#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6o s LEU 8 N 0.00 3.24 -0.40 5.87 1.43 -1.26 -5.08 118.68 122.48 1r6o s LEU 8 Ca 0.00 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 1r6o s LEU 8 Cb 0.00 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1r6o s LEU 8 CO 0.00 0.30 0.23 -0.62 0.23 0.00 0.00 176.35 176.50 1r6o s ASP 9 N -1.31 5.70 0.37 2.29 2.15 -1.24 -4.95 116.67 119.68 1r6o s ASP 9 Ca 0.16 -1.24 0.27 0.00 0.43 0.00 0.00 52.55 52.18 1r6o s ASP 9 Cb -0.11 -2.01 1.16 0.00 -0.30 0.00 0.00 42.92 41.66 1r6o s ASP 9 CO 0.07 -0.46 1.82 -0.26 -0.17 0.00 0.00 175.17 176.16 1r6o h PHE 10 N 8.43 0.00 0.34 -5.34 0.04 -2.00 -2.94 116.94 115.47 1r6o h PHE 10 Ca -0.24 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 1r6o h PHE 10 Cb 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1r6o h PHE 10 CO 0.59 0.00 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.70 1r6o h ASP 11 N 0.00 -0.38 -3.27 2.17 3.32 -2.06 -3.42 116.42 112.76 1r6o h ASP 11 Ca 0.00 0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.40 1r6o h ASP 11 Cb 0.39 0.10 -0.30 0.00 0.22 0.00 0.00 39.33 39.73 1r6o h ASP 11 CO 0.00 -0.19 -0.78 -1.10 -1.72 0.00 0.00 179.24 175.44 1r6o s GLN 12 N -3.41 3.24 0.00 3.56 -0.21 -1.18 -5.32 119.66 116.35 1r6o s GLN 12 Ca -0.07 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1r6o s GLN 12 Cb 0.01 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.28 1r6o s GLN 12 CO 0.20 -0.08 0.00 1.28 -2.12 0.00 0.00 175.29 174.57 1r6o n LEU 13 N 4.35 0.00 -1.19 2.90 4.77 -1.12 -3.70 117.00 123.02 1r6o n LEU 13 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1r6o n LEU 13 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1r6o n LEU 13 CO 0.28 0.00 -0.25 0.47 -1.33 0.00 0.00 177.39 176.57 1r6o n ASP 20 N 0.00 -5.71 -4.75 -1.43 9.92 -1.26 -5.10 116.55 108.23 1r6o n ASP 20 Ca 0.00 0.71 -0.41 0.00 -0.53 0.00 0.00 54.79 54.56 1r6o n ASP 20 Cb 0.00 -2.75 -0.02 0.00 -0.64 0.00 0.00 41.12 37.70 1r6o n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r6o s ALA 21 N -0.73 3.57 -0.09 2.24 0.00 -1.26 -5.02 121.76 120.47 1r6o s ALA 21 Ca 0.00 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 1r6o s ALA 21 Cb 0.00 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.63 1r6o s ALA 21 CO 0.00 -0.66 -0.04 -1.17 0.00 0.00 0.00 175.76 173.89 1r6o s LEU 22 N -0.65 0.97 0.06 0.00 2.96 -1.26 -5.14 118.68 115.62 1r6o s LEU 22 Ca 0.56 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1r6o s LEU 22 Cb -0.40 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 1r6o s LEU 22 CO 0.44 -0.14 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.63 1r6o s LYS 23 N 1.72 2.06 0.62 1.98 1.02 -1.26 -5.12 119.74 120.76 1r6o s LYS 23 Ca 0.03 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 54.85 1r6o s LYS 23 Cb -0.13 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1r6o s LYS 23 CO -0.06 0.53 1.14 -2.14 -0.92 0.00 0.00 175.35 173.90 1r6o s PRO 24 N -1.69 2.93 0.53 -1.68 0.02 -1.26 -4.97 135.00 128.88 1r6o s PRO 24 Ca 0.16 1.55 -0.22 0.00 0.02 0.00 0.00 61.00 62.52 1r6o s PRO 24 Cb -0.11 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 1r6o s PRO 24 CO 0.08 -1.17 1.31 -0.35 -0.33 0.00 0.00 177.00 176.53 1r6o n PRO 25 N -1.98 1.67 -2.14 5.54 -0.04 -1.26 -4.98 135.00 131.80 1r6o n PRO 25 Ca 0.11 0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 63.89 1r6o n PRO 25 Cb 0.51 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.48 1r6o n PRO 25 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r6o s SER 26 N -0.86 6.15 0.56 3.54 1.04 -1.26 -4.94 113.70 117.92 1r6o s SER 26 Ca 0.70 1.20 -0.13 0.00 0.48 0.00 0.00 55.95 58.20 1r6o s SER 26 Cb -0.43 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.31 1r6o s SER 26 CO 0.51 -0.82 0.99 -0.04 0.98 0.00 0.00 173.24 174.86 1r6o s MET 27 N -5.04 3.75 -0.02 4.02 -1.94 -1.26 -3.50 119.30 115.31 1r6o s MET 27 Ca 0.53 0.79 0.05 0.00 -1.71 0.00 0.00 55.69 55.35 1r6o s MET 27 Cb -0.11 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.59 1r6o s MET 27 CO 0.50 -0.40 -0.16 0.71 -0.01 0.00 0.00 175.02 175.66 1r6o s TYR 28 N -2.89 1.47 0.09 -0.03 1.51 0.23 -0.80 117.35 116.93 1r6o s TYR 28 Ca 0.56 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 56.05 1r6o s TYR 28 Cb -0.10 -0.96 -0.06 0.00 -0.11 0.00 0.00 41.96 40.73 1r6o s TYR 28 CO 0.43 -0.04 0.86 0.15 -1.11 0.00 0.00 175.55 175.83 1r6o s LYS 29 N -0.31 4.60 -0.24 -0.62 1.02 0.10 -1.09 119.74 123.19 1r6o s LYS 29 Ca 0.05 1.25 -0.09 0.00 0.02 0.00 0.00 55.97 57.20 1r6o s LYS 29 Cb -0.07 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1r6o s LYS 29 CO -0.00 0.28 0.12 0.08 -0.92 0.00 0.00 175.35 174.90 1r6o s VAL 30 N -0.13 4.90 0.05 3.17 1.01 0.18 -1.93 120.40 127.65 1r6o s VAL 30 Ca 0.42 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.51 1r6o s VAL 30 Cb -0.22 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1r6o s VAL 30 CO 0.26 0.35 -0.23 -0.63 0.00 0.00 0.00 175.10 174.85 1r6o s ILE 31 N 1.25 2.41 -0.16 2.22 1.01 0.11 0.03 121.20 128.07 1r6o s ILE 31 Ca 0.06 -1.35 -0.02 0.00 0.00 0.00 0.00 60.65 59.34 1r6o s ILE 31 Cb -0.14 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1r6o s ILE 31 CO 0.05 0.33 -0.07 -0.22 0.00 0.00 0.00 174.94 175.02 1r6o s LEU 32 N -1.41 2.96 -0.02 2.97 2.96 -0.51 -0.64 118.68 125.00 1r6o s LEU 32 Ca 0.13 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1r6o s LEU 32 Cb -0.10 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1r6o s LEU 32 CO 0.04 0.12 0.14 -0.69 -1.32 0.00 0.00 176.35 174.64 1r6o s VAL 33 N 0.64 5.19 0.46 1.68 1.01 -0.28 -2.17 120.40 126.93 1r6o s VAL 33 Ca -0.04 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 1r6o s VAL 33 Cb -0.15 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1r6o s VAL 33 CO 0.03 0.38 0.99 0.21 0.00 0.00 0.00 175.10 176.70 1r6o s ASN 34 N -1.74 6.64 0.25 3.32 2.47 -0.56 -4.24 114.94 121.08 1r6o s ASN 34 Ca 0.24 1.79 -0.12 0.00 0.42 0.00 0.00 52.86 55.19 1r6o s ASN 34 Cb -0.12 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.12 1r6o s ASN 34 CO 0.15 -0.57 0.45 1.51 -3.72 0.00 0.00 177.10 174.92 1r6o s ASP 35 N -2.16 -0.06 0.00 -4.21 1.47 -1.26 -4.97 116.67 105.47 1r6o s ASP 35 Ca 0.64 -0.97 0.27 0.00 1.18 0.00 0.00 52.55 53.67 1r6o s ASP 35 Cb -0.12 0.57 0.91 0.00 -0.34 0.00 0.00 42.92 43.94 1r6o s ASP 35 CO 0.18 -1.12 1.66 0.47 0.68 0.00 0.00 175.17 177.03 1r6o n ASP 36 N -0.39 0.89 -0.05 2.11 8.00 -1.26 -4.37 116.55 121.48 1r6o n ASP 36 Ca -0.01 -0.83 -0.05 0.00 0.71 0.00 0.00 54.79 54.60 1r6o n ASP 36 Cb 0.62 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.71 1r6o n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1r6o n TYR 37 N -0.69 0.00 -2.20 1.24 4.01 -1.26 -4.96 117.16 113.29 1r6o n TYR 37 Ca 0.13 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.45 1r6o n TYR 37 Cb 0.33 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 1r6o n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1r6o s THR 38 N -2.25 3.78 0.48 -0.72 2.01 -1.26 -4.98 115.64 112.70 1r6o s THR 38 Ca -0.05 1.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.79 1r6o s THR 38 Cb 0.03 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 1r6o s THR 38 CO 0.42 -0.05 1.22 -2.84 -0.69 0.00 0.00 174.62 172.69 1r6o s PRO 39 N 3.09 3.61 0.37 4.92 0.02 -1.26 -4.92 135.00 140.83 1r6o s PRO 39 Ca 0.65 1.92 0.07 0.00 0.02 0.00 0.00 61.00 63.66 1r6o s PRO 39 Cb -0.30 -2.39 0.78 0.00 0.02 0.00 0.00 34.50 32.61 1r6o s PRO 39 CO 0.25 -0.72 1.94 0.52 -0.33 0.00 0.00 177.00 178.66 1r6o h MET 40 N 1.94 0.69 -0.62 5.54 2.86 -2.00 -1.41 114.93 121.93 1r6o h MET 40 Ca -0.50 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1r6o h MET 40 Cb 1.26 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1r6o h MET 40 CO 0.60 0.46 0.33 1.49 1.06 0.00 0.00 176.91 180.85 1r6o h GLU 41 N 0.71 0.85 -0.27 1.72 4.81 -2.00 -2.13 114.58 118.27 1r6o h GLU 41 Ca 0.34 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 1r6o h GLU 41 Cb 0.39 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1r6o h GLU 41 CO -0.12 0.63 -0.46 0.35 -0.73 0.00 0.00 179.01 178.68 1r6o h PHE 42 N 0.86 0.98 -0.55 0.92 3.57 -1.64 -0.87 116.94 120.21 1r6o h PHE 42 Ca 0.22 -0.34 0.03 0.00 3.53 0.00 0.00 57.97 61.41 1r6o h PHE 42 Cb 0.03 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1r6o h PHE 42 CO 0.01 1.14 0.33 0.28 -2.23 0.00 0.00 178.31 177.83 1r6o h VAL 43 N 0.54 1.05 -0.76 1.41 2.07 -1.27 0.27 116.25 119.56 1r6o h VAL 43 Ca 0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1r6o h VAL 43 Cb 1.06 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1r6o h VAL 43 CO 0.10 0.12 0.35 0.40 0.02 0.00 0.00 177.57 178.56 1r6o h ILE 44 N 0.65 1.25 -0.13 4.57 2.04 -1.29 -0.72 117.51 123.88 1r6o h ILE 44 Ca 0.22 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1r6o h ILE 44 Cb 0.03 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1r6o h ILE 44 CO -0.10 0.30 -0.06 -0.78 0.00 0.00 0.00 178.15 177.50 1r6o h ASP 45 N 1.07 -0.21 -0.65 1.72 3.58 -0.49 -0.58 116.42 120.86 1r6o h ASP 45 Ca 0.26 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.80 1r6o h ASP 45 Cb 0.14 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 1r6o h ASP 45 CO -0.03 -0.09 0.39 0.58 -2.88 0.00 0.00 179.24 177.21 1r6o h VAL 46 N -0.05 1.05 -0.45 2.25 2.07 -0.59 0.17 116.25 120.70 1r6o h VAL 46 Ca 0.07 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1r6o h VAL 46 Cb 0.16 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1r6o h VAL 46 CO -0.16 0.14 -0.01 -0.07 0.02 0.00 0.00 177.57 177.48 1r6o h LEU 47 N 0.75 0.72 0.09 2.57 3.38 -0.53 0.39 115.31 122.68 1r6o h LEU 47 Ca 0.27 -0.17 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 1r6o h LEU 47 Cb 0.06 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.65 1r6o h LEU 47 CO -0.12 0.80 -1.04 1.56 0.09 0.00 0.00 178.44 179.72 1r6o h GLN 48 N 0.70 0.55 -0.07 1.13 4.20 -0.75 -2.55 115.11 118.33 1r6o h GLN 48 Ca 0.14 -0.71 -0.11 0.00 0.06 0.00 0.00 58.65 58.03 1r6o h GLN 48 Cb 0.45 0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.47 1r6o h GLN 48 CO 0.02 1.31 -0.37 -0.22 -0.67 0.00 0.00 178.83 178.89 1r6o h LYS 49 N 0.13 0.37 -0.01 1.46 3.64 -0.53 -2.75 116.57 118.87 1r6o h LYS 49 Ca -0.16 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1r6o h LYS 49 Cb 1.74 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1r6o h LYS 49 CO 0.20 0.95 -0.53 1.19 -2.27 0.00 0.00 179.45 178.99 1r6o n PHE 50 N -4.38 0.00 -0.57 1.91 3.72 0.11 -4.46 117.46 113.80 1r6o n PHE 50 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1r6o n PHE 50 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1r6o n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1r6o n PHE 51 N -0.33 0.00 -2.22 1.38 3.72 -0.98 -5.03 117.46 113.99 1r6o n PHE 51 Ca 0.08 -0.02 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 1r6o n PHE 51 Cb 0.41 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 1r6o n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1r6o n SER 52 N -0.02 -5.58 -4.84 4.37 7.64 -1.04 -4.95 113.62 109.21 1r6o n SER 52 Ca 0.00 0.07 -0.32 0.00 1.01 0.00 0.00 58.87 59.63 1r6o n SER 52 Cb 0.17 -4.64 -0.05 0.00 -1.01 0.00 0.00 64.21 58.68 1r6o n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r6o s TYR 53 N -2.93 3.41 0.76 1.43 2.02 -1.11 -4.99 117.35 115.94 1r6o s TYR 53 Ca 0.00 1.44 -0.09 0.00 -0.37 0.00 0.00 57.07 58.05 1r6o s TYR 53 Cb 0.00 -2.75 0.08 0.00 -0.40 0.00 0.00 41.96 38.89 1r6o s TYR 53 CO 0.00 -0.23 1.10 0.16 -1.57 0.00 0.00 175.55 175.01 1r6o s ASP 54 N -2.77 4.60 0.21 2.29 1.47 -1.26 -4.39 116.67 116.81 1r6o s ASP 54 Ca 0.59 0.59 -0.10 0.00 1.18 0.00 0.00 52.55 54.81 1r6o s ASP 54 Cb -0.10 -1.14 0.29 0.00 -0.34 0.00 0.00 42.92 41.63 1r6o s ASP 54 CO 0.25 -1.79 1.73 0.58 0.68 0.00 0.00 175.17 176.62 1r6o h VAL 55 N -0.85 0.72 0.52 2.11 2.07 -1.97 -0.71 116.25 118.13 1r6o h VAL 55 Ca -0.45 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1r6o h VAL 55 Cb 1.32 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1r6o h VAL 55 CO 0.62 0.06 -0.46 -0.33 0.02 0.00 0.00 177.57 177.48 1r6o h GLU 56 N 0.35 -0.94 -0.48 1.57 5.08 -1.99 -0.26 114.58 117.91 1r6o h GLU 56 Ca 0.31 0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1r6o h GLU 56 Cb 0.42 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1r6o h GLU 56 CO -0.34 -0.62 -0.02 -0.09 -1.00 0.00 0.00 179.01 176.93 1r6o h ARG 57 N -0.97 0.82 -0.90 2.33 9.65 -1.92 -2.07 114.38 121.32 1r6o h ARG 57 Ca -0.06 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1r6o h ARG 57 Cb 0.84 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.28 1r6o h ARG 57 CO -0.03 0.83 0.52 0.00 2.80 0.00 0.00 179.97 184.10 1r6o h ALA 58 N 1.22 1.15 -0.40 2.80 0.00 -0.98 -1.20 119.26 121.84 1r6o h ALA 58 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1r6o h ALA 58 Cb 0.49 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1r6o h ALA 58 CO 0.02 0.62 0.10 1.15 0.00 0.00 0.00 179.25 181.15 1r6o h THR 59 N 1.24 1.23 -0.79 0.00 2.02 -0.68 -1.10 112.91 114.82 1r6o h THR 59 Ca 0.32 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1r6o h THR 59 Cb -0.03 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1r6o h THR 59 CO -0.06 0.27 0.49 1.56 0.37 0.00 0.00 175.52 178.15 1r6o h GLN 60 N 0.51 1.07 -0.13 6.66 4.20 -1.07 -1.73 115.11 124.62 1r6o h GLN 60 Ca 0.13 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1r6o h GLN 60 Cb 0.30 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1r6o h GLN 60 CO 0.00 0.74 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.35 1r6o h LEU 61 N 1.08 0.37 -0.58 1.46 3.38 -1.04 -2.00 115.31 117.99 1r6o h LEU 61 Ca 0.29 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1r6o h LEU 61 Cb -0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1r6o h LEU 61 CO -0.06 0.79 0.14 -0.03 0.09 0.00 0.00 178.44 179.38 1r6o h MET 62 N 0.27 0.93 -0.47 1.13 4.05 -0.85 -0.89 114.93 119.10 1r6o h MET 62 Ca 0.01 -0.23 -0.08 0.00 -0.28 0.00 0.00 59.70 59.13 1r6o h MET 62 Cb 0.95 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 1r6o h MET 62 CO 0.08 0.86 -0.02 -0.07 0.23 0.00 0.00 176.91 177.99 1r6o h LEU 63 N 0.83 0.77 -0.35 3.39 3.38 -1.16 -0.45 115.31 121.72 1r6o h LEU 63 Ca 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1r6o h LEU 63 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1r6o h LEU 63 CO 0.00 0.85 0.14 0.00 0.09 0.00 0.00 178.44 179.53 1r6o h ALA 64 N 1.23 0.45 -0.42 1.53 0.00 -1.02 0.17 119.26 121.21 1r6o h ALA 64 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1r6o h ALA 64 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1r6o h ALA 64 CO 0.02 0.05 0.21 0.28 0.00 0.00 0.00 179.25 179.82 1r6o h VAL 65 N 0.42 0.98 -0.20 0.00 2.07 -0.85 0.29 116.25 118.97 1r6o h VAL 65 Ca 0.12 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1r6o h VAL 65 Cb 0.18 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1r6o h VAL 65 CO -0.01 0.08 0.11 -0.74 0.02 0.00 0.00 177.57 177.03 1r6o h HIS 66 N 0.43 0.27 0.07 1.57 6.17 -0.67 -0.94 115.15 122.05 1r6o h HIS 66 Ca 0.18 -0.00 -0.32 0.00 0.71 0.00 0.00 60.37 60.94 1r6o h HIS 66 Cb 0.07 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 29.89 1r6o h HIS 66 CO -0.10 0.23 -1.74 1.88 0.71 0.00 0.00 177.93 178.92 1r6o h TYR 67 N 0.22 0.27 0.00 5.26 0.05 -0.57 -3.37 116.97 118.82 1r6o h TYR 67 Ca 0.07 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.66 1r6o h TYR 67 Cb 0.05 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1r6o h TYR 67 CO -0.04 1.35 -0.76 1.04 -1.05 0.00 0.00 178.16 178.70 1r6o n GLN 68 N -3.29 0.09 0.00 4.88 6.02 0.10 -4.96 117.38 120.22 1r6o n GLN 68 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1r6o n GLN 68 Cb 1.05 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1r6o n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r6o n GLY 69 N 1.46 3.10 3.40 1.08 0.00 -0.36 -4.96 105.19 108.90 1r6o n GLY 69 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1r6o n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r6o s LYS 70 N -0.36 1.20 -0.18 1.61 1.02 -1.23 -1.49 119.74 120.31 1r6o s LYS 70 Ca 0.00 -0.81 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1r6o s LYS 70 Cb 0.00 0.48 0.07 0.00 -0.52 0.00 0.00 37.83 37.86 1r6o s LYS 70 CO 0.00 -0.48 0.66 0.00 -0.92 0.00 0.00 175.35 174.61 1r6o s ALA 71 N -3.84 -1.67 -0.19 5.17 0.00 -0.92 -4.16 121.76 116.14 1r6o s ALA 71 Ca 0.07 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.44 1r6o s ALA 71 Cb 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1r6o s ALA 71 CO -0.07 -0.33 0.83 0.42 0.00 0.00 0.00 175.76 176.60 1r6o s ILE 72 N -0.19 4.87 -0.00 0.00 1.01 -1.26 -1.43 121.20 124.19 1r6o s ILE 72 Ca -0.04 1.61 0.11 0.00 0.00 0.00 0.00 60.65 62.33 1r6o s ILE 72 Cb -0.03 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.10 1r6o s ILE 72 CO 0.04 -0.01 0.89 0.00 0.00 0.00 0.00 174.94 175.86 1r6o n GLY 74 N 1.47 0.16 3.08 0.00 0.00 -1.22 -5.00 105.19 103.68 1r6o n GLY 74 Ca -0.11 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1r6o n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r6o s VAL 75 N -2.00 1.62 0.28 1.61 1.01 -1.26 -0.65 120.40 121.01 1r6o s VAL 75 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1r6o s VAL 75 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1r6o s VAL 75 CO 0.00 0.47 0.21 -0.36 0.00 0.00 0.00 175.10 175.42 1r6o s PHE 76 N 1.00 1.51 0.79 5.22 0.08 -0.25 -4.93 117.98 121.39 1r6o s PHE 76 Ca -0.05 -1.53 -0.11 0.00 0.12 0.00 0.00 56.93 55.35 1r6o s PHE 76 Cb -0.15 -0.66 0.07 0.00 -0.57 0.00 0.00 43.02 41.71 1r6o s PHE 76 CO -0.03 -0.76 1.11 0.95 -0.10 0.00 0.00 175.22 176.39 1r6o s THR 77 N -3.74 3.05 0.22 0.64 -4.23 -1.26 0.77 115.64 111.09 1r6o s THR 77 Ca 0.40 0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1r6o s THR 77 Cb 0.04 -2.76 0.18 0.00 1.34 0.00 0.00 72.50 71.31 1r6o s THR 77 CO 0.21 -0.43 1.71 0.00 -0.54 0.00 0.00 174.62 175.57 1r6o h ALA 78 N -1.15 0.84 -0.24 3.99 0.00 -1.89 0.13 119.26 120.93 1r6o h ALA 78 Ca -0.44 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1r6o h ALA 78 Cb 1.24 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1r6o h ALA 78 CO 0.50 -0.27 0.15 1.49 0.00 0.00 0.00 179.25 181.11 1r6o h GLU 79 N 0.33 0.33 -0.24 0.00 4.81 -1.91 -1.67 114.58 116.23 1r6o h GLU 79 Ca 0.35 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.40 1r6o h GLU 79 Cb 0.52 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1r6o h GLU 79 CO -0.40 0.26 -0.46 0.28 -0.73 0.00 0.00 179.01 177.96 1r6o h VAL 80 N 0.30 1.30 -0.42 0.32 2.07 -1.79 -3.08 116.25 114.96 1r6o h VAL 80 Ca 0.09 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.98 1r6o h VAL 80 Cb 0.01 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1r6o h VAL 80 CO -0.02 0.53 0.18 0.00 0.02 0.00 0.00 177.57 178.29 1r6o h ALA 81 N 0.63 0.52 -0.98 1.67 0.00 -0.68 -0.77 119.26 119.65 1r6o h ALA 81 Ca 0.01 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1r6o h ALA 81 Cb 1.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1r6o h ALA 81 CO 0.10 -0.19 0.64 1.49 0.00 0.00 0.00 179.25 181.29 1r6o h GLU 82 N 0.38 1.16 -0.11 0.00 4.81 -1.32 -0.62 114.58 118.88 1r6o h GLU 82 Ca 0.19 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1r6o h GLU 82 Cb 0.13 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1r6o h GLU 82 CO -0.16 0.77 -0.35 1.15 -0.73 0.00 0.00 179.01 179.69 1r6o h THR 83 N 1.19 1.39 -0.70 0.32 2.02 -1.32 -2.53 112.91 113.28 1r6o h THR 83 Ca 0.40 -1.67 0.02 0.00 0.77 0.00 0.00 66.41 65.93 1r6o h THR 83 Cb 0.08 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1r6o h THR 83 CO -0.14 0.49 0.45 0.11 0.37 0.00 0.00 175.52 176.80 1r6o h LYS 84 N -0.00 0.88 -0.40 6.66 1.57 -0.91 -0.78 116.57 123.59 1r6o h LYS 84 Ca -0.01 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1r6o h LYS 84 Cb 0.97 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1r6o h LYS 84 CO 0.07 0.58 0.22 0.28 -0.57 0.00 0.00 179.45 180.04 1r6o h VAL 85 N 0.91 1.02 -0.65 0.50 2.07 -1.13 -1.24 116.25 117.73 1r6o h VAL 85 Ca 0.26 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 1r6o h VAL 85 Cb -0.06 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1r6o h VAL 85 CO -0.08 0.08 0.19 0.00 0.02 0.00 0.00 177.57 177.79 1r6o h ALA 86 N 1.19 0.85 -0.61 1.67 0.00 -1.08 -1.33 119.26 119.95 1r6o h ALA 86 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1r6o h ALA 86 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1r6o h ALA 86 CO -0.09 0.54 0.27 0.52 0.00 0.00 0.00 179.25 180.49 1r6o h MET 87 N 0.95 0.89 -0.12 0.00 2.07 -0.86 -0.55 114.93 117.31 1r6o h MET 87 Ca 0.21 -0.15 -0.02 0.00 -2.07 0.00 0.00 59.70 57.67 1r6o h MET 87 Cb 0.31 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1r6o h MET 87 CO -0.00 0.74 0.00 0.28 1.07 0.00 0.00 176.91 179.00 1r6o h VAL 88 N 0.84 1.25 -0.51 -2.22 2.07 -1.02 -1.36 116.25 115.30 1r6o h VAL 88 Ca 0.21 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1r6o h VAL 88 Cb 0.16 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1r6o h VAL 88 CO -0.02 0.23 0.19 0.78 0.02 0.00 0.00 177.57 178.77 1r6o h ASN 89 N -0.06 0.68 -0.40 0.57 2.35 -1.20 -0.20 115.58 117.32 1r6o h ASN 89 Ca 0.03 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1r6o h ASN 89 Cb 0.35 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1r6o h ASN 89 CO 0.01 0.63 -0.13 0.50 -1.65 0.00 0.00 177.43 176.79 1r6o h LYS 90 N 0.73 0.79 -0.71 0.81 3.64 -1.01 -1.49 116.57 119.33 1r6o h LYS 90 Ca 0.17 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1r6o h LYS 90 Cb 0.17 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1r6o h LYS 90 CO -0.01 0.93 0.29 -0.92 -2.27 0.00 0.00 179.45 177.47 1r6o h TYR 91 N 0.60 1.08 -0.54 1.91 3.20 -0.73 -0.26 116.97 122.22 1r6o h TYR 91 Ca 0.10 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1r6o h TYR 91 Cb 0.66 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1r6o h TYR 91 CO 0.05 0.83 0.09 0.00 -1.64 0.00 0.00 178.16 177.49 1r6o h ALA 92 N 1.14 0.72 -0.55 1.82 0.00 -0.99 -2.11 119.26 119.29 1r6o h ALA 92 Ca 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1r6o h ALA 92 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1r6o h ALA 92 CO -0.02 0.47 0.24 -0.09 0.00 0.00 0.00 179.25 179.84 1r6o h ARG 93 N 0.79 0.81 0.00 0.00 2.43 -0.93 0.96 114.38 118.44 1r6o h ARG 93 Ca 0.16 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1r6o h ARG 93 Cb 0.41 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1r6o h ARG 93 CO 0.01 0.69 -0.24 0.93 -1.51 0.00 0.00 179.97 179.86 1r6o h GLU 94 N 0.75 0.00 -0.64 0.20 5.08 -0.91 -1.66 114.58 117.40 1r6o h GLU 94 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1r6o h GLU 94 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1r6o h GLU 94 CO -0.02 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 178.32 1r6o n ASN 95 N -4.25 3.43 -3.23 1.42 3.02 -0.81 -4.96 115.26 109.89 1r6o n ASN 95 Ca -0.02 -2.00 -0.23 0.00 -0.03 0.00 0.00 54.58 52.30 1r6o n ASN 95 Cb 0.29 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 1r6o n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r6o n GLU 96 N 1.38 -6.07 -4.77 3.52 1.02 -0.52 -5.02 120.64 110.18 1r6o n GLU 96 Ca 0.21 0.89 -0.32 0.00 -0.02 0.00 0.00 57.16 57.93 1r6o n GLU 96 Cb 0.54 -5.83 -0.13 0.00 -0.02 0.00 0.00 31.44 26.01 1r6o n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r6o s HIS 97 N -3.24 2.63 -0.14 -0.32 3.76 0.22 -5.01 115.29 113.19 1r6o s HIS 97 Ca 0.41 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.12 1r6o s HIS 97 Cb -0.18 -1.55 0.16 0.00 1.11 0.00 0.00 32.58 32.13 1r6o s HIS 97 CO 0.51 0.22 1.48 -0.35 -0.85 0.00 0.00 174.74 175.74 1r6o n PRO 98 N 1.90 1.37 -2.01 8.40 -0.04 -1.26 -4.04 135.00 139.32 1r6o n PRO 98 Ca -0.16 -0.83 -0.43 0.00 -0.04 0.00 0.00 63.50 62.04 1r6o n PRO 98 Cb 0.52 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 1r6o n PRO 98 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1r6o s LEU 99 N -0.93 4.03 -0.23 1.53 2.96 -1.26 -4.92 118.68 119.85 1r6o s LEU 99 Ca 0.16 1.90 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 1r6o s LEU 99 Cb 0.13 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 1r6o s LEU 99 CO 0.02 -1.20 0.23 -0.22 -1.32 0.00 0.00 176.35 173.86 1r6o s LEU 100 N 5.04 4.11 -0.13 -0.68 2.96 -1.26 -4.78 118.68 123.94 1r6o s LEU 100 Ca 0.75 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1r6o s LEU 100 Cb -0.29 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1r6o s LEU 100 CO 0.30 0.01 -0.07 0.00 -1.32 0.00 0.00 176.35 175.28 1r6o s THR 102 N 0.06 0.42 0.06 0.00 -4.23 0.19 -4.92 115.64 107.22 1r6o s THR 102 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1r6o s THR 102 Cb -0.14 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1r6o s THR 102 CO 0.03 0.00 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.59 1r6o s LEU 103 N -3.47 2.44 -0.03 4.79 0.05 -1.26 0.09 118.68 121.30 1r6o s LEU 103 Ca 0.32 -0.89 -0.29 0.00 0.05 0.00 0.00 54.13 53.31 1r6o s LEU 103 Cb 0.04 0.09 0.07 0.00 -2.05 0.00 0.00 46.19 44.33 1r6o s LEU 103 CO 0.18 -0.49 0.65 -1.83 -0.55 0.00 0.00 176.35 174.31 1r6o s GLU 104 N -3.36 1.06 0.19 1.48 -1.05 -0.82 -4.98 118.70 111.23 1r6o s GLU 104 Ca 0.04 0.16 -0.33 0.00 -0.15 0.00 0.00 54.97 54.69 1r6o s GLU 104 Cb 0.03 0.50 -0.14 0.00 -0.44 0.00 0.00 34.13 34.08 1r6o s GLU 104 CO -0.07 -0.35 1.42 1.63 0.95 0.00 0.00 175.26 178.85 1r6o n LYS 105 N 0.79 1.87 0.00 -4.83 5.02 -1.26 0.01 118.16 119.76 1r6o n LYS 105 Ca -0.19 0.67 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 1r6o n LYS 105 Cb 0.58 -2.34 0.24 0.00 -0.02 0.00 0.00 35.03 33.49 1r6o n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88