0.54 115.31 120.35 1rhx h LEU 56 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rhx h LEU 56 Cb 0.36 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1rhx h LEU 56 CO 0.01 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1rhx n ALA 57 N -2.40 1.88 -1.55 1.53 0.00 0.34 -2.30 120.51 118.02 1rhx n ALA 57 Ca 0.11 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1rhx n ALA 57 Cb 0.06 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.42 2.61 -0.19 0.00 0.00 0.14 -4.95 116.66 112.85 1rhx n ARG 58 Ca 0.06 -3.47 0.00 0.00 -0.00 0.00 0.00 57.85 54.44 1rhx n ARG 58 Cb 0.19 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.52 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 -0.96 2.57 0.70 5.14 0.00 -0.97 -5.01 105.19 106.66 1rhx n GLY 59 Ca 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 -3.88 -4.26 1.61 4.02 -0.97 -4.99 117.16 106.68 1rhx n TYR 60 Ca 0.00 -0.23 -0.15 0.00 -0.01 0.00 0.00 57.90 57.51 1rhx n TYR 60 Cb 0.00 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 39.04 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 -1.86 0.81 0.23 7.72 1.04 -1.26 -4.52 113.70 115.86 1rhx s SER 61 Ca 0.13 -1.44 0.20 0.00 0.48 0.00 0.00 55.95 55.32 1rhx s SER 61 Cb -0.00 0.33 0.93 0.00 0.10 0.00 0.00 66.02 67.38 1rhx s SER 61 CO 0.09 -0.83 1.62 -0.62 0.98 0.00 0.00 173.24 174.48 1rhx n GLU 62 N -0.41 0.14 0.00 4.02 1.02 -1.26 -2.56 120.64 121.60 1rhx n GLU 62 Ca 0.02 0.48 0.07 0.00 -0.02 0.00 0.00 57.16 57.71 1rhx n GLU 62 Cb 0.66 -1.84 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.12 1.64 0.07 3.49 2.13 -1.26 -4.46 120.64 120.14 1rhx n GLU 63 Ca 0.01 -0.88 0.05 0.00 0.66 0.00 0.00 57.16 57.00 1rhx n GLU 63 Cb 0.14 -1.22 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 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 1.83 0.00 -3.32 4.31 3.32 -1.91 -3.46 116.42 117.18 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 0.50 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 1rhx h ASP 64 CO 0.00 0.34 0.33 -0.55 -1.72 0.00 0.00 179.24 177.65 1rhx s SER 65 N -5.68 7.00 -0.05 6.45 0.15 -1.26 -4.88 113.70 115.42 1rhx s SER 65 Ca -0.01 1.22 -0.00 0.00 0.70 0.00 0.00 55.95 57.86 1rhx s SER 65 Cb 0.09 -2.46 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1rhx s SER 65 CO 0.79 -0.33 1.82 2.29 1.20 0.00 0.00 173.24 179.01 1rhx n LYS 66 N 4.84 1.13 -3.73 5.44 2.85 -0.38 -4.80 118.16 123.51 1rhx n LYS 66 Ca 0.04 -0.27 -0.10 0.00 -1.05 0.00 0.00 58.31 56.93 1rhx n LYS 66 Cb 0.49 -1.10 -0.05 0.00 -0.65 0.00 0.00 35.03 33.72 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 -0.37 0.05 -0.10 0.58 -7.23 -1.26 -4.94 120.40 107.12 1rhx s VAL 67 Ca 0.05 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 1rhx s VAL 67 Cb 0.04 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 1rhx s VAL 67 CO 0.00 -0.23 1.64 -2.16 -0.31 0.00 0.00 175.10 174.04 1rhx s PRO 68 N -3.86 4.06 -0.27 4.82 0.04 -1.26 -4.86 135.00 133.67 1rhx s PRO 68 Ca 0.08 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1rhx s PRO 68 Cb 0.01 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.56 1rhx s PRO 68 CO -0.06 -0.99 1.04 -0.51 0.04 0.00 0.00 177.00 176.52 1rhx s LEU 69 N 4.42 4.03 0.40 -3.56 1.43 -1.26 -1.51 118.68 122.64 1rhx s LEU 69 Ca 0.73 1.21 0.07 0.00 -1.03 0.00 0.00 54.13 55.12 1rhx s LEU 69 Cb -0.31 -3.51 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 1rhx s LEU 69 CO 0.29 -0.74 -0.00 0.27 0.23 0.00 0.00 176.35 176.40 1rhx s ILE 70 N 3.35 2.01 0.72 -0.59 -4.36 0.13 -4.83 121.20 117.63 1rhx s ILE 70 Ca 0.44 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.73 1rhx s ILE 70 Cb -0.14 -2.96 0.07 0.00 1.25 0.00 0.00 42.46 40.68 1rhx s ILE 70 CO 0.10 -0.02 1.04 0.42 0.24 0.00 0.00 174.94 176.72 1rhx s THR 71 N -2.71 2.24 0.25 8.37 -4.23 -1.26 -0.98 115.64 117.32 1rhx s THR 71 Ca 0.35 -0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1rhx s THR 71 Cb 0.09 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 71.16 1rhx s THR 71 CO 0.18 0.00 1.77 1.88 -0.54 0.00 0.00 174.62 177.91 1rhx h TYR 72 N -0.67 0.72 -0.18 3.99 0.05 -1.97 -2.40 116.97 116.50 1rhx h TYR 72 Ca -0.44 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.26 1rhx h TYR 72 Cb 1.31 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 1rhx h TYR 72 CO 0.26 0.21 -0.38 0.66 -1.05 0.00 0.00 178.16 177.86 1rhx h SER 73 N 0.63 0.41 0.37 3.88 4.64 -1.99 -0.72 113.55 120.76 1rhx h SER 73 Ca 0.41 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1rhx h SER 73 Cb 0.52 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1rhx h SER 73 CO -0.32 0.76 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.82 1rhx h GLU 74 N 0.33 0.00 -0.06 4.77 4.39 -1.88 -2.43 114.58 119.70 1rhx h GLU 74 Ca 0.03 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1rhx h GLU 74 Cb 0.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1rhx h GLU 74 CO 0.07 0.25 -0.34 0.35 -1.16 0.00 0.00 179.01 178.18 1rhx h PHE 75 N 0.00 0.45 -0.98 4.33 3.57 -0.81 -3.29 116.94 120.20 1rhx h PHE 75 Ca -0.00 -0.21 0.11 0.00 3.53 0.00 0.00 57.97 61.40 1rhx h PHE 75 Cb 0.50 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 1rhx h PHE 75 CO 0.00 0.96 0.62 0.82 -2.23 0.00 0.00 178.31 178.48 1rhx h ILE 76 N -0.18 0.95 -0.95 1.41 1.08 -0.80 -0.66 117.51 118.36 1rhx h ILE 76 Ca -0.03 -0.34 0.21 0.00 -0.39 0.00 0.00 64.86 64.31 1rhx h ILE 76 Cb 1.01 -0.13 -0.08 0.00 -3.07 0.00 0.00 36.82 34.55 1rhx h ILE 76 CO 0.07 0.18 0.61 -0.78 -0.69 0.00 0.00 178.15 177.55 1rhx h ASP 77 N 0.99 0.52 0.97 1.72 1.82 -1.52 0.16 116.42 121.09 1rhx h ASP 77 Ca 0.47 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 57.16 1rhx h ASP 77 Cb 0.44 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 1rhx h ASP 77 CO -0.23 0.19 -0.09 -0.07 -1.61 0.00 0.00 179.24 177.43 1rhx h LEU 78 N 0.51 0.00 0.00 2.28 3.38 -1.23 -2.43 115.31 117.82 1rhx h LEU 78 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1rhx h LEU 78 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1rhx h LEU 78 CO -0.25 0.09 -0.41 0.18 0.09 0.00 0.00 178.44 178.14 1rhx n LEU 79 N -3.23 0.46 -4.04 1.67 4.77 0.54 -4.41 117.00 112.77 1rhx n LEU 79 Ca 0.00 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 1rhx n LEU 79 Cb 0.35 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1rhx n LEU 79 CO 0.30 0.05 2.07 -0.62 -1.33 0.00 0.00 177.39 177.86 1rhx n GLU 80 N -1.67 2.11 0.00 3.23 -0.58 -0.92 -1.70 120.64 121.11 1rhx n GLU 80 Ca 0.05 -2.40 0.00 0.00 -0.42 0.00 0.00 57.16 54.39 1rhx n GLU 80 Cb 0.36 -3.29 0.00 0.00 -0.57 0.00 0.00 31.44 27.94 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 4.88 0.72 3.24 0.62 0.00 -1.26 -5.09 105.19 108.29 1rhx n GLY 81 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.94 -0.38 1.61 0.41 -0.69 -5.09 118.70 115.49 1rhx s GLU 82 Ca 0.00 -1.07 0.06 0.00 -0.41 0.00 0.00 54.97 53.55 1rhx s GLU 82 Cb 0.00 0.34 0.28 0.00 -1.78 0.00 0.00 34.13 32.98 1rhx s GLU 82 CO 0.00 -0.31 1.24 -0.85 -0.49 0.00 0.00 175.26 174.85 1rhx n GLU 83 N -0.10 0.77 -1.78 1.61 0.28 -1.26 -4.45 120.64 115.71 1rhx n GLU 83 Ca -0.12 -1.42 -0.15 0.00 -0.16 0.00 0.00 57.16 55.31 1rhx n GLU 83 Cb 0.63 -0.26 0.06 0.00 1.43 0.00 0.00 31.44 33.29 1rhx n GLU 83 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rhx n LYS 84 N -0.22 2.93 -1.65 3.44 4.01 -1.26 -4.73 118.16 120.68 1rhx n LYS 84 Ca -0.07 -3.87 -0.00 0.00 -0.51 0.00 0.00 58.31 53.85 1rhx n LYS 84 Cb 0.75 -2.02 0.02 0.00 -0.51 0.00 0.00 35.03 33.27 1rhx n LYS 84 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1rhx n PHE 85 N -0.75 -0.39 -1.60 2.13 -1.74 -1.21 -4.67 117.46 109.22 1rhx n PHE 85 Ca 0.35 -0.33 -0.08 0.00 -0.56 0.00 0.00 57.45 56.83 1rhx n PHE 85 Cb 0.90 0.72 0.05 0.00 1.52 0.00 0.00 39.48 42.67 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 -0.29 0.00 0.00 1.97 2.08 -1.25 -4.40 119.36 117.47 1rhx n ILE 86 Ca -0.04 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 62.94 1rhx n ILE 86 Cb 0.56 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72