#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhx n ALA 2 N 0.00 -0.69 -3.65 -5.12 0.00 -1.26 -5.12 120.51 104.67 1rhx n ALA 2 Ca 0.00 -1.47 -0.29 0.00 0.00 0.00 0.00 53.44 51.67 1rhx n ALA 2 Cb 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 19.45 20.51 1rhx n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rhx s LEU 3 N 0.00 2.36 -0.52 0.00 1.43 -1.26 -4.96 118.68 115.73 1rhx s LEU 3 Ca 0.25 -2.61 0.07 0.00 -1.03 0.00 0.00 54.13 50.81 1rhx s LEU 3 Cb -0.02 -0.90 0.36 0.00 0.03 0.00 0.00 46.19 45.66 1rhx s LEU 3 CO 0.18 -0.26 0.94 0.52 0.23 0.00 0.00 176.35 177.95 1rhx n VAL 4 N 3.55 2.38 -3.64 -1.59 0.31 -1.26 -3.20 118.33 114.88 1rhx n VAL 4 Ca 0.11 -5.23 -0.06 0.00 -0.01 0.00 0.00 64.34 59.14 1rhx n VAL 4 Cb 0.36 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.10 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 -3.31 -0.62 -0.26 7.52 2.34 0.57 -4.45 118.68 120.47 1rhx s LEU 5 Ca 0.47 1.05 0.21 0.00 0.06 0.00 0.00 54.13 55.91 1rhx s LEU 5 Cb 0.32 1.99 0.48 0.00 -0.56 0.00 0.00 46.19 48.42 1rhx s LEU 5 CO -0.13 -0.17 1.19 0.55 -1.06 0.00 0.00 176.35 176.73 1rhx n VAL 6 N 3.39 0.96 -1.68 1.48 3.14 -1.22 -4.60 118.33 119.80 1rhx n VAL 6 Ca -0.17 -2.44 -0.19 0.00 -2.96 0.00 0.00 64.34 58.58 1rhx n VAL 6 Cb 0.57 1.23 0.10 0.00 -1.06 0.00 0.00 33.84 34.68 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 -0.71 2.78 -2.49 1.45 2.85 -1.26 -2.32 118.16 118.47 1rhx n LYS 7 Ca 0.02 -3.64 -0.00 0.00 -1.05 0.00 0.00 58.31 53.64 1rhx n LYS 7 Cb 0.83 -2.12 0.05 0.00 -0.65 0.00 0.00 35.03 33.15 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 -0.90 0.36 0.00 5.58 4.01 -1.26 -4.17 117.16 120.77 1rhx n TYR 8 Ca 0.44 -1.70 0.00 0.00 -0.16 0.00 0.00 57.90 56.48 1rhx n TYR 8 Cb 0.92 0.16 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 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 -0.56 0.42 2.06 2.72 0.00 -1.18 -4.28 105.19 104.37 1rhx n GLY 9 Ca 0.00 0.69 -0.24 0.00 0.00 0.00 0.00 46.02 46.48 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 3.09 -2.16 2.61 -2.24 -1.26 -4.28 114.28 110.03 1rhx n THR 10 Ca 0.00 -2.11 -0.13 0.00 -2.27 0.00 0.00 64.05 59.54 1rhx n THR 10 Cb 0.00 -1.17 0.05 0.00 -2.10 0.00 0.00 70.33 67.11 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 -0.29 3.57 -3.83 3.42 2.03 -1.26 -4.98 116.55 115.21 1rhx n ASP 11 Ca 0.45 -3.31 -0.06 0.00 0.52 0.00 0.00 54.79 52.38 1rhx n ASP 11 Cb 0.72 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.70 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 -3.42 -0.18 0.67 -0.67 -3.43 -1.26 -4.83 115.29 102.16 1rhx s HIS 12 Ca 0.43 -0.23 -0.11 0.00 -0.80 0.00 0.00 55.06 54.35 1rhx s HIS 12 Cb 0.38 0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 32.21 1rhx s HIS 12 CO -0.00 -1.13 1.06 -1.25 -2.00 0.00 0.00 174.74 171.41 1rhx s PRO 13 N -3.76 3.19 0.00 -0.38 0.04 -1.26 -4.38 135.00 128.45 1rhx s PRO 13 Ca 0.11 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1rhx s PRO 13 Cb -0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1rhx s PRO 13 CO 0.05 -0.86 0.00 0.28 0.04 0.00 0.00 177.00 176.52 1rhx n VAL 14 N -2.94 0.00 -0.51 -0.36 0.31 -1.26 -4.78 118.33 108.80 1rhx n VAL 14 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1rhx n VAL 14 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.18 0.12 5.55 1.02 -1.26 -0.55 120.64 125.70 1rhx n GLU 15 Ca 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1rhx n GLU 15 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.11 3.49 3.00 -1.26 -4.63 118.16 118.59 1rhx n LYS 16 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 58.31 58.57 1rhx n LYS 16 Cb 0.13 0.00 0.72 0.00 0.00 0.00 0.00 35.03 35.87 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 -0.25 3.14 3.38 -1.92 0.39 115.31 120.05 1rhx h LEU 17 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1rhx h LEU 17 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1rhx h LEU 17 CO 0.00 0.00 0.09 0.07 0.09 0.00 0.00 178.44 178.69 1rhx h LYS 18 N 0.00 0.20 0.00 1.13 5.09 -1.84 -0.26 116.57 120.90 1rhx h LYS 18 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 61.09 1rhx h LYS 18 Cb 1.48 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.77 1rhx h LYS 18 CO -0.00 0.13 0.00 -0.89 -2.09 0.00 0.00 179.45 176.60 1rhx n ILE 19 N -5.03 1.06 -0.03 0.07 5.41 0.13 -0.65 119.36 120.33 1rhx n ILE 19 Ca -0.02 0.26 0.04 0.00 1.00 0.00 0.00 62.75 64.03 1rhx n ILE 19 Cb 0.08 -1.10 -0.13 0.00 -0.71 0.00 0.00 39.64 37.79 1rhx n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1rhx n ARG 20 N -1.40 0.79 -3.02 0.38 5.12 -0.64 -4.89 116.66 112.99 1rhx n ARG 20 Ca 0.04 -0.11 0.01 0.00 -1.93 0.00 0.00 57.85 55.86 1rhx n ARG 20 Cb 0.10 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1rhx n ARG 20 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1rhx s SER 21 N -4.21 -1.08 0.11 0.55 0.01 -0.20 -5.11 113.70 103.78 1rhx s SER 21 Ca -0.07 -0.59 -0.25 0.00 1.31 0.00 0.00 55.95 56.35 1rhx s SER 21 Cb 0.09 1.38 0.08 0.00 0.21 0.00 0.00 66.02 67.78 1rhx s SER 21 CO 0.67 -0.11 1.09 0.00 0.41 0.00 0.00 173.24 175.30 1rhx s ALA 22 N 1.83 -1.83 0.22 1.44 0.00 0.18 -4.44 121.76 119.16 1rhx s ALA 22 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1rhx s ALA 22 Cb -0.01 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1rhx s ALA 22 CO -0.10 -1.07 0.23 1.17 0.00 0.00 0.00 175.76 176.00 1rhx n LYS 23 N -0.61 0.34 0.13 0.00 3.00 -1.26 -4.88 118.16 114.88 1rhx n LYS 23 Ca -0.04 -2.02 0.03 0.00 -0.00 0.00 0.00 58.31 56.28 1rhx n LYS 23 Cb 0.60 1.76 0.43 0.00 0.00 0.00 0.00 35.03 37.82 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 1.74 1.59 -0.24 3.14 0.00 -1.98 -3.13 119.26 120.38 1rhx h ALA 24 Ca -0.16 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1rhx h ALA 24 Cb 0.77 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1rhx h ALA 24 CO 0.23 0.30 0.20 -0.85 0.00 0.00 0.00 179.25 179.13 1rhx n GLU 25 N -4.32 1.39 -4.71 0.00 0.28 -1.26 -3.88 120.64 108.14 1rhx n GLU 25 Ca -0.01 -0.78 -0.32 0.00 -0.16 0.00 0.00 57.16 55.90 1rhx n GLU 25 Cb 0.23 -1.30 -0.08 0.00 1.43 0.00 0.00 31.44 31.72 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 1.04 3.83 -0.08 -1.84 -1.08 -1.18 -5.08 116.67 112.27 1rhx s ASP 26 Ca 0.15 -1.68 -0.05 0.00 -0.52 0.00 0.00 52.55 50.45 1rhx s ASP 26 Cb 0.12 0.56 0.03 0.00 -1.46 0.00 0.00 42.92 42.18 1rhx s ASP 26 CO 0.00 -0.89 0.20 -1.59 0.52 0.00 0.00 175.17 173.41 1rhx s LYS 27 N -3.84 0.19 0.06 4.34 0.00 -1.26 -3.06 119.74 116.17 1rhx s LYS 27 Ca 0.09 0.38 -0.15 0.00 0.00 0.00 0.00 55.97 56.29 1rhx s LYS 27 Cb 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 37.83 37.84 1rhx s LYS 27 CO 0.05 -0.10 0.35 0.42 0.00 0.00 0.00 175.35 176.06 1rhx s ILE 28 N 0.73 0.08 -0.03 3.79 1.01 -0.93 -4.83 121.20 121.01 1rhx s ILE 28 Ca -0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1rhx s ILE 28 Cb -0.07 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1rhx s ILE 28 CO -0.04 -0.34 0.27 -0.69 0.00 0.00 0.00 174.94 174.14 1rhx s VAL 29 N -2.75 0.05 0.00 2.92 1.01 -1.26 -3.12 120.40 117.25 1rhx s VAL 29 Ca -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1rhx s VAL 29 Cb -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1rhx s VAL 29 CO -0.05 -0.22 -0.08 -0.76 0.00 0.00 0.00 175.10 174.00 1rhx s LEU 30 N -0.98 3.12 0.35 3.92 1.43 -0.38 -4.89 118.68 121.25 1rhx s LEU 30 Ca -0.10 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1rhx s LEU 30 Cb -0.05 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1rhx s LEU 30 CO 0.03 0.28 0.15 0.27 0.23 0.00 0.00 176.35 177.31 1rhx s ILE 31 N -0.98 0.49 0.00 -0.59 -4.36 -1.20 -0.75 121.20 113.81 1rhx s ILE 31 Ca 0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1rhx s ILE 31 Cb -0.11 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1rhx s ILE 31 CO 0.07 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.25 1rhx n GLN 32 N -0.73 0.00 0.10 0.37 1.13 -1.26 0.41 117.38 117.40 1rhx n GLN 32 Ca -0.02 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1rhx n GLN 32 Cb 0.65 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.97 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 -1.27 1.08 2.35 -1.77 -3.28 115.58 112.69 1rhx h ASN 33 Ca 0.00 0.00 0.37 0.00 -0.55 0.00 0.00 56.30 56.12 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 0.58 1.10 1.23 -1.65 0.00 0.00 177.43 178.69 1rhx h GLY 34 N 3.51 0.00 1.30 2.83 0.00 0.38 -0.90 103.07 110.19 1rhx h GLY 34 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1rhx h GLY 34 CO 0.07 0.00 0.33 -0.39 0.00 0.00 0.00 176.54 176.55 1rhx h VAL 35 N 0.00 0.00 -0.23 4.60 -1.51 -1.46 -1.29 116.25 116.36 1rhx h VAL 35 Ca 0.60 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 66.14 1rhx h VAL 35 Cb 2.80 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 32.53 1rhx h VAL 35 CO -0.01 0.00 0.30 -0.26 -1.23 0.00 0.00 177.57 176.38 1rhx h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.46 -0.66 116.94 119.01 1rhx h PHE 36 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rhx h PHE 36 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 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 -0.49 -0.55 4.06 -1.50 -2.51 115.95 114.96 1rhx h TRP 37 Ca 0.11 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.73 1rhx h TRP 37 Cb 0.71 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.73 1rhx h TRP 37 CO 0.00 0.00 0.42 0.00 -3.56 0.00 0.00 178.44 175.30 1rhx n ALA 38 N -1.80 5.05 -2.65 1.49 0.00 -0.26 -4.16 120.51 118.18 1rhx n ALA 38 Ca 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 53.44 51.73 1rhx n ALA 38 Cb 0.19 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 0.24 -1.06 0.00 0.00 -0.00 -0.95 -2.00 117.00 113.24 1rhx n LEU 39 Ca 0.31 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.70 1rhx n LEU 39 Cb 0.63 0.97 0.00 0.00 -0.00 0.00 0.00 43.42 45.02 1rhx n LEU 39 CO 0.39 1.30 0.00 -0.62 -0.00 0.00 0.00 177.39 178.46 1rhx n GLU 40 N 0.02 1.80 -1.59 1.47 -0.58 -1.26 -5.03 120.64 115.47 1rhx n GLU 40 Ca -0.18 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.28 1rhx n GLU 40 Cb 0.70 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.63 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 0.00 3.02 0.00 3.49 1.02 -1.26 -4.99 120.64 121.92 1rhx n GLU 41 Ca 0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 1rhx n GLU 41 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1rhx n GLU 41 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rhx n LEU 42 N -0.85 0.00 0.00 -4.62 4.77 -1.26 -5.15 117.00 109.89 1rhx n LEU 42 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1rhx n LEU 42 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1rhx n LEU 42 CO 0.57 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.79 1rhx n GLU 43 N 0.00 0.00 -2.98 3.23 0.28 -1.26 -5.01 120.64 114.90 1rhx n GLU 43 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1rhx n GLU 43 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1rhx n GLU 43 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1rhx s THR 44 N -0.54 4.50 -1.85 3.84 -1.32 0.29 -4.86 115.64 115.70 1rhx s THR 44 Ca 0.00 1.30 0.29 0.00 -1.21 0.00 0.00 61.69 62.07 1rhx s THR 44 Cb 0.00 -3.70 0.73 0.00 -1.51 0.00 0.00 72.50 68.02 1rhx s THR 44 CO 0.00 -0.12 2.03 -0.81 -2.21 0.00 0.00 174.62 173.51 1rhx n PRO 45 N -0.15 0.77 -1.76 7.08 -0.04 -1.26 -4.84 135.00 134.80 1rhx n PRO 45 Ca 0.03 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 1rhx n PRO 45 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.12 0.29 0.55 0.00 -1.24 -4.51 121.76 116.82 1rhx s ALA 46 Ca 0.39 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 1rhx s ALA 46 Cb 0.19 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 1rhx s ALA 46 CO 0.36 -2.28 0.97 -1.59 0.00 0.00 0.00 175.76 173.22 1rhx s LYS 47 N -5.62 4.68 -0.04 0.00 -2.85 -1.17 -4.98 119.74 109.76 1rhx s LYS 47 Ca 0.68 1.48 0.01 0.00 -1.00 0.00 0.00 55.97 57.14 1rhx s LYS 47 Cb -0.09 -3.05 0.02 0.00 -2.06 0.00 0.00 37.83 32.66 1rhx s LYS 47 CO 0.52 0.34 -0.04 0.08 0.10 0.00 0.00 175.35 176.35 1rhx s VAL 48 N -1.36 0.46 0.05 1.79 1.01 -1.26 -2.18 120.40 118.90 1rhx s VAL 48 Ca 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1rhx s VAL 48 Cb -0.24 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1rhx s VAL 48 CO 0.30 0.20 0.03 -0.31 0.00 0.00 0.00 175.10 175.32 1rhx s TYR 49 N 0.79 0.36 0.02 5.22 2.02 -1.18 -4.34 117.35 120.24 1rhx s TYR 49 Ca -0.10 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 55.83 1rhx s TYR 49 Cb -0.13 -0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.15 1rhx s TYR 49 CO -0.00 -0.36 -0.05 0.00 -1.57 0.00 0.00 175.55 173.56 1rhx s ALA 50 N -3.17 0.38 -0.41 3.71 0.00 -0.43 -1.25 121.76 120.59 1rhx s ALA 50 Ca -0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1rhx s ALA 50 Cb 0.02 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1rhx s ALA 50 CO -0.07 -0.03 1.14 0.42 0.00 0.00 0.00 175.76 177.21 1rhx s ILE 51 N -1.06 4.30 0.12 0.00 -1.09 0.07 -0.53 121.20 123.00 1rhx s ILE 51 Ca -0.09 1.41 -0.28 0.00 -2.23 0.00 0.00 60.65 59.46 1rhx s ILE 51 Cb -0.08 -4.50 -0.07 0.00 -1.58 0.00 0.00 42.46 36.23 1rhx s ILE 51 CO -0.00 -0.78 1.62 0.50 -1.23 0.00 0.00 174.94 175.05 1rhx h LYS 52 N 8.87 -0.50 -0.59 2.79 3.64 -1.27 -1.38 116.57 128.13 1rhx h LYS 52 Ca -0.22 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1rhx h LYS 52 Cb 1.06 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.90 1rhx h LYS 52 CO 1.09 -0.33 0.03 0.22 -2.27 0.00 0.00 179.45 178.19 1rhx h ASP 53 N -0.52 -0.19 -0.44 4.20 3.58 -1.92 0.32 116.42 121.45 1rhx h ASP 53 Ca 0.04 0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.55 1rhx h ASP 53 Cb 0.57 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1rhx h ASP 53 CO -0.21 -0.08 -0.04 0.44 -2.88 0.00 0.00 179.24 176.47 1rhx h ASP 54 N 0.15 0.81 -0.73 2.28 3.32 -1.88 -0.89 116.42 119.48 1rhx h ASP 54 Ca 0.31 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1rhx h ASP 54 Cb 0.49 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1rhx h ASP 54 CO -0.48 0.94 0.37 0.15 -1.72 0.00 0.00 179.24 178.50 1rhx h PHE 55 N 0.65 1.03 -0.60 4.55 3.57 -0.10 0.19 116.94 126.23 1rhx h PHE 55 Ca 0.12 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1rhx h PHE 55 Cb 0.55 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1rhx h PHE 55 CO 0.04 0.75 0.23 -0.07 -2.23 0.00 0.00 178.31 177.03 1rhx h LEU 56 N 1.02 0.84 -1.58 0.59 3.38 -0.90 -0.45 115.31 118.20 1rhx h LEU 56 Ca 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1rhx h LEU 56 Cb 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1rhx h LEU 56 CO -0.04 0.79 -0.17 0.00 0.09 0.00 0.00 178.44 179.12 1rhx h ALA 57 N 1.08 1.16 -0.80 1.53 0.00 -0.58 -2.98 119.26 118.66 1rhx h ALA 57 Ca 0.20 -0.15 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 1rhx h ALA 57 Cb 0.22 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.75 1rhx h ALA 57 CO -0.01 0.21 0.65 -2.13 0.00 0.00 0.00 179.25 177.96 1rhx n ARG 58 N -3.51 2.24 -3.86 0.00 0.00 0.61 -4.92 116.66 107.21 1rhx n ARG 58 Ca -0.01 -2.57 -0.37 0.00 -0.00 0.00 0.00 57.85 54.91 1rhx n ARG 58 Cb 0.32 -2.01 0.03 0.00 0.00 0.00 0.00 32.46 30.80 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 -0.56 -0.85 3.19 5.14 0.00 -1.12 -4.97 105.19 106.02 1rhx n GLY 59 Ca 0.50 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.77 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 -3.55 1.06 0.66 1.61 2.02 -1.06 -5.04 117.35 113.05 1rhx s TYR 60 Ca 0.44 -0.75 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 1rhx s TYR 60 Cb -0.19 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1rhx s TYR 60 CO 0.91 -0.02 1.04 0.45 -1.57 0.00 0.00 175.55 176.36 1rhx s SER 61 N -2.78 5.64 0.30 2.29 0.15 -1.26 -4.31 113.70 113.73 1rhx s SER 61 Ca 0.10 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1rhx s SER 61 Cb 0.01 -2.01 0.49 0.00 -1.71 0.00 0.00 66.02 62.80 1rhx s SER 61 CO -0.01 -1.18 1.87 -0.33 1.20 0.00 0.00 173.24 174.79 1rhx h GLU 62 N -0.49 0.78 0.00 5.44 5.08 -1.98 -2.93 114.58 120.48 1rhx h GLU 62 Ca -0.45 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1rhx h GLU 62 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1rhx h GLU 62 CO 0.63 0.67 0.00 -1.91 -1.00 0.00 0.00 179.01 177.40 1rhx n GLU 63 N -4.31 0.25 0.01 2.33 2.13 -1.26 -3.60 120.64 116.19 1rhx n GLU 63 Ca 0.04 0.02 0.13 0.00 0.66 0.00 0.00 57.16 58.01 1rhx n GLU 63 Cb 0.19 -1.50 0.42 0.00 0.27 0.00 0.00 31.44 30.82 1rhx n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1rhx n ASP 64 N -1.37 0.30 -4.69 4.31 8.00 -1.11 -4.83 116.55 117.17 1rhx n ASP 64 Ca 0.11 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 1rhx n ASP 64 Cb 0.26 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 1rhx n ASP 64 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rhx s SER 65 N -3.15 6.35 -0.13 -2.24 0.15 -1.24 -4.93 113.70 108.51 1rhx s SER 65 Ca 0.12 0.40 -0.00 0.00 0.70 0.00 0.00 55.95 57.17 1rhx s SER 65 Cb 0.18 -2.18 0.11 0.00 -1.71 0.00 0.00 66.02 62.42 1rhx s SER 65 CO 0.62 0.02 1.76 2.29 1.20 0.00 0.00 173.24 179.14 1rhx n LYS 66 N 4.10 1.33 -3.68 5.44 2.85 -0.85 -4.78 118.16 122.57 1rhx n LYS 66 Ca -0.11 -0.68 -0.10 0.00 -1.05 0.00 0.00 58.31 56.36 1rhx n LYS 66 Cb 0.52 -1.27 -0.04 0.00 -0.65 0.00 0.00 35.03 33.58 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 -0.93 0.06 -0.08 0.58 -7.23 -1.26 -4.95 120.40 106.58 1rhx s VAL 67 Ca 0.13 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 1rhx s VAL 67 Cb 0.11 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 1rhx s VAL 67 CO 0.01 -0.25 1.62 -2.16 -0.31 0.00 0.00 175.10 174.01 1rhx s PRO 68 N -3.84 4.14 -0.15 4.82 0.04 -1.26 -4.84 135.00 133.91 1rhx s PRO 68 Ca 0.06 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 1rhx s PRO 68 Cb 0.01 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1rhx s PRO 68 CO -0.08 -0.89 1.04 -0.51 0.04 0.00 0.00 177.00 176.60 1rhx s LEU 69 N 4.16 4.19 0.41 -3.56 1.43 -1.26 -1.31 118.68 122.73 1rhx s LEU 69 Ca 0.72 1.50 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 1rhx s LEU 69 Cb -0.31 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 1rhx s LEU 69 CO 0.28 -0.55 0.02 0.27 0.23 0.00 0.00 176.35 176.60 1rhx s ILE 70 N 2.52 1.68 0.68 -0.59 -4.36 0.31 -4.84 121.20 116.60 1rhx s ILE 70 Ca 0.48 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1rhx s ILE 70 Cb -0.18 -2.82 0.05 0.00 1.25 0.00 0.00 42.46 40.76 1rhx s ILE 70 CO 0.14 0.00 1.00 0.42 0.24 0.00 0.00 174.94 176.74 1rhx s THR 71 N -2.87 2.62 0.35 8.37 -4.23 -1.26 -0.76 115.64 117.86 1rhx s THR 71 Ca 0.31 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1rhx s THR 71 Cb 0.08 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 71.11 1rhx s THR 71 CO 0.15 -0.13 1.90 1.88 -0.54 0.00 0.00 174.62 177.89 1rhx h TYR 72 N -0.53 0.83 -0.05 3.99 -1.99 -1.97 -2.77 116.97 114.48 1rhx h TYR 72 Ca -0.45 0.02 -0.22 0.00 2.00 0.00 0.00 58.73 60.08 1rhx h TYR 72 Cb 1.30 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 39.77 1rhx h TYR 72 CO 0.37 0.37 -0.87 0.77 -0.00 0.00 0.00 178.16 178.80 1rhx h SER 73 N 0.76 0.69 -0.74 3.88 0.02 -2.00 -2.86 113.55 113.31 1rhx h SER 73 Ca 0.39 -0.51 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1rhx h SER 73 Cb 0.49 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1rhx h SER 73 CO -0.16 1.29 0.49 -0.33 -1.14 0.00 0.00 176.83 176.98 1rhx h GLU 74 N 0.35 0.89 -0.51 3.45 4.39 -1.90 -2.20 114.58 119.05 1rhx h GLU 74 Ca -0.07 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1rhx h GLU 74 Cb 1.50 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1rhx h GLU 74 CO 0.16 0.59 0.19 0.35 -1.16 0.00 0.00 179.01 179.15 1rhx h PHE 75 N 0.92 0.78 -0.92 4.33 3.57 -1.31 -2.99 116.94 121.32 1rhx h PHE 75 Ca 0.29 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1rhx h PHE 75 Cb 0.02 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 1rhx h PHE 75 CO -0.00 0.65 0.59 0.82 -2.23 0.00 0.00 178.31 178.14 1rhx h ILE 76 N 0.68 1.09 0.00 1.41 1.08 -1.18 -0.96 117.51 119.63 1rhx h ILE 76 Ca 0.17 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1rhx h ILE 76 Cb 0.21 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 33.86 1rhx h ILE 76 CO -0.01 0.20 -0.05 -0.78 -0.69 0.00 0.00 178.15 176.82 1rhx h ASP 77 N 1.10 0.00 1.43 1.72 3.58 -1.36 -0.27 116.42 122.62 1rhx h ASP 77 Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.84 1rhx h ASP 77 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1rhx h ASP 77 CO -0.15 0.05 0.00 0.18 -2.88 0.00 0.00 179.24 176.44 1rhx n LEU 78 N -4.15 0.84 0.00 2.28 4.77 -0.38 -4.30 117.00 116.06 1rhx n LEU 78 Ca -0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1rhx n LEU 78 Cb 0.14 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1rhx n LEU 78 CO 0.32 -0.23 0.00 0.18 -1.33 0.00 0.00 177.39 176.33 1rhx n LEU 79 N -2.30 1.81 -3.08 2.23 4.77 -0.14 -4.88 117.00 115.41 1rhx n LEU 79 Ca 0.05 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1rhx n LEU 79 Cb 0.42 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1rhx n LEU 79 CO 0.30 -0.05 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.62 1rhx n GLU 80 N -0.97 -0.51 -0.02 3.23 -0.58 -1.04 -2.01 120.64 118.75 1rhx n GLU 80 Ca 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1rhx n GLU 80 Cb 0.00 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 -0.91 0.99 2.57 0.62 0.00 -1.26 -5.04 105.19 102.16 1rhx n GLY 81 Ca -0.07 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.02 2.12 -2.56 1.61 2.13 -0.85 -5.04 120.64 116.03 1rhx n GLU 82 Ca 0.00 -4.12 -0.42 0.00 0.66 0.00 0.00 57.16 53.29 1rhx n GLU 82 Cb 0.00 -1.96 -0.01 0.00 0.27 0.00 0.00 31.44 29.73 1rhx n GLU 82 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1rhx s GLU 83 N -2.98 3.80 -0.28 5.31 2.02 -1.26 -4.56 118.70 120.76 1rhx s GLU 83 Ca 0.44 -1.60 0.14 0.00 0.02 0.00 0.00 54.97 53.97 1rhx s GLU 83 Cb 0.32 -5.46 0.39 0.00 0.10 0.00 0.00 34.13 29.48 1rhx s GLU 83 CO -0.11 -2.26 1.38 0.36 0.02 0.00 0.00 175.26 174.66 1rhx n LYS 84 N 8.61 1.26 -1.89 1.61 2.85 -1.26 -4.96 118.16 124.38 1rhx n LYS 84 Ca 0.42 -1.73 -0.01 0.00 -1.05 0.00 0.00 58.31 55.94 1rhx n LYS 84 Cb 0.48 -0.03 0.05 0.00 -0.65 0.00 0.00 35.03 34.88 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 -1.11 -0.80 -3.28 5.58 -1.74 -1.24 -4.76 117.46 110.11 1rhx n PHE 85 Ca -0.13 -0.68 -0.11 0.00 -0.56 0.00 0.00 57.45 55.97 1rhx n PHE 85 Cb 0.85 0.93 0.02 0.00 1.52 0.00 0.00 39.48 42.80 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 -0.60 0.00 -0.29 1.97 2.08 -1.19 -4.33 119.36 116.99 1rhx n ILE 86 Ca -0.08 -1.02 0.00 0.00 0.56 0.00 0.00 62.75 62.21 1rhx n ILE 86 Cb 0.64 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 1rhx n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72