#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhf s ALA 8 N 0.00 2.42 0.44 4.61 0.00 -1.26 -5.12 121.76 122.84 1rhf s ALA 8 Ca 0.00 -2.91 -0.23 0.00 0.00 0.00 0.00 51.96 48.82 1rhf s ALA 8 Cb 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 1rhf s ALA 8 CO 0.00 -2.05 1.12 -1.25 0.00 0.00 0.00 175.76 173.58 1rhf s PRO 9 N -0.25 3.89 0.31 0.00 0.04 -1.26 -4.74 135.00 132.98 1rhf s PRO 9 Ca 0.24 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 1rhf s PRO 9 Cb -0.11 -2.43 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1rhf s PRO 9 CO -0.10 -0.42 0.78 0.14 0.04 0.00 0.00 177.00 177.44 1rhf s VAL 10 N -1.60 4.57 -0.20 -0.36 -7.23 -0.64 -4.92 120.40 110.01 1rhf s VAL 10 Ca 0.62 1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 61.96 1rhf s VAL 10 Cb -0.26 -3.71 0.01 0.00 0.56 0.00 0.00 36.38 32.98 1rhf s VAL 10 CO 0.32 -0.07 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.38 1rhf s LYS 11 N -2.65 3.15 -0.17 4.82 1.02 -1.26 -0.38 119.74 124.26 1rhf s LYS 11 Ca 0.52 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.75 1rhf s LYS 11 Cb -0.12 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 1rhf s LYS 11 CO 0.18 -0.22 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.12 1rhf s LEU 12 N 1.38 2.67 -0.18 3.17 2.96 -0.46 -4.95 118.68 123.26 1rhf s LEU 12 Ca 0.05 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1rhf s LEU 12 Cb -0.14 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 1rhf s LEU 12 CO -0.08 0.07 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.02 1rhf s THR 13 N 0.94 3.00 0.06 3.68 2.01 -1.26 -0.92 115.64 123.14 1rhf s THR 13 Ca -0.02 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1rhf s THR 13 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1rhf s THR 13 CO -0.01 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.53 1rhf s VAL 14 N 1.07 1.43 0.27 3.82 1.01 -0.56 -5.00 120.40 122.43 1rhf s VAL 14 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 61.98 60.45 1rhf s VAL 14 Cb -0.15 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1rhf s VAL 14 CO -0.02 -0.00 0.91 -0.44 0.00 0.00 0.00 175.10 175.55 1rhf s SER 15 N -1.47 7.47 0.13 3.32 0.01 -1.26 -0.56 113.70 121.33 1rhf s SER 15 Ca 0.04 1.84 -0.34 0.00 1.31 0.00 0.00 55.95 58.80 1rhf s SER 15 Cb -0.09 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.40 1rhf s SER 15 CO 0.02 0.07 1.14 1.67 0.41 0.00 0.00 173.24 176.55 1rhf n GLN 16 N 1.08 0.90 0.00 12.44 7.27 0.17 -2.16 117.38 137.08 1rhf n GLN 16 Ca -0.01 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.38 1rhf n GLN 16 Cb 0.49 -1.81 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1rhf n GLN 16 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rhf n GLY 17 N 2.04 1.75 3.84 1.69 0.00 0.73 -4.91 105.19 110.33 1rhf n GLY 17 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1rhf n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rhf s GLN 18 N -0.44 4.03 0.67 1.61 -1.52 -0.92 -4.46 119.66 118.63 1rhf s GLN 18 Ca 0.00 0.63 -0.13 0.00 -1.95 0.00 0.00 55.36 53.90 1rhf s GLN 18 Cb 0.00 -2.66 -0.00 0.00 -0.22 0.00 0.00 33.01 30.13 1rhf s GLN 18 CO 0.00 0.29 1.07 -1.25 -0.25 0.00 0.00 175.29 175.16 1rhf s PRO 19 N -2.54 2.93 0.04 2.91 0.04 -1.23 -1.38 135.00 135.76 1rhf s PRO 19 Ca 0.48 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 1rhf s PRO 19 Cb -0.13 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1rhf s PRO 19 CO 0.19 -1.12 0.37 0.54 0.04 0.00 0.00 177.00 177.02 1rhf s VAL 20 N -2.68 0.06 -0.06 -0.36 0.11 -0.51 -4.92 120.40 112.04 1rhf s VAL 20 Ca 0.62 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1rhf s VAL 20 Cb -0.16 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1rhf s VAL 20 CO 0.46 -0.29 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.27 1rhf s LYS 21 N -2.38 1.76 0.12 1.54 1.02 -1.26 -0.58 119.74 119.96 1rhf s LYS 21 Ca -0.06 -0.46 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1rhf s LYS 21 Cb -0.01 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 1rhf s LYS 21 CO -0.02 0.07 0.11 -0.51 -0.92 0.00 0.00 175.35 174.08 1rhf s LEU 22 N 0.54 3.83 0.05 3.17 1.43 0.52 -4.94 118.68 123.29 1rhf s LEU 22 Ca -0.13 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1rhf s LEU 22 Cb -0.15 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1rhf s LEU 22 CO 0.04 0.12 -0.09 0.54 0.23 0.00 0.00 176.35 177.19 1rhf s ASN 23 N -2.74 1.01 0.09 2.29 2.20 -1.26 -0.89 114.94 115.64 1rhf s ASN 23 Ca 0.30 -0.61 0.00 0.00 -0.94 0.00 0.00 52.86 51.61 1rhf s ASN 23 Cb -0.11 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.13 1rhf s ASN 23 CO 0.23 -0.22 -0.03 0.00 -2.94 0.00 0.00 177.10 174.14 1rhf s SER 25 N -3.01 2.49 -0.11 0.00 0.01 -1.26 -1.26 113.70 110.57 1rhf s SER 25 Ca 0.12 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1rhf s SER 25 Cb 0.07 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.58 1rhf s SER 25 CO -0.05 0.18 -0.10 -0.69 0.41 0.00 0.00 173.24 172.99 1rhf s VAL 26 N 0.02 1.16 0.01 3.43 1.01 0.26 -1.07 120.40 125.22 1rhf s VAL 26 Ca -0.05 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1rhf s VAL 26 Cb -0.13 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1rhf s VAL 26 CO 0.03 0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 173.84 1rhf s GLU 27 N 1.45 0.48 0.00 2.72 2.02 -0.26 -0.26 118.70 124.85 1rhf s GLU 27 Ca 0.01 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1rhf s GLU 27 Cb -0.13 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.70 1rhf s GLU 27 CO -0.06 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.73 1rhf n GLY 28 N 2.45 0.57 3.10 -1.39 0.00 -0.01 -0.71 105.19 109.21 1rhf n GLY 28 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1rhf n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rhf s GLU 30 N 0.86 2.26 -1.15 1.61 2.02 -1.26 -4.61 118.70 118.44 1rhf s GLU 30 Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.32 1rhf s GLU 30 Cb 0.00 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 1rhf s GLU 30 CO 0.00 0.08 0.88 0.39 0.02 0.00 0.00 175.26 176.63 1rhf n GLU 31 N 3.72 -3.58 -2.39 1.61 1.02 -1.26 -4.97 120.64 114.79 1rhf n GLU 31 Ca -0.21 0.75 -0.37 0.00 -0.02 0.00 0.00 57.16 57.31 1rhf n GLU 31 Cb 0.52 -5.45 -0.02 0.00 -0.02 0.00 0.00 31.44 26.47 1rhf n GLU 31 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1rhf s PRO 32 N -5.16 3.93 -0.81 3.49 0.04 -1.26 -4.97 135.00 130.27 1rhf s PRO 32 Ca 0.27 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 1rhf s PRO 32 Cb -0.05 -2.45 0.13 0.00 0.04 0.00 0.00 34.50 32.18 1rhf s PRO 32 CO 0.77 -0.37 0.95 0.34 0.04 0.00 0.00 177.00 178.73 1rhf s ASP 33 N -1.48 6.51 0.05 6.66 2.15 -1.26 -5.04 116.67 124.26 1rhf s ASP 33 Ca 0.61 -1.92 -0.18 0.00 0.43 0.00 0.00 52.55 51.50 1rhf s ASP 33 Cb -0.25 -2.34 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 1rhf s ASP 33 CO 0.31 -1.02 0.51 -0.63 -0.17 0.00 0.00 175.17 174.17 1rhf s ILE 34 N 2.36 4.84 -0.03 4.11 1.01 -1.26 -3.64 121.20 128.59 1rhf s ILE 34 Ca 0.24 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 1rhf s ILE 34 Cb -0.11 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1rhf s ILE 34 CO -0.04 0.55 0.07 -1.10 0.00 0.00 0.00 174.94 174.42 1rhf s GLN 35 N -1.13 0.06 0.27 2.79 -0.21 -0.45 -4.99 119.66 116.00 1rhf s GLN 35 Ca 0.28 0.13 -0.28 0.00 0.02 0.00 0.00 55.36 55.51 1rhf s GLN 35 Cb -0.18 -0.03 -0.09 0.00 1.00 0.00 0.00 33.01 33.71 1rhf s GLN 35 CO 0.17 -0.05 0.94 -1.58 -2.12 0.00 0.00 175.29 172.65 1rhf s TRP 36 N 0.30 3.86 -0.01 0.91 0.52 -1.26 -1.15 118.94 122.11 1rhf s TRP 36 Ca -0.02 1.85 0.04 0.00 0.02 0.00 0.00 56.10 57.99 1rhf s TRP 36 Cb -0.03 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 1rhf s TRP 36 CO -0.01 0.35 -0.14 0.08 0.02 0.00 0.00 176.95 177.26 1rhf s VAL 37 N -1.37 1.06 -0.13 4.03 1.01 0.33 -0.81 120.40 124.53 1rhf s VAL 37 Ca 0.45 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1rhf s VAL 37 Cb -0.23 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1rhf s VAL 37 CO 0.28 0.28 -0.14 -0.75 0.00 0.00 0.00 175.10 174.77 1rhf s LYS 38 N -0.37 2.25 -1.59 2.72 2.20 0.30 -1.45 119.74 123.79 1rhf s LYS 38 Ca 0.05 -0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 54.94 1rhf s LYS 38 Cb -0.05 -2.00 0.15 0.00 -1.51 0.00 0.00 37.83 34.42 1rhf s LYS 38 CO -0.00 -0.16 0.69 -0.25 -0.36 0.00 0.00 175.35 175.27 1rhf n ASP 39 N 4.53 -3.16 0.00 1.43 8.00 0.58 -1.21 116.55 126.72 1rhf n ASP 39 Ca -0.18 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1rhf n ASP 39 Cb 0.51 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 1rhf n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rhf n GLY 40 N -1.28 0.77 3.47 0.44 0.00 -1.26 -5.04 105.19 102.29 1rhf n GLY 40 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1rhf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhf s ALA 41 N -2.86 2.75 0.25 4.61 0.00 -0.35 -5.09 121.76 121.07 1rhf s ALA 41 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 1rhf s ALA 41 Cb 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 23.12 21.85 1rhf s ALA 41 CO 0.00 0.43 1.56 0.08 0.00 0.00 0.00 175.76 177.83 1rhf s VAL 42 N -0.31 2.33 0.28 0.00 1.01 -1.26 -0.54 120.40 121.92 1rhf s VAL 42 Ca 0.03 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1rhf s VAL 42 Cb -0.13 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 1rhf s VAL 42 CO 0.03 0.04 1.09 -0.69 0.00 0.00 0.00 175.10 175.56 1rhf s VAL 43 N 0.35 3.51 0.05 2.92 1.01 0.01 -4.84 120.40 123.41 1rhf s VAL 43 Ca 0.65 1.52 0.03 0.00 0.00 0.00 0.00 61.98 64.18 1rhf s VAL 43 Cb -0.46 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1rhf s VAL 43 CO 0.41 0.36 -0.10 -1.10 0.00 0.00 0.00 175.10 174.67 1rhf s GLN 44 N -1.46 0.65 -0.76 2.72 -0.21 -1.26 -4.89 119.66 114.44 1rhf s GLN 44 Ca 0.45 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 1rhf s GLN 44 Cb -0.32 -0.52 0.00 0.00 1.00 0.00 0.00 33.01 33.18 1rhf s GLN 44 CO 0.40 0.11 0.10 0.09 -2.12 0.00 0.00 175.29 173.87 1rhf n ASN 45 N 1.44 -3.35 -4.04 5.90 3.02 -1.26 -5.03 115.26 111.95 1rhf n ASN 45 Ca -0.22 -0.05 -0.15 0.00 -0.03 0.00 0.00 54.58 54.12 1rhf n ASN 45 Cb 0.54 -2.49 -0.13 0.00 -0.61 0.00 0.00 39.78 37.10 1rhf n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rhf s LEU 46 N -2.90 2.14 0.05 3.41 1.43 -1.26 -5.10 118.68 116.45 1rhf s LEU 46 Ca 0.05 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1rhf s LEU 46 Cb -0.02 -0.29 -0.08 0.00 0.03 0.00 0.00 46.19 45.83 1rhf s LEU 46 CO 0.06 -0.05 1.72 -1.81 0.23 0.00 0.00 176.35 176.49 1rhf s ASP 47 N -0.92 6.57 -0.05 2.29 1.01 -1.24 -4.94 116.67 119.39 1rhf s ASP 47 Ca -0.03 2.50 0.06 0.00 0.71 0.00 0.00 52.55 55.79 1rhf s ASP 47 Cb -0.06 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1rhf s ASP 47 CO 0.00 -0.93 -0.24 -1.10 0.21 0.00 0.00 175.17 173.11 1rhf s GLN 48 N 3.14 2.31 -0.03 8.23 -0.21 -1.26 -1.44 119.66 130.41 1rhf s GLN 48 Ca 0.77 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 55.30 1rhf s GLN 48 Cb -0.40 -2.02 0.02 0.00 1.00 0.00 0.00 33.01 31.60 1rhf s GLN 48 CO 0.33 0.40 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.70 1rhf s LEU 49 N -0.24 1.50 -0.21 2.90 2.96 -0.21 -5.00 118.68 120.38 1rhf s LEU 49 Ca -0.00 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1rhf s LEU 49 Cb -0.12 -0.31 0.05 0.00 0.50 0.00 0.00 46.19 46.31 1rhf s LEU 49 CO 0.02 -0.03 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.64 1rhf s TYR 50 N 0.61 2.33 0.12 5.38 1.51 -1.26 -0.31 117.35 125.71 1rhf s TYR 50 Ca -0.07 -1.61 0.09 0.00 -1.01 0.00 0.00 57.07 54.46 1rhf s TYR 50 Cb -0.10 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1rhf s TYR 50 CO -0.01 -0.74 -0.22 0.96 -1.11 0.00 0.00 175.55 174.43 1rhf s ILE 51 N 1.42 1.85 -0.17 2.71 -4.36 -0.36 -4.98 121.20 117.31 1rhf s ILE 51 Ca -0.03 -1.63 -0.17 0.00 -0.26 0.00 0.00 60.65 58.56 1rhf s ILE 51 Cb -0.17 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1rhf s ILE 51 CO -0.07 -0.06 0.42 -2.16 0.24 0.00 0.00 174.94 173.31 1rhf s PRO 52 N -2.04 4.24 -0.13 0.37 0.04 -1.26 -0.83 135.00 135.39 1rhf s PRO 52 Ca 0.09 0.29 -0.11 0.00 0.04 0.00 0.00 61.00 61.30 1rhf s PRO 52 Cb -0.10 -3.49 -0.25 0.00 0.04 0.00 0.00 34.50 30.70 1rhf s PRO 52 CO 0.05 0.06 0.39 -0.24 0.04 0.00 0.00 177.00 177.29 1rhf h VAL 53 N 4.89 0.76 -4.31 -0.36 3.04 -1.34 -3.49 116.25 115.44 1rhf h VAL 53 Ca -0.38 -2.33 -0.39 0.00 -1.01 0.00 0.00 66.70 62.59 1rhf h VAL 53 Cb 1.17 2.50 -0.09 0.00 -2.01 0.00 0.00 31.29 32.86 1rhf h VAL 53 CO 0.74 0.75 -0.33 -1.20 -1.01 0.00 0.00 177.57 176.52 1rhf n SER 54 N -3.74 1.02 -4.73 3.17 7.64 -1.09 -5.02 113.62 110.85 1rhf n SER 54 Ca -0.30 -2.54 -0.41 0.00 1.01 0.00 0.00 58.87 56.62 1rhf n SER 54 Cb 0.96 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.89 1rhf n SER 54 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1rhf s GLU 55 N -3.09 4.41 -0.04 1.43 2.56 -1.26 -3.05 118.70 119.67 1rhf s GLU 55 Ca 0.16 1.99 0.00 0.00 0.00 0.00 0.00 54.97 57.11 1rhf s GLU 55 Cb 0.01 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.91 1rhf s GLU 55 CO 0.11 -0.23 0.00 1.04 -0.56 0.00 0.00 175.26 175.63 1rhf n GLN 56 N 2.82 -1.20 -3.83 4.30 6.02 -1.26 -4.95 117.38 119.28 1rhf n GLN 56 Ca 0.06 0.32 -0.29 0.00 -0.01 0.00 0.00 57.00 57.08 1rhf n GLN 56 Cb 0.43 -4.23 -0.16 0.00 1.02 0.00 0.00 30.24 27.30 1rhf n GLN 56 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1rhf s HIS 57 N -1.43 1.80 0.11 1.08 2.46 -1.17 -0.83 115.29 117.32 1rhf s HIS 57 Ca 0.00 -1.46 0.10 0.00 0.47 0.00 0.00 55.06 54.17 1rhf s HIS 57 Cb 0.00 -1.44 -0.04 0.00 -0.13 0.00 0.00 32.58 30.97 1rhf s HIS 57 CO 0.00 -0.74 -0.25 -1.58 -2.47 0.00 0.00 174.74 169.70 1rhf s TRP 58 N 1.59 2.36 -0.09 3.88 0.52 0.64 -0.82 118.94 127.03 1rhf s TRP 58 Ca -0.01 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.80 1rhf s TRP 58 Cb -0.18 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1rhf s TRP 58 CO -0.10 0.32 -0.23 0.42 0.02 0.00 0.00 176.95 177.38 1rhf s ILE 59 N -1.04 2.21 0.05 2.03 1.01 -0.01 -0.58 121.20 124.88 1rhf s ILE 59 Ca 0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1rhf s ILE 59 Cb -0.10 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 1rhf s ILE 59 CO 0.06 0.56 0.27 -0.83 0.00 0.00 0.00 174.94 175.00 1rhf s GLY 60 N 0.14 2.22 -0.04 6.18 0.00 -0.39 -1.22 107.32 114.21 1rhf s GLY 60 Ca -0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 1rhf s GLY 60 CO 0.07 -0.57 0.03 -1.36 0.00 0.00 0.00 173.10 171.27 1rhf s PHE 61 N -1.45 0.26 -0.18 1.90 0.40 0.57 -0.94 117.98 118.54 1rhf s PHE 61 Ca 0.33 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.76 1rhf s PHE 61 Cb -0.13 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.90 1rhf s PHE 61 CO 0.22 -0.20 -0.19 -1.17 0.70 0.00 0.00 175.22 174.58 1rhf s LEU 62 N 1.79 2.17 -0.13 -0.37 2.96 -0.06 -1.04 118.68 124.00 1rhf s LEU 62 Ca 0.01 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 1rhf s LEU 62 Cb -0.12 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1rhf s LEU 62 CO -0.03 -0.02 0.13 -0.44 -1.32 0.00 0.00 176.35 174.66 1rhf s SER 63 N 1.30 6.30 -0.11 3.68 0.01 -0.52 -0.35 113.70 124.01 1rhf s SER 63 Ca 0.04 0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.75 1rhf s SER 63 Cb -0.14 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1rhf s SER 63 CO -0.12 0.39 -0.16 -0.76 0.41 0.00 0.00 173.24 172.99 1rhf s LEU 64 N -0.89 1.77 0.20 2.44 1.02 0.26 -3.72 118.68 119.75 1rhf s LEU 64 Ca 0.14 -0.44 0.04 0.00 0.02 0.00 0.00 54.13 53.89 1rhf s LEU 64 Cb -0.12 -1.12 0.13 0.00 0.02 0.00 0.00 46.19 45.11 1rhf s LEU 64 CO 0.03 0.03 1.48 0.11 0.02 0.00 0.00 176.35 178.02 1rhf h LYS 65 N 7.32 0.20 -0.59 1.70 1.57 -1.89 -1.34 116.57 123.54 1rhf h LYS 65 Ca -0.30 -0.18 0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1rhf h LYS 65 Cb 1.18 0.04 -0.19 0.00 0.08 0.00 0.00 32.23 33.34 1rhf h LYS 65 CO 0.49 0.85 -0.20 0.45 -0.57 0.00 0.00 179.45 180.47 1rhf s SER 66 N -6.91 -0.95 0.28 0.86 0.15 -1.26 -3.47 113.70 102.41 1rhf s SER 66 Ca -0.03 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 1rhf s SER 66 Cb 0.11 1.50 -0.10 0.00 -1.71 0.00 0.00 66.02 65.82 1rhf s SER 66 CO 0.81 -0.16 1.17 0.68 1.20 0.00 0.00 173.24 176.94 1rhf s VAL 67 N 2.65 3.28 0.48 4.45 -7.23 -0.48 -4.63 120.40 118.92 1rhf s VAL 67 Ca 0.19 1.27 0.02 0.00 -1.81 0.00 0.00 61.98 61.64 1rhf s VAL 67 Cb -0.04 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1rhf s VAL 67 CO -0.21 0.29 0.04 -1.61 -0.31 0.00 0.00 175.10 173.30 1rhf s GLU 68 N -1.41 2.13 0.31 4.82 0.41 -1.26 -0.20 118.70 123.50 1rhf s GLU 68 Ca 0.47 -2.35 0.01 0.00 -0.41 0.00 0.00 54.97 52.69 1rhf s GLU 68 Cb -0.34 -1.26 0.55 0.00 -1.78 0.00 0.00 34.13 31.29 1rhf s GLU 68 CO 0.44 -0.40 1.93 0.00 -0.49 0.00 0.00 175.26 176.73 1rhf h ARG 69 N 1.47 0.98 0.00 1.61 3.08 -1.96 -1.66 114.38 117.89 1rhf h ARG 69 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1rhf h ARG 69 Cb 1.30 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1rhf h ARG 69 CO 0.69 0.65 0.00 0.66 -1.07 0.00 0.00 179.97 180.89 1rhf h SER 70 N 1.01 0.00 1.32 7.04 4.64 -1.99 -2.00 113.55 123.56 1rhf h SER 70 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1rhf h SER 70 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1rhf h SER 70 CO -0.13 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.27 1rhf h ASP 71 N 0.00 0.00 -3.77 4.97 3.45 -1.70 -3.45 116.42 115.92 1rhf h ASP 71 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1rhf h ASP 71 Cb 0.35 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 39.19 1rhf h ASP 71 CO 0.00 0.00 0.70 0.00 -1.57 0.00 0.00 179.24 178.37 1rhf s ALA 72 N -3.16 3.55 0.00 3.45 0.00 -0.75 -4.93 121.76 119.91 1rhf s ALA 72 Ca 0.09 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1rhf s ALA 72 Cb 0.11 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1rhf s ALA 72 CO 0.55 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1rhf n GLY 73 N 1.07 -1.82 3.56 0.00 0.00 -0.58 -5.01 105.19 102.42 1rhf n GLY 73 Ca 0.02 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 1rhf n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rhf s ARG 74 N -1.69 3.73 0.01 1.61 0.52 -1.26 -0.52 118.95 121.35 1rhf s ARG 74 Ca 0.00 -0.38 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1rhf s ARG 74 Cb 0.00 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 1rhf s ARG 74 CO 0.00 -0.35 -0.18 0.71 0.02 0.00 0.00 175.30 175.49 1rhf s TYR 75 N 1.86 2.56 0.29 -0.53 1.51 -0.09 -0.31 117.35 122.63 1rhf s TYR 75 Ca 0.09 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 55.73 1rhf s TYR 75 Cb -0.16 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.20 1rhf s TYR 75 CO 0.11 0.20 0.63 1.67 -1.11 0.00 0.00 175.55 177.05 1rhf s TRP 76 N -0.84 0.13 -0.11 2.71 -2.14 -0.53 -1.21 118.94 116.95 1rhf s TRP 76 Ca 0.13 -0.58 -0.04 0.00 2.66 0.00 0.00 56.10 58.27 1rhf s TRP 76 Cb -0.10 0.50 -0.04 0.00 -3.10 0.00 0.00 33.47 30.73 1rhf s TRP 76 CO 0.03 -1.21 0.06 0.00 -2.66 0.00 0.00 176.95 173.18 1rhf s GLN 78 N -0.80 1.18 -0.01 0.00 -2.07 -0.30 -4.97 119.66 112.68 1rhf s GLN 78 Ca 0.13 -1.25 0.05 0.00 -1.82 0.00 0.00 55.36 52.47 1rhf s GLN 78 Cb -0.12 -1.37 -0.01 0.00 -1.09 0.00 0.00 33.01 30.42 1rhf s GLN 78 CO 0.03 0.31 -0.16 0.14 -1.32 0.00 0.00 175.29 174.28 1rhf s VAL 79 N -1.47 1.26 0.31 3.63 -7.23 -1.26 -1.34 120.40 114.30 1rhf s VAL 79 Ca 0.10 -0.68 -0.28 0.00 -1.81 0.00 0.00 61.98 59.31 1rhf s VAL 79 Cb -0.09 -1.05 -0.09 0.00 0.56 0.00 0.00 36.38 35.71 1rhf s VAL 79 CO 0.05 0.36 1.05 -0.70 -0.31 0.00 0.00 175.10 175.55 1rhf s GLU 80 N -0.33 4.54 0.18 4.82 2.12 -1.24 -4.04 118.70 124.75 1rhf s GLU 80 Ca 0.05 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.04 1rhf s GLU 80 Cb -0.07 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.32 1rhf s GLU 80 CO -0.00 0.16 0.00 -3.47 -0.54 0.00 0.00 175.26 171.41 1rhf n ASP 81 N 0.85 0.00 0.00 -1.70 -0.08 -1.26 -4.80 116.55 109.57 1rhf n ASP 81 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1rhf n ASP 81 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1rhf n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rhf n GLY 82 N 0.00 2.06 7.00 0.27 0.00 -1.26 -4.93 105.19 108.33 1rhf n GLY 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rhf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhf n GLY 83 N 0.00 3.09 0.00 -0.02 0.00 -1.26 -2.55 105.19 104.45 1rhf n GLY 83 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1rhf n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rhf n GLU 84 N 13.13 0.98 -1.69 1.61 -0.58 -1.26 -4.86 120.64 127.98 1rhf n GLU 84 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1rhf n GLU 84 Cb 0.00 -1.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 1rhf n GLU 84 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1rhf n THR 85 N -0.65 0.42 -2.80 2.62 -1.04 -1.06 -4.88 114.28 106.89 1rhf n THR 85 Ca 0.07 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1rhf n THR 85 Cb 0.03 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.36 1rhf n THR 85 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1rhf s GLU 86 N 2.95 4.33 -0.07 -2.82 2.02 0.11 -4.92 118.70 120.30 1rhf s GLU 86 Ca 0.83 1.17 0.05 0.00 0.02 0.00 0.00 54.97 57.04 1rhf s GLU 86 Cb -0.48 -3.57 -0.01 0.00 0.10 0.00 0.00 34.13 30.17 1rhf s GLU 86 CO 0.38 -0.37 -0.24 0.42 0.02 0.00 0.00 175.26 175.48 1rhf s ILE 87 N 2.25 2.12 0.48 -1.63 1.01 -1.26 -1.10 121.20 123.07 1rhf s ILE 87 Ca 0.42 -1.03 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 1rhf s ILE 87 Cb -0.17 -1.78 -0.15 0.00 0.01 0.00 0.00 42.46 40.37 1rhf s ILE 87 CO 0.13 0.57 -0.09 -1.20 0.00 0.00 0.00 174.94 174.35 1rhf n SER 88 N 3.12 -3.49 -4.76 3.58 7.64 -0.23 -4.96 113.62 114.52 1rhf n SER 88 Ca -0.18 0.67 -0.34 0.00 1.01 0.00 0.00 58.87 60.04 1rhf n SER 88 Cb 0.52 -0.84 0.05 0.00 -1.01 0.00 0.00 64.21 62.93 1rhf n SER 88 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1rhf s GLN 89 N -0.98 2.79 0.64 1.43 -1.52 -1.26 -4.79 119.66 115.97 1rhf s GLN 89 Ca 0.56 1.50 -0.18 0.00 -1.95 0.00 0.00 55.36 55.29 1rhf s GLN 89 Cb -0.51 -1.94 -0.02 0.00 -0.22 0.00 0.00 33.01 30.32 1rhf s GLN 89 CO 0.65 -1.27 1.24 -2.30 -0.25 0.00 0.00 175.29 173.36 1rhf n PRO 90 N -2.25 1.08 -4.21 2.91 -0.02 -1.26 -4.76 135.00 126.49 1rhf n PRO 90 Ca 0.11 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 1rhf n PRO 90 Cb 0.51 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 1rhf n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rhf s VAL 91 N -1.40 4.34 -0.53 -1.45 0.11 -0.35 -1.63 120.40 119.50 1rhf s VAL 91 Ca 0.82 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.48 1rhf s VAL 91 Cb -0.39 -2.93 0.07 0.00 -1.53 0.00 0.00 36.38 31.60 1rhf s VAL 91 CO 0.41 0.48 0.67 0.26 -3.33 0.00 0.00 175.10 173.59 1rhf s TRP 92 N 0.33 3.01 -0.19 1.54 0.52 0.49 -0.91 118.94 123.73 1rhf s TRP 92 Ca -0.00 -0.58 -0.26 0.00 0.02 0.00 0.00 56.10 55.27 1rhf s TRP 92 Cb -0.13 -3.68 -0.01 0.00 -1.15 0.00 0.00 33.47 28.50 1rhf s TRP 92 CO 0.02 -1.12 0.89 -1.17 0.02 0.00 0.00 176.95 175.58 1rhf s LEU 93 N 2.77 4.14 -0.09 2.99 2.96 0.32 -1.35 118.68 130.42 1rhf s LEU 93 Ca 0.16 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1rhf s LEU 93 Cb -0.20 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1rhf s LEU 93 CO 0.11 -0.48 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.64 1rhf s THR 94 N 2.50 3.10 -0.26 3.68 2.01 -0.10 -1.52 115.64 125.05 1rhf s THR 94 Ca 0.39 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1rhf s THR 94 Cb -0.16 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.10 1rhf s THR 94 CO 0.10 0.56 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.90 1rhf s VAL 95 N -0.17 3.41 0.13 3.82 1.01 -1.26 -1.50 120.40 125.85 1rhf s VAL 95 Ca -0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1rhf s VAL 95 Cb -0.13 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1rhf s VAL 95 CO 0.03 0.20 0.31 -1.61 0.00 0.00 0.00 175.10 174.03 1rhf s GLU 96 N 1.43 3.51 0.00 2.72 2.02 0.28 -4.47 118.70 124.19 1rhf s GLU 96 Ca 0.02 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1rhf s GLU 96 Cb -0.16 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1rhf s GLU 96 CO -0.01 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1rhf n GLY 97 N -0.10 -0.94 3.71 -1.39 0.00 -0.76 -0.65 105.19 105.05 1rhf n GLY 97 Ca -0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1rhf n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rhf s VAL 98 N -3.00 2.74 0.61 1.61 -7.23 -1.26 -4.07 120.40 109.80 1rhf s VAL 98 Ca 0.00 0.24 -0.19 0.00 -1.81 0.00 0.00 61.98 60.22 1rhf s VAL 98 Cb 0.00 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1rhf s VAL 98 CO 0.00 -0.31 1.29 -2.84 -0.31 0.00 0.00 175.10 172.93 1rhf s PRO 99 N -4.86 2.80 -0.12 4.82 0.02 -1.26 -4.89 135.00 131.51 1rhf s PRO 99 Ca 0.63 2.06 -0.00 0.00 0.02 0.00 0.00 61.00 63.71 1rhf s PRO 99 Cb -0.19 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 1rhf s PRO 99 CO 0.57 -1.41 -0.10 0.12 -0.33 0.00 0.00 177.00 175.85 1rhf s PHE 100 N -1.41 2.86 -0.42 6.54 5.36 0.04 -4.65 117.98 126.30 1rhf s PHE 100 Ca 0.79 -0.42 -0.26 0.00 -0.96 0.00 0.00 56.93 56.07 1rhf s PHE 100 Cb -0.37 -1.83 0.02 0.00 -0.34 0.00 0.00 43.02 40.51 1rhf s PHE 100 CO 0.40 -0.06 0.96 -0.06 -1.46 0.00 0.00 175.22 175.01 1rhf s PHE 101 N 0.08 2.98 0.05 10.12 0.40 -1.26 -1.13 117.98 129.22 1rhf s PHE 101 Ca -0.04 0.62 0.09 0.00 -0.60 0.00 0.00 56.93 57.00 1rhf s PHE 101 Cb -0.14 -3.90 -0.12 0.00 0.51 0.00 0.00 43.02 39.37 1rhf s PHE 101 CO 0.04 -1.00 1.33 1.79 0.70 0.00 0.00 175.22 178.08 1rhf h THR 102 N 5.98 1.49 -3.39 0.64 1.35 -1.58 -3.43 112.91 113.97 1rhf h THR 102 Ca -0.23 -3.07 -0.58 0.00 -0.55 0.00 0.00 66.41 61.98 1rhf h THR 102 Cb 1.07 2.72 -0.38 0.00 -1.73 0.00 0.00 68.15 69.83 1rhf h THR 102 CO 1.02 0.84 -0.79 -0.69 -0.25 0.00 0.00 175.52 175.65 1rhf s VAL 103 N -2.80 1.27 0.37 6.82 1.01 -0.83 -4.94 120.40 121.30 1rhf s VAL 103 Ca 0.02 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1rhf s VAL 103 Cb 0.09 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1rhf s VAL 103 CO 0.80 0.09 0.77 -1.61 0.00 0.00 0.00 175.10 175.15 1rhf s GLU 104 N 1.55 3.91 0.37 2.72 0.41 -1.26 -1.34 118.70 125.06 1rhf s GLU 104 Ca -0.01 0.61 -0.27 0.00 -0.41 0.00 0.00 54.97 54.89 1rhf s GLU 104 Cb -0.16 -2.40 -0.09 0.00 -1.78 0.00 0.00 34.13 29.70 1rhf s GLU 104 CO -0.08 0.05 1.24 -1.25 -0.49 0.00 0.00 175.26 174.74 1rhf s PRO 105 N -3.40 4.17 0.00 0.39 0.04 -1.17 -4.74 135.00 130.29 1rhf s PRO 105 Ca 0.53 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 1rhf s PRO 105 Cb -0.10 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1rhf s PRO 105 CO 0.24 -0.28 0.23 0.15 0.04 0.00 0.00 177.00 177.38 1rhf s LYS 106 N -2.05 3.51 0.31 4.56 1.02 -1.26 -4.50 119.74 121.32 1rhf s LYS 106 Ca 0.53 -0.19 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 1rhf s LYS 106 Cb -0.35 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 1rhf s LYS 106 CO 0.46 0.66 1.16 -0.51 -0.92 0.00 0.00 175.35 176.19 1rhf s ASP 107 N -1.83 7.07 0.12 2.83 1.01 -1.26 -4.63 116.67 119.97 1rhf s ASP 107 Ca 0.28 2.38 0.06 0.00 0.71 0.00 0.00 52.55 55.98 1rhf s ASP 107 Cb -0.13 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1rhf s ASP 107 CO 0.17 -0.29 -0.15 -0.76 0.21 0.00 0.00 175.17 174.35 1rhf s LEU 108 N -1.65 2.37 -0.20 1.23 1.43 -0.91 -4.97 118.68 115.98 1rhf s LEU 108 Ca 0.47 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1rhf s LEU 108 Cb -0.34 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 1rhf s LEU 108 CO 0.44 -0.10 -0.07 0.00 0.23 0.00 0.00 176.35 176.85 1rhf s ALA 109 N -1.86 2.75 0.18 4.21 0.00 -1.26 -0.71 121.76 125.08 1rhf s ALA 109 Ca 0.07 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1rhf s ALA 109 Cb -0.06 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1rhf s ALA 109 CO 0.03 -0.25 -0.14 0.14 0.00 0.00 0.00 175.76 175.54 1rhf s VAL 110 N 1.17 1.61 0.72 0.00 -7.23 -0.47 -4.75 120.40 111.45 1rhf s VAL 110 Ca 0.02 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 1rhf s VAL 110 Cb -0.14 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.90 1rhf s VAL 110 CO -0.02 -0.56 1.08 -2.16 -0.31 0.00 0.00 175.10 173.14 1rhf s PRO 111 N -3.41 2.73 0.52 4.82 0.05 -1.26 -0.85 135.00 137.60 1rhf s PRO 111 Ca 0.19 0.63 -0.22 0.00 0.05 0.00 0.00 61.00 61.65 1rhf s PRO 111 Cb -0.02 -1.99 -0.06 0.00 0.05 0.00 0.00 34.50 32.49 1rhf s PRO 111 CO 0.05 -1.17 1.31 -1.25 0.05 0.00 0.00 177.00 176.00 1rhf s PRO 112 N -5.22 3.34 -1.24 0.56 0.04 -1.26 -2.89 135.00 128.32 1rhf s PRO 112 Ca 0.59 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1rhf s PRO 112 Cb -0.13 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1rhf s PRO 112 CO 0.53 -0.99 0.00 0.09 0.04 0.00 0.00 177.00 176.67 1rhf n ASN 113 N -0.83 -3.81 -4.78 6.66 4.13 -0.76 -4.93 115.26 110.93 1rhf n ASN 113 Ca 0.09 0.24 -0.36 0.00 1.68 0.00 0.00 54.58 56.24 1rhf n ASN 113 Cb 0.46 -3.36 -0.07 0.00 -1.54 0.00 0.00 39.78 35.26 1rhf n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rhf s ALA 114 N -2.41 3.72 0.62 5.41 0.00 -1.14 -4.76 121.76 123.20 1rhf s ALA 114 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1rhf s ALA 114 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1rhf s ALA 114 CO 0.00 0.39 1.15 -1.25 0.00 0.00 0.00 175.76 176.05 1rhf s PRO 115 N -0.34 2.90 0.27 0.00 0.04 -0.75 -3.79 135.00 133.34 1rhf s PRO 115 Ca 0.11 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1rhf s PRO 115 Cb -0.12 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1rhf s PRO 115 CO 0.01 -1.21 0.65 -0.59 0.04 0.00 0.00 177.00 175.90 1rhf s PHE 116 N -2.00 -0.04 -0.04 0.56 -0.12 0.11 -4.95 117.98 111.51 1rhf s PHE 116 Ca 0.71 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 1rhf s PHE 116 Cb -0.24 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1rhf s PHE 116 CO 0.36 -1.16 -0.09 -1.14 -0.05 0.00 0.00 175.22 173.14 1rhf s GLN 117 N -3.94 1.12 0.33 1.99 0.74 -1.26 -0.73 119.66 117.90 1rhf s GLN 117 Ca 0.14 -0.30 0.08 0.00 0.05 0.00 0.00 55.36 55.33 1rhf s GLN 117 Cb -0.04 -1.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.01 1rhf s GLN 117 CO 0.07 0.07 0.11 -0.51 -0.55 0.00 0.00 175.29 174.48 1rhf s LEU 118 N 0.40 3.23 -0.01 3.68 1.43 -0.16 -4.96 118.68 122.28 1rhf s LEU 118 Ca -0.07 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.08 1rhf s LEU 118 Cb -0.11 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1rhf s LEU 118 CO 0.01 -0.24 0.37 -0.94 0.23 0.00 0.00 176.35 175.78 1rhf s SER 119 N -3.80 -0.27 0.04 2.29 1.04 -1.26 -0.02 113.70 111.71 1rhf s SER 119 Ca 0.36 0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.84 1rhf s SER 119 Cb -0.03 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1rhf s SER 119 CO 0.22 -0.50 0.25 0.00 0.98 0.00 0.00 173.24 174.19 1rhf s GLU 121 N -2.45 0.68 0.03 0.00 2.02 -0.45 -1.31 118.70 117.22 1rhf s GLU 121 Ca -0.06 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1rhf s GLU 121 Cb -0.01 -0.67 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 1rhf s GLU 121 CO -0.03 0.06 -0.06 0.00 0.02 0.00 0.00 175.26 175.25 1rhf s ALA 122 N 0.27 0.41 0.17 5.21 0.00 -1.26 -1.34 121.76 125.21 1rhf s ALA 122 Ca -0.03 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1rhf s ALA 122 Cb -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1rhf s ALA 122 CO -0.00 -0.05 -0.09 0.14 0.00 0.00 0.00 175.76 175.76 1rhf s VAL 123 N -1.23 1.21 0.00 0.00 -7.23 -0.28 -4.81 120.40 108.05 1rhf s VAL 123 Ca -0.10 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1rhf s VAL 123 Cb -0.09 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1rhf s VAL 123 CO -0.00 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 1rhf n GLY 124 N -0.26 1.34 3.90 2.32 0.00 -1.26 -0.78 105.19 110.44 1rhf n GLY 124 Ca -0.09 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1rhf n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rhf s PRO 125 N 2.11 3.13 0.71 1.61 0.04 -1.26 -4.76 135.00 136.59 1rhf s PRO 125 Ca 0.00 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.24 1rhf s PRO 125 Cb 0.00 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1rhf s PRO 125 CO 0.00 -0.70 1.08 -1.25 0.04 0.00 0.00 177.00 176.17 1rhf s PRO 126 N -5.11 2.69 0.21 0.56 0.04 -1.26 -1.84 135.00 130.30 1rhf s PRO 126 Ca 0.54 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.77 1rhf s PRO 126 Cb -0.11 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1rhf s PRO 126 CO 0.49 -1.30 0.15 -1.21 0.04 0.00 0.00 177.00 175.16 1rhf s GLU 127 N -4.74 2.86 0.59 4.56 0.41 -1.26 -4.64 118.70 116.48 1rhf s GLU 127 Ca 0.61 -0.98 -0.06 0.00 -0.41 0.00 0.00 54.97 54.13 1rhf s GLU 127 Cb -0.16 -2.58 0.01 0.00 -1.78 0.00 0.00 34.13 29.62 1rhf s GLU 127 CO 0.51 0.44 0.91 -1.25 -0.49 0.00 0.00 175.26 175.39 1rhf s PRO 128 N -3.43 2.93 -0.11 0.39 0.04 -1.26 -4.96 135.00 128.61 1rhf s PRO 128 Ca 0.32 0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.38 1rhf s PRO 128 Cb -0.09 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1rhf s PRO 128 CO 0.24 -0.71 -0.09 0.08 0.04 0.00 0.00 177.00 176.56 1rhf s VAL 129 N -3.01 3.48 0.17 -0.36 1.01 -1.26 -4.54 120.40 115.89 1rhf s VAL 129 Ca 0.54 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1rhf s VAL 129 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1rhf s VAL 129 CO 0.46 0.55 -0.14 0.42 0.00 0.00 0.00 175.10 176.38 1rhf s THR 130 N -0.12 2.95 -0.01 3.92 -4.23 -0.61 -3.35 115.64 114.19 1rhf s THR 130 Ca 0.01 -1.71 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1rhf s THR 130 Cb -0.13 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 1rhf s THR 130 CO 0.03 -0.07 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.21 1rhf s ILE 131 N -1.60 1.53 0.06 2.99 1.01 0.27 -0.67 121.20 124.79 1rhf s ILE 131 Ca 0.23 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1rhf s ILE 131 Cb -0.09 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1rhf s ILE 131 CO 0.13 0.42 -0.24 -0.69 0.00 0.00 0.00 174.94 174.56 1rhf s VAL 132 N -0.47 2.38 -0.15 2.92 1.01 -0.41 -2.25 120.40 123.44 1rhf s VAL 132 Ca 0.07 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 60.58 1rhf s VAL 132 Cb -0.07 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1rhf s VAL 132 CO -0.01 0.29 0.06 0.26 0.00 0.00 0.00 175.10 175.71 1rhf s TRP 133 N -0.90 3.29 -0.13 5.22 0.52 -0.77 -1.17 118.94 125.00 1rhf s TRP 133 Ca 0.13 0.18 -0.03 0.00 0.02 0.00 0.00 56.10 56.40 1rhf s TRP 133 Cb -0.10 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 1rhf s TRP 133 CO 0.04 0.33 -0.02 -1.58 0.02 0.00 0.00 176.95 175.74 1rhf s TRP 134 N -0.18 3.08 -0.24 -1.98 0.52 0.09 -0.91 118.94 119.32 1rhf s TRP 134 Ca 0.07 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.14 1rhf s TRP 134 Cb -0.12 -1.89 0.05 0.00 -1.15 0.00 0.00 33.47 30.35 1rhf s TRP 134 CO 0.01 0.18 -0.13 0.50 0.02 0.00 0.00 176.95 177.53 1rhf s ARG 135 N -0.14 2.49 7.18 4.98 3.52 -0.11 -1.53 118.95 135.34 1rhf s ARG 135 Ca 0.04 -1.18 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 1rhf s ARG 135 Cb -0.13 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1rhf s ARG 135 CO 0.02 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 1rhf n GLY 136 N 4.50 2.96 0.47 8.12 0.00 -1.26 -1.48 105.19 118.50 1rhf n GLY 136 Ca -0.16 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1rhf n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rhf n THR 137 N 0.00 2.09 -4.16 2.61 -2.24 -1.26 -4.96 114.28 106.36 1rhf n THR 137 Ca 0.00 -2.13 -0.35 0.00 -2.27 0.00 0.00 64.05 59.30 1rhf n THR 137 Cb 0.00 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 67.85 1rhf n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rhf s THR 138 N -2.88 3.73 -0.06 4.28 2.01 -0.55 -5.07 115.64 117.10 1rhf s THR 138 Ca 0.37 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1rhf s THR 138 Cb 0.31 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1rhf s THR 138 CO 0.05 0.45 1.37 -0.75 -0.69 0.00 0.00 174.62 175.05 1rhf s LYS 139 N 0.94 4.27 0.00 4.92 2.20 -1.26 -0.93 119.74 129.87 1rhf s LYS 139 Ca 0.00 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1rhf s LYS 139 Cb -0.14 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1rhf s LYS 139 CO 0.01 -0.62 0.00 -0.89 -0.36 0.00 0.00 175.35 173.49 1rhf n ILE 140 N 4.93 0.00 -3.54 5.43 2.08 -0.08 -4.96 119.36 123.22 1rhf n ILE 140 Ca 0.13 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.25 1rhf n ILE 140 Cb 0.44 -0.85 -0.01 0.00 -0.75 0.00 0.00 39.64 38.48 1rhf n ILE 140 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1rhf s GLY 141 N -0.72 1.51 0.00 7.39 0.00 -1.24 -4.91 107.32 109.35 1rhf s GLY 141 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1rhf s GLY 141 CO 0.00 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.40 1rhf n GLY 142 N -1.62 -2.43 3.72 0.20 0.00 -1.26 -1.85 105.19 101.95 1rhf n GLY 142 Ca -0.02 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1rhf n GLY 142 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rhf s PRO 143 N -0.99 4.44 0.05 1.61 0.02 -1.26 -4.95 135.00 133.92 1rhf s PRO 143 Ca 0.00 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 1rhf s PRO 143 Cb 0.00 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1rhf s PRO 143 CO 0.00 -0.22 -0.02 0.00 -0.33 0.00 0.00 177.00 176.43 1rhf s ALA 144 N 0.77 0.48 0.90 -1.55 0.00 -0.95 -4.92 121.76 116.48 1rhf s ALA 144 Ca 0.58 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 1rhf s ALA 144 Cb -0.31 0.28 0.13 0.00 0.00 0.00 0.00 23.12 23.23 1rhf s ALA 144 CO 0.31 -0.38 1.10 -1.25 0.00 0.00 0.00 175.76 175.54 1rhf s PRO 145 N -3.92 1.19 0.21 0.00 0.04 -1.26 -0.56 135.00 130.70 1rhf s PRO 145 Ca 0.07 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 1rhf s PRO 145 Cb 0.08 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.75 1rhf s PRO 145 CO -0.10 -2.35 0.69 0.45 0.04 0.00 0.00 177.00 175.73 1rhf s SER 146 N -3.16 7.00 0.59 6.66 0.15 -1.21 -4.03 113.70 119.69 1rhf s SER 146 Ca 0.64 1.35 -0.15 0.00 0.70 0.00 0.00 55.95 58.49 1rhf s SER 146 Cb -0.19 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1rhf s SER 146 CO 0.58 0.03 1.04 -2.16 1.20 0.00 0.00 173.24 173.93 1rhf s PRO 147 N -2.02 3.45 -0.04 5.44 0.04 -1.26 -5.03 135.00 135.59 1rhf s PRO 147 Ca 0.43 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1rhf s PRO 147 Cb -0.16 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1rhf s PRO 147 CO 0.20 -0.69 -0.25 0.45 0.04 0.00 0.00 177.00 176.75 1rhf s SER 148 N -3.06 3.03 0.14 6.66 0.15 -0.42 -5.03 113.70 115.16 1rhf s SER 148 Ca 0.61 -0.48 0.10 0.00 0.70 0.00 0.00 55.95 56.88 1rhf s SER 148 Cb -0.14 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 1rhf s SER 148 CO 0.39 0.28 -0.24 0.68 1.20 0.00 0.00 173.24 175.55 1rhf s VAL 149 N -0.41 2.13 -0.14 4.45 -7.23 -1.26 -1.64 120.40 116.30 1rhf s VAL 149 Ca 0.04 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1rhf s VAL 149 Cb -0.12 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.92 1rhf s VAL 149 CO 0.01 -0.03 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.44 1rhf s LEU 150 N -2.24 1.54 -0.23 1.32 2.96 0.97 -4.97 118.68 118.03 1rhf s LEU 150 Ca 0.14 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.44 1rhf s LEU 150 Cb -0.09 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 1rhf s LEU 150 CO 0.07 -0.09 0.41 0.20 -1.32 0.00 0.00 176.35 175.61 1rhf s ASN 151 N 1.57 6.39 -0.10 3.68 0.02 -1.26 -0.99 114.94 124.25 1rhf s ASN 151 Ca 0.04 0.46 0.03 0.00 -1.02 0.00 0.00 52.86 52.38 1rhf s ASN 151 Cb -0.13 -2.23 -0.00 0.00 0.02 0.00 0.00 41.25 38.90 1rhf s ASN 151 CO -0.10 -0.13 -0.22 -0.69 0.02 0.00 0.00 177.10 175.98 1rhf s VAL 152 N 1.65 2.25 0.30 1.60 1.01 0.09 -5.01 120.40 122.29 1rhf s VAL 152 Ca 0.18 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.29 1rhf s VAL 152 Cb -0.15 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1rhf s VAL 152 CO 0.09 0.56 1.69 0.71 0.00 0.00 0.00 175.10 178.15 1rhf h THR 153 N 5.57 1.34 0.00 3.92 1.35 -1.88 0.34 112.91 123.56 1rhf h THR 153 Ca -0.22 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1rhf h THR 153 Cb 1.23 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1rhf h THR 153 CO 0.49 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1rhf n GLY 154 N -0.10 2.16 3.17 5.82 0.00 -1.25 -1.81 105.19 113.18 1rhf n GLY 154 Ca -0.02 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 1rhf n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rhf s VAL 155 N -2.00 0.73 -0.40 1.61 -7.23 -1.26 -4.85 120.40 107.00 1rhf s VAL 155 Ca 0.00 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1rhf s VAL 155 Cb 0.00 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1rhf s VAL 155 CO 0.00 -0.80 0.51 0.35 -0.31 0.00 0.00 175.10 174.84 1rhf n THR 156 N 0.11 0.00 -4.02 5.32 -2.24 -1.26 -1.83 114.28 110.37 1rhf n THR 156 Ca -0.13 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.07 1rhf n THR 156 Cb 0.60 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.82 1rhf n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rhf s GLN 157 N -0.56 1.36 0.20 -0.78 -2.07 -1.26 -5.00 119.66 111.55 1rhf s GLN 157 Ca 0.04 -1.29 -0.32 0.00 -1.82 0.00 0.00 55.36 51.96 1rhf s GLN 157 Cb 0.03 0.41 -0.13 0.00 -1.09 0.00 0.00 33.01 32.23 1rhf s GLN 157 CO 0.07 -0.53 1.65 0.43 -1.32 0.00 0.00 175.29 175.59 1rhf n SER 158 N -0.31 3.63 0.00 12.60 7.64 -1.26 -4.81 113.62 131.11 1rhf n SER 158 Ca -0.03 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1rhf n SER 158 Cb 0.63 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1rhf n SER 158 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1rhf n THR 159 N 3.49 0.00 0.00 0.44 -1.04 -0.63 -5.00 114.28 111.55 1rhf n THR 159 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1rhf n THR 159 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1rhf n THR 159 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1rhf n PHE 161 N 0.00 0.00 -3.88 -1.42 3.01 -0.38 -1.04 117.46 113.76 1rhf n PHE 161 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1rhf n PHE 161 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 1rhf n PHE 161 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1rhf s SER 162 N 0.00 0.10 0.00 4.37 1.04 -0.58 -0.51 113.70 118.12 1rhf s SER 162 Ca 0.00 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1rhf s SER 162 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1rhf s SER 162 CO 0.00 -0.57 0.17 0.00 0.98 0.00 0.00 173.24 173.81 1rhf s GLU 164 N -1.98 2.33 -0.05 0.00 2.12 -0.32 -0.52 118.70 120.28 1rhf s GLU 164 Ca 0.27 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.80 1rhf s GLU 164 Cb -0.13 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1rhf s GLU 164 CO 0.19 -0.33 0.15 0.00 -0.54 0.00 0.00 175.26 174.73 1rhf s ALA 165 N 1.39 3.86 -0.03 6.30 0.00 0.51 -1.28 121.76 132.50 1rhf s ALA 165 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1rhf s ALA 165 Cb -0.15 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1rhf s ALA 165 CO -0.10 0.69 -0.08 -1.58 0.00 0.00 0.00 175.76 174.70 1rhf s HIS 166 N -1.18 0.88 0.00 0.00 2.46 0.15 -1.14 115.29 116.46 1rhf s HIS 166 Ca 0.22 -0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.51 1rhf s HIS 166 Cb -0.12 -0.67 0.00 0.00 -0.13 0.00 0.00 32.58 31.66 1rhf s HIS 166 CO 0.12 -0.13 0.00 0.27 -2.47 0.00 0.00 174.74 172.53 1rhf n ASN 167 N 3.52 0.02 -0.20 9.88 0.23 -0.55 -1.57 115.26 126.59 1rhf n ASN 167 Ca -0.20 -0.91 0.09 0.00 -0.53 0.00 0.00 54.58 53.02 1rhf n ASN 167 Cb 0.53 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.61 1rhf n ASN 167 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1rhf h LEU 168 N 0.00 0.64 -0.01 -4.53 5.85 -1.85 -2.51 115.31 112.89 1rhf h LEU 168 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1rhf h LEU 168 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1rhf h LEU 168 CO 0.00 0.39 0.00 0.29 -0.34 0.00 0.00 178.44 178.78 1rhf n LYS 169 N -4.50 0.21 0.00 1.25 4.76 -1.26 -5.03 118.16 113.59 1rhf n LYS 169 Ca 0.13 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1rhf n LYS 169 Cb 0.31 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 1rhf n LYS 169 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rhf n GLY 170 N 1.31 0.37 3.33 0.72 0.00 -0.95 -4.70 105.19 105.28 1rhf n GLY 170 Ca 0.06 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1rhf n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rhf s LEU 171 N 0.00 2.13 -0.00 0.99 1.43 -1.26 -1.49 118.68 120.48 1rhf s LEU 171 Ca 0.00 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1rhf s LEU 171 Cb 0.00 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1rhf s LEU 171 CO 0.00 0.28 -0.08 0.00 0.23 0.00 0.00 176.35 176.77 1rhf s ALA 172 N -0.74 0.68 0.04 4.21 0.00 -0.29 -4.80 121.76 120.85 1rhf s ALA 172 Ca 0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 1rhf s ALA 172 Cb -0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1rhf s ALA 172 CO 0.01 0.16 0.40 -1.12 0.00 0.00 0.00 175.76 175.21 1rhf s SER 173 N -0.28 6.73 0.97 0.00 0.01 -1.26 -0.37 113.70 119.50 1rhf s SER 173 Ca 0.02 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 1rhf s SER 173 Cb -0.04 -2.22 0.17 0.00 0.21 0.00 0.00 66.02 64.15 1rhf s SER 173 CO -0.00 0.25 1.11 -0.94 0.41 0.00 0.00 173.24 174.06 1rhf s SER 174 N -1.40 2.94 0.70 2.44 1.04 0.32 -4.97 113.70 114.77 1rhf s SER 174 Ca 0.28 1.14 -0.16 0.00 0.48 0.00 0.00 55.95 57.68 1rhf s SER 174 Cb -0.15 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 1rhf s SER 174 CO 0.15 -2.93 0.84 -2.11 0.98 0.00 0.00 173.24 170.18 1rhf n ARG 175 N -4.03 0.51 -2.98 4.02 1.85 -1.26 -4.74 116.66 110.03 1rhf n ARG 175 Ca 0.06 0.22 -0.42 0.00 -1.00 0.00 0.00 57.85 56.71 1rhf n ARG 175 Cb 0.58 -2.10 -0.05 0.00 -1.05 0.00 0.00 32.46 29.84 1rhf n ARG 175 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1rhf s THR 176 N -1.79 4.84 0.27 8.89 2.01 -1.26 -4.54 115.64 124.05 1rhf s THR 176 Ca 0.72 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 63.61 1rhf s THR 176 Cb -0.36 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 1rhf s THR 176 CO 0.52 -0.18 0.96 0.00 -0.69 0.00 0.00 174.62 175.23 1rhf s ALA 177 N 2.84 3.31 -0.15 7.40 0.00 0.33 -4.93 121.76 130.56 1rhf s ALA 177 Ca 0.31 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1rhf s ALA 177 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1rhf s ALA 177 CO 0.11 0.14 -0.11 0.99 0.00 0.00 0.00 175.76 176.89 1rhf s THR 178 N -1.28 3.07 -0.36 0.00 2.01 -1.26 -1.25 115.64 116.57 1rhf s THR 178 Ca 0.44 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1rhf s THR 178 Cb -0.25 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1rhf s THR 178 CO 0.31 0.50 0.21 -0.69 -0.69 0.00 0.00 174.62 174.27 1rhf s VAL 179 N 0.68 4.83 0.28 3.82 1.01 -0.20 -2.14 120.40 128.68 1rhf s VAL 179 Ca -0.06 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1rhf s VAL 179 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1rhf s VAL 179 CO 0.02 -0.12 0.18 -1.00 0.00 0.00 0.00 175.10 174.17 1rhf s HIS 180 N 1.62 2.94 0.17 5.22 3.76 0.12 -1.60 115.29 127.52 1rhf s HIS 180 Ca 0.04 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.45 1rhf s HIS 180 Cb -0.18 -1.48 -0.07 0.00 1.11 0.00 0.00 32.58 31.96 1rhf s HIS 180 CO 0.08 0.44 1.05 -0.51 -0.85 0.00 0.00 174.74 174.96 1rhf s LEU 181 N -3.85 4.50 0.00 0.89 1.43 -1.26 -1.37 118.68 119.03 1rhf s LEU 181 Ca 0.35 2.01 0.20 0.00 -1.03 0.00 0.00 54.13 55.66 1rhf s LEU 181 Cb -0.07 -3.60 1.22 0.00 0.03 0.00 0.00 46.19 43.78 1rhf s LEU 181 CO 0.24 -0.15 1.61 0.00 0.23 0.00 0.00 176.35 178.27