#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6o h ASP 6 N 0.00 0.43 1.50 6.41 1.82 -2.09 -3.33 116.42 121.17 1r6o h ASP 6 Ca 0.00 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.74 1r6o h ASP 6 Cb 0.00 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.87 1r6o h ASP 6 CO 0.00 1.78 -0.00 4.11 -1.61 0.00 0.00 179.24 183.52 1r6o h TRP 7 N -0.06 0.00 -0.02 0.28 5.08 -2.07 -3.12 115.95 116.04 1r6o h TRP 7 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.59 1r6o h TRP 7 Cb 1.96 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.12 1r6o h TRP 7 CO 0.09 0.00 0.00 -0.11 -1.28 0.00 0.00 178.44 177.14 1r6o n LEU 8 N -2.31 0.14 -4.38 0.11 0.00 -1.25 -4.53 117.00 104.77 1r6o n LEU 8 Ca 0.05 -0.07 -0.42 0.00 0.00 0.00 0.00 56.01 55.58 1r6o n LEU 8 Cb 0.44 -0.02 -0.10 0.00 0.00 0.00 0.00 43.42 43.74 1r6o n LEU 8 CO 0.31 0.03 -0.10 -0.62 0.00 0.00 0.00 177.39 177.01 1r6o s ASP 9 N -0.99 5.87 -0.16 1.96 2.15 -1.18 -4.72 116.67 119.59 1r6o s ASP 9 Ca 0.02 -1.10 0.16 0.00 0.43 0.00 0.00 52.55 52.05 1r6o s ASP 9 Cb 0.01 -2.07 0.67 0.00 -0.30 0.00 0.00 42.92 41.22 1r6o s ASP 9 CO 0.01 -0.46 1.58 0.49 -0.17 0.00 0.00 175.17 176.62 1r6o n PHE 10 N 5.05 1.44 -3.54 -5.34 3.72 -1.26 -4.47 117.46 113.07 1r6o n PHE 10 Ca -0.11 -0.71 -0.29 0.00 -0.05 0.00 0.00 57.45 56.28 1r6o n PHE 10 Cb 0.45 -0.33 -0.14 0.00 -0.94 0.00 0.00 39.48 38.52 1r6o n PHE 10 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1r6o s ASP 11 N -1.17 3.42 0.00 4.37 1.47 -1.26 -5.27 116.67 118.23 1r6o s ASP 11 Ca 0.47 -1.62 0.00 0.00 1.18 0.00 0.00 52.55 52.58 1r6o s ASP 11 Cb 0.34 -0.43 0.00 0.00 -0.34 0.00 0.00 42.92 42.50 1r6o s ASP 11 CO 0.17 -0.39 0.00 0.00 0.68 0.00 0.00 175.17 175.62 1r6o n GLN 12 N 4.81 0.00 0.00 2.11 10.64 -1.26 -5.25 117.38 128.43 1r6o n GLN 12 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1r6o n GLN 12 Cb 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.78 1r6o n GLN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r6o n ALA 21 N -0.34 0.00 -3.77 2.61 0.00 -1.26 -5.06 120.51 112.70 1r6o n ALA 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1r6o n ALA 21 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1r6o n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r6o s LEU 22 N -7.55 1.77 -0.00 0.00 1.02 -1.26 -5.12 118.68 107.53 1r6o s LEU 22 Ca 0.00 -0.47 0.05 0.00 0.02 0.00 0.00 54.13 53.73 1r6o s LEU 22 Cb 0.00 -1.17 -0.01 0.00 0.02 0.00 0.00 46.19 45.03 1r6o s LEU 22 CO 0.00 0.00 -0.16 -0.54 0.02 0.00 0.00 176.35 175.67 1r6o s LYS 23 N 1.11 1.24 0.66 1.70 1.02 -1.26 -5.13 119.74 119.08 1r6o s LYS 23 Ca -0.03 -0.61 -0.17 0.00 0.02 0.00 0.00 55.97 55.18 1r6o s LYS 23 Cb -0.14 -1.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.95 1r6o s LYS 23 CO -0.04 0.33 1.20 -2.14 -0.92 0.00 0.00 175.35 173.77 1r6o s PRO 24 N -0.52 2.61 0.65 -1.68 0.02 -1.26 -4.97 135.00 129.85 1r6o s PRO 24 Ca 0.06 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 62.66 1r6o s PRO 24 Cb -0.06 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1r6o s PRO 24 CO -0.00 -1.47 1.24 -2.14 -0.33 0.00 0.00 177.00 174.30 1r6o s PRO 25 N -3.66 2.59 0.56 5.54 0.02 -1.26 -5.00 135.00 133.80 1r6o s PRO 25 Ca 0.75 1.91 -0.07 0.00 0.02 0.00 0.00 61.00 63.62 1r6o s PRO 25 Cb -0.29 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 1r6o s PRO 25 CO 0.39 -1.52 0.89 -1.12 -0.33 0.00 0.00 177.00 175.31 1r6o s SER 26 N -1.61 5.94 0.53 2.53 0.01 -1.26 -4.94 113.70 114.90 1r6o s SER 26 Ca 0.79 0.93 -0.09 0.00 1.31 0.00 0.00 55.95 58.89 1r6o s SER 26 Cb -0.33 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1r6o s SER 26 CO 0.39 -0.86 0.89 -0.04 0.41 0.00 0.00 173.24 174.03 1r6o s MET 27 N -4.95 3.63 -0.01 12.44 -1.94 -1.26 -3.08 119.30 124.13 1r6o s MET 27 Ca 0.52 0.51 0.02 0.00 -1.71 0.00 0.00 55.69 55.02 1r6o s MET 27 Cb -0.11 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.49 1r6o s MET 27 CO 0.47 -0.33 -0.06 0.71 -0.01 0.00 0.00 175.02 175.80 1r6o s TYR 28 N -2.85 0.58 0.25 -0.03 1.51 0.15 -0.91 117.35 116.05 1r6o s TYR 28 Ca 0.52 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 56.17 1r6o s TYR 28 Cb -0.11 -0.41 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1r6o s TYR 28 CO 0.46 -0.04 0.93 0.15 -1.11 0.00 0.00 175.55 175.94 1r6o s LYS 29 N 0.05 4.78 -0.21 -0.62 1.02 0.11 -1.16 119.74 123.72 1r6o s LYS 29 Ca -0.00 1.43 -0.06 0.00 0.02 0.00 0.00 55.97 57.36 1r6o s LYS 29 Cb -0.05 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1r6o s LYS 29 CO -0.00 0.47 0.04 0.08 -0.92 0.00 0.00 175.35 175.02 1r6o s VAL 30 N -1.27 4.33 -0.00 3.17 1.01 0.61 -1.65 120.40 126.60 1r6o s VAL 30 Ca 0.43 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1r6o s VAL 30 Cb -0.24 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1r6o s VAL 30 CO 0.30 0.42 -0.22 -0.63 0.00 0.00 0.00 175.10 174.97 1r6o s ILE 31 N 0.93 2.46 -0.18 2.22 1.01 0.12 0.49 121.20 128.26 1r6o s ILE 31 Ca 0.03 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 1r6o s ILE 31 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1r6o s ILE 31 CO 0.02 0.49 0.04 -0.22 0.00 0.00 0.00 174.94 175.27 1r6o s LEU 32 N -0.93 3.62 -0.06 2.97 0.20 -0.38 -0.72 118.68 123.38 1r6o s LEU 32 Ca 0.12 -0.01 -0.02 0.00 0.69 0.00 0.00 54.13 54.90 1r6o s LEU 32 Cb -0.10 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 1r6o s LEU 32 CO 0.01 0.15 0.07 -0.69 -0.29 0.00 0.00 176.35 175.60 1r6o s VAL 33 N 0.51 4.75 0.53 1.68 1.01 -0.32 -1.78 120.40 126.78 1r6o s VAL 33 Ca 0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 1r6o s VAL 33 Cb -0.13 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1r6o s VAL 33 CO 0.01 0.51 1.08 0.21 0.00 0.00 0.00 175.10 176.92 1r6o s ASN 34 N -1.25 5.95 0.15 3.32 2.47 -0.38 -4.34 114.94 120.86 1r6o s ASN 34 Ca 0.17 2.03 -0.15 0.00 0.42 0.00 0.00 52.86 55.33 1r6o s ASN 34 Cb -0.12 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 37.14 1r6o s ASN 34 CO 0.07 -1.06 0.41 1.51 -3.72 0.00 0.00 177.10 174.32 1r6o s ASP 35 N -2.01 -0.18 0.00 -4.21 1.47 -1.26 -4.96 116.67 105.51 1r6o s ASP 35 Ca 0.69 -0.47 0.13 0.00 1.18 0.00 0.00 52.55 54.08 1r6o s ASP 35 Cb -0.20 0.50 0.42 0.00 -0.34 0.00 0.00 42.92 43.30 1r6o s ASP 35 CO 0.26 -0.92 1.33 0.47 0.68 0.00 0.00 175.17 176.99 1r6o n ASP 36 N -0.25 1.93 -0.02 2.11 8.00 -1.26 -4.41 116.55 122.65 1r6o n ASP 36 Ca -0.13 -1.94 -0.02 0.00 0.71 0.00 0.00 54.79 53.41 1r6o n ASP 36 Cb 0.63 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.54 0.00 -1.90 1.24 4.02 -1.26 -5.01 117.16 114.79 1r6o n TYR 37 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.60 1r6o n TYR 37 Cb 0.32 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 1r6o n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1r6o s THR 38 N -2.07 3.05 0.63 -0.72 2.01 -1.26 -4.97 115.64 112.31 1r6o s THR 38 Ca -0.04 0.44 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 1r6o s THR 38 Cb 0.01 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 1r6o s THR 38 CO 0.09 -0.01 1.23 -2.84 -0.69 0.00 0.00 174.62 172.41 1r6o s PRO 39 N 2.96 2.73 0.18 4.92 0.02 -1.26 -4.91 135.00 139.64 1r6o s PRO 39 Ca 0.76 1.87 -0.13 0.00 0.02 0.00 0.00 61.00 63.52 1r6o s PRO 39 Cb -0.40 -1.89 0.17 0.00 0.02 0.00 0.00 34.50 32.40 1r6o s PRO 39 CO 0.33 -1.41 1.73 1.98 -0.33 0.00 0.00 177.00 179.30 1r6o h MET 40 N 0.60 0.26 0.00 5.54 1.85 -2.01 -2.03 114.93 119.14 1r6o h MET 40 Ca -0.50 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 58.54 1r6o h MET 40 Cb 1.31 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.27 1r6o h MET 40 CO 0.54 0.17 -0.15 1.05 -0.40 0.00 0.00 176.91 178.12 1r6o h GLU 41 N 0.27 0.00 -0.20 0.39 4.11 -1.99 -2.38 114.58 114.78 1r6o h GLU 41 Ca 0.24 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.52 1r6o h GLU 41 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1r6o h GLU 41 CO -0.28 0.15 -0.50 0.35 0.07 0.00 0.00 179.01 178.80 1r6o h PHE 42 N 0.00 0.66 -0.36 2.06 3.57 -1.74 0.13 116.94 121.27 1r6o h PHE 42 Ca -0.00 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 1r6o h PHE 42 Cb 0.30 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1r6o h PHE 42 CO 0.00 0.93 -0.03 0.28 -2.23 0.00 0.00 178.31 177.26 1r6o h VAL 43 N 0.42 1.27 -0.45 1.41 2.07 -1.29 -0.58 116.25 119.09 1r6o h VAL 43 Ca 0.02 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1r6o h VAL 43 Cb 1.02 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1r6o h VAL 43 CO 0.09 0.34 0.17 0.40 0.02 0.00 0.00 177.57 178.60 1r6o h ILE 44 N 0.45 1.21 -0.19 4.57 2.04 -1.31 -1.35 117.51 122.92 1r6o h ILE 44 Ca 0.10 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1r6o h ILE 44 Cb 0.51 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1r6o h ILE 44 CO 0.02 0.24 -0.14 -0.78 0.00 0.00 0.00 178.15 177.50 1r6o h ASP 45 N 0.59 -0.45 -0.61 1.72 3.58 -0.59 -0.98 116.42 119.67 1r6o h ASP 45 Ca 0.15 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.71 1r6o h ASP 45 Cb 0.21 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 1r6o h ASP 45 CO -0.01 -0.18 0.39 0.58 -2.88 0.00 0.00 179.24 177.14 1r6o h VAL 46 N -0.14 1.12 -0.19 2.25 2.07 -0.82 0.94 116.25 121.47 1r6o h VAL 46 Ca 0.11 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1r6o h VAL 46 Cb 0.31 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1r6o h VAL 46 CO -0.28 0.14 -0.17 -0.07 0.02 0.00 0.00 177.57 177.21 1r6o h LEU 47 N 0.79 0.31 0.20 2.57 3.38 -0.85 -0.51 115.31 121.20 1r6o h LEU 47 Ca 0.23 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.86 1r6o h LEU 47 Cb -0.04 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 40.65 1r6o h LEU 47 CO -0.07 0.51 -1.20 1.56 0.09 0.00 0.00 178.44 179.33 1r6o h GLN 48 N 0.30 0.41 -0.09 1.13 4.20 -0.69 -2.82 115.11 117.56 1r6o h GLN 48 Ca 0.06 -0.71 -0.21 0.00 0.06 0.00 0.00 58.65 57.85 1r6o h GLN 48 Cb 0.48 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1r6o h GLN 48 CO 0.03 1.34 -0.80 -0.22 -0.67 0.00 0.00 178.83 178.51 1r6o h LYS 49 N -0.11 0.56 -0.00 1.46 3.64 -0.74 -2.76 116.57 118.62 1r6o h LYS 49 Ca -0.21 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1r6o h LYS 49 Cb 1.91 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1r6o h LYS 49 CO 0.21 1.11 -0.69 1.19 -2.27 0.00 0.00 179.45 179.00 1r6o n PHE 50 N -3.86 0.00 -0.49 1.91 3.72 -0.21 -4.57 117.46 113.96 1r6o n PHE 50 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1r6o n PHE 50 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.30 0.00 -2.09 1.38 3.72 -1.07 -5.04 117.46 113.05 1r6o n PHE 51 Ca 0.03 -0.03 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1r6o n PHE 51 Cb 0.23 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.03 -5.40 -4.81 4.37 7.64 -1.04 -4.96 113.62 109.39 1r6o n SER 52 Ca 0.00 0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.68 1r6o n SER 52 Cb 0.16 -4.49 -0.07 0.00 -1.01 0.00 0.00 64.21 58.80 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 -2.86 3.41 0.84 1.43 2.02 -1.17 -5.00 117.35 116.01 1r6o s TYR 53 Ca 0.00 1.64 -0.12 0.00 -0.37 0.00 0.00 57.07 58.22 1r6o s TYR 53 Cb 0.00 -2.86 0.10 0.00 -0.40 0.00 0.00 41.96 38.80 1r6o s TYR 53 CO 0.00 -0.02 1.15 0.16 -1.57 0.00 0.00 175.55 175.27 1r6o s ASP 54 N -2.04 4.18 0.25 2.29 1.47 -1.26 -4.37 116.67 117.20 1r6o s ASP 54 Ca 0.59 0.90 -0.03 0.00 1.18 0.00 0.00 52.55 55.19 1r6o s ASP 54 Cb -0.12 -1.46 0.46 0.00 -0.34 0.00 0.00 42.92 41.47 1r6o s ASP 54 CO 0.16 -2.12 1.78 0.58 0.68 0.00 0.00 175.17 176.25 1r6o h VAL 55 N -1.20 0.81 0.31 2.11 2.07 -1.97 -0.70 116.25 117.68 1r6o h VAL 55 Ca -0.48 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1r6o h VAL 55 Cb 1.32 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1r6o h VAL 55 CO 0.64 0.13 -0.15 -0.33 0.02 0.00 0.00 177.57 177.88 1r6o h GLU 56 N 0.69 -0.40 -0.12 1.57 3.07 -1.99 0.39 114.58 117.78 1r6o h GLU 56 Ca 0.43 0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.20 1r6o h GLU 56 Cb 0.52 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1r6o h GLU 56 CO -0.31 -0.26 -0.43 -0.09 -1.40 0.00 0.00 179.01 176.51 1r6o h ARG 57 N -0.42 0.28 -0.61 2.33 9.65 -1.90 -1.92 114.38 121.79 1r6o h ARG 57 Ca -0.04 -0.14 -0.07 0.00 -1.10 0.00 0.00 59.98 58.63 1r6o h ARG 57 Cb 0.32 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1r6o h ARG 57 CO 0.07 0.67 0.11 0.00 2.80 0.00 0.00 179.97 183.62 1r6o h ALA 58 N 1.32 0.81 -0.59 2.80 0.00 -0.95 -1.66 119.26 120.99 1r6o h ALA 58 Ca 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1r6o h ALA 58 Cb 0.86 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1r6o h ALA 58 CO 0.07 0.56 -0.02 1.15 0.00 0.00 0.00 179.25 181.00 1r6o h THR 59 N 0.92 1.27 -0.43 0.00 2.02 -0.65 -0.48 112.91 115.55 1r6o h THR 59 Ca 0.19 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1r6o h THR 59 Cb 0.41 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1r6o h THR 59 CO 0.01 0.43 0.15 1.56 0.37 0.00 0.00 175.52 178.04 1r6o h GLN 60 N 0.96 0.66 -0.55 6.66 4.20 -1.17 -1.72 115.11 124.14 1r6o h GLN 60 Ca 0.17 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1r6o h GLN 60 Cb 0.58 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1r6o h GLN 60 CO 0.03 0.63 0.03 -0.07 -0.67 0.00 0.00 178.83 178.78 1r6o h LEU 61 N 0.56 0.89 -0.77 1.46 3.38 -1.14 -0.73 115.31 118.96 1r6o h LEU 61 Ca 0.14 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1r6o h LEU 61 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1r6o h LEU 61 CO -0.01 0.93 0.50 -0.03 0.09 0.00 0.00 178.44 179.93 1r6o h MET 62 N 0.86 0.98 -0.29 1.13 4.05 -0.89 0.57 114.93 121.34 1r6o h MET 62 Ca 0.16 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 1r6o h MET 62 Cb 0.47 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1r6o h MET 62 CO 0.02 0.65 -0.23 -0.07 0.23 0.00 0.00 176.91 177.51 1r6o h LEU 63 N 1.01 0.55 -0.51 3.39 3.38 -0.84 -1.44 115.31 120.85 1r6o h LEU 63 Ca 0.29 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1r6o h LEU 63 Cb -0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1r6o h LEU 63 CO -0.08 0.78 0.05 0.00 0.09 0.00 0.00 178.44 179.28 1r6o h ALA 64 N 1.27 0.68 -0.78 1.53 0.00 -0.20 -0.43 119.26 121.34 1r6o h ALA 64 Ca 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1r6o h ALA 64 Cb 0.67 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1r6o h ALA 64 CO 0.05 0.45 0.50 0.28 0.00 0.00 0.00 179.25 180.53 1r6o h VAL 65 N 0.74 1.16 0.06 0.00 2.07 -0.61 0.31 116.25 119.98 1r6o h VAL 65 Ca 0.15 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1r6o h VAL 65 Cb 0.44 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1r6o h VAL 65 CO 0.02 0.18 -0.03 -0.74 0.02 0.00 0.00 177.57 177.02 1r6o h HIS 66 N 1.01 -0.07 0.12 1.57 6.17 -0.88 -0.77 115.15 122.30 1r6o h HIS 66 Ca 0.30 -0.00 -0.30 0.00 0.71 0.00 0.00 60.37 61.07 1r6o h HIS 66 Cb -0.06 0.02 -0.00 0.00 2.52 0.00 0.00 27.41 29.89 1r6o h HIS 66 CO -0.02 0.04 -1.48 1.88 0.71 0.00 0.00 177.93 179.06 1r6o h TYR 67 N -0.17 0.47 0.00 5.26 0.05 -0.96 -3.37 116.97 118.26 1r6o h TYR 67 Ca -0.01 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1r6o h TYR 67 Cb 0.14 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1r6o h TYR 67 CO -0.05 1.36 -0.91 1.04 -1.05 0.00 0.00 178.16 178.55 1r6o n GLN 68 N -3.47 0.15 0.00 4.88 6.02 0.11 -4.95 117.38 120.11 1r6o n GLN 68 Ca -0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1r6o n GLN 68 Cb 1.04 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.76 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 1.43 3.31 3.67 1.08 0.00 -0.30 -4.96 105.19 109.42 1r6o n GLY 69 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1r6o n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r6o s LYS 70 N -0.64 0.99 -0.17 1.61 -2.85 -1.20 -1.25 119.74 116.23 1r6o s LYS 70 Ca 0.00 -0.51 -0.24 0.00 -1.00 0.00 0.00 55.97 54.23 1r6o s LYS 70 Cb 0.00 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 36.20 1r6o s LYS 70 CO 0.00 -0.45 0.62 0.00 0.10 0.00 0.00 175.35 175.62 1r6o s ALA 71 N -3.13 -1.55 0.01 0.59 0.00 -0.74 -4.24 121.76 112.71 1r6o s ALA 71 Ca 0.10 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1r6o s ALA 71 Cb -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1r6o s ALA 71 CO -0.02 -0.31 1.04 0.42 0.00 0.00 0.00 175.76 176.89 1r6o s ILE 72 N -0.17 4.66 -0.12 0.00 1.01 -1.26 -1.25 121.20 124.07 1r6o s ILE 72 Ca -0.04 1.91 0.20 0.00 0.00 0.00 0.00 60.65 62.72 1r6o s ILE 72 Cb -0.03 -4.22 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 1r6o s ILE 72 CO 0.03 0.15 0.53 0.00 0.00 0.00 0.00 174.94 175.65 1r6o n GLY 74 N 1.39 0.84 3.09 0.00 0.00 -1.22 -4.98 105.19 104.31 1r6o n GLY 74 Ca -0.11 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 1.63 0.26 1.61 1.01 -1.26 -0.28 120.40 121.37 1r6o s VAL 75 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1r6o s VAL 75 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1r6o s VAL 75 CO 0.00 0.47 0.19 -0.36 0.00 0.00 0.00 175.10 175.40 1r6o s PHE 76 N 0.91 1.43 0.89 5.22 0.08 -0.31 -4.93 117.98 121.27 1r6o s PHE 76 Ca -0.07 -1.49 -0.10 0.00 0.12 0.00 0.00 56.93 55.38 1r6o s PHE 76 Cb -0.15 -0.64 0.13 0.00 -0.57 0.00 0.00 43.02 41.79 1r6o s PHE 76 CO -0.01 -0.72 1.12 0.95 -0.10 0.00 0.00 175.22 176.46 1r6o s THR 77 N -3.84 2.44 0.19 0.64 -4.23 -1.26 0.32 115.64 109.90 1r6o s THR 77 Ca 0.40 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.93 1r6o s THR 77 Cb 0.05 -2.32 0.12 0.00 1.34 0.00 0.00 72.50 71.69 1r6o s THR 77 CO 0.19 -0.19 1.74 0.00 -0.54 0.00 0.00 174.62 175.82 1r6o h ALA 78 N -1.71 0.66 -0.13 3.99 0.00 -1.87 0.12 119.26 120.32 1r6o h ALA 78 Ca -0.45 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1r6o h ALA 78 Cb 1.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1r6o h ALA 78 CO 0.45 -0.24 0.06 1.49 0.00 0.00 0.00 179.25 181.02 1r6o h GLU 79 N 0.34 0.13 -0.27 0.00 4.81 -1.90 -0.39 114.58 117.30 1r6o h GLU 79 Ca 0.27 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1r6o h GLU 79 Cb 0.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1r6o h GLU 79 CO -0.29 0.09 -0.48 0.28 -0.73 0.00 0.00 179.01 177.88 1r6o h VAL 80 N 0.14 1.29 -0.46 0.32 2.07 -1.84 -2.86 116.25 114.92 1r6o h VAL 80 Ca 0.05 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1r6o h VAL 80 Cb 0.01 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1r6o h VAL 80 CO -0.04 0.54 0.24 0.00 0.02 0.00 0.00 177.57 178.33 1r6o h ALA 81 N 0.87 0.59 -0.81 1.67 0.00 -0.61 -1.00 119.26 119.97 1r6o h ALA 81 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1r6o h ALA 81 Cb 1.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1r6o h ALA 81 CO 0.10 0.12 0.54 1.49 0.00 0.00 0.00 179.25 181.49 1r6o h GLU 82 N 0.60 1.06 -0.20 0.00 4.81 -1.04 -1.05 114.58 118.76 1r6o h GLU 82 Ca 0.16 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1r6o h GLU 82 Cb 0.07 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1r6o h GLU 82 CO -0.02 0.70 -0.12 1.15 -0.73 0.00 0.00 179.01 179.99 1r6o h THR 83 N 1.09 1.31 -0.69 0.32 2.02 -1.18 -1.90 112.91 113.88 1r6o h THR 83 Ca 0.30 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1r6o h THR 83 Cb -0.11 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1r6o h THR 83 CO -0.07 0.36 0.38 0.11 0.37 0.00 0.00 175.52 176.68 1r6o h LYS 84 N 0.13 0.95 -0.50 6.66 1.57 -0.92 -1.09 116.57 123.37 1r6o h LYS 84 Ca 0.04 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1r6o h LYS 84 Cb 0.62 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1r6o h LYS 84 CO 0.03 0.71 0.31 0.28 -0.57 0.00 0.00 179.45 180.21 1r6o h VAL 85 N 0.94 1.15 -0.66 0.50 2.07 -1.14 -1.31 116.25 117.80 1r6o h VAL 85 Ca 0.24 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1r6o h VAL 85 Cb 0.03 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1r6o h VAL 85 CO -0.04 0.15 0.07 0.00 0.02 0.00 0.00 177.57 177.77 1r6o h ALA 86 N 1.15 0.89 -0.46 1.67 0.00 -1.01 -1.60 119.26 119.90 1r6o h ALA 86 Ca 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1r6o h ALA 86 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1r6o h ALA 86 CO -0.04 0.67 0.11 0.52 0.00 0.00 0.00 179.25 180.52 1r6o h MET 87 N 1.03 0.73 -0.11 0.00 2.07 -0.94 -0.70 114.93 117.01 1r6o h MET 87 Ca 0.20 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 1r6o h MET 87 Cb 0.48 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1r6o h MET 87 CO 0.02 0.73 0.03 0.28 1.07 0.00 0.00 176.91 179.04 1r6o h VAL 88 N 0.61 1.18 -0.43 -2.22 2.07 -1.13 -1.85 116.25 114.47 1r6o h VAL 88 Ca 0.14 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1r6o h VAL 88 Cb 0.32 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1r6o h VAL 88 CO 0.00 0.16 0.13 0.78 0.02 0.00 0.00 177.57 178.66 1r6o h ASN 89 N -0.01 0.58 -0.32 0.57 2.35 -1.23 0.15 115.58 117.67 1r6o h ASN 89 Ca 0.04 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1r6o h ASN 89 Cb 0.22 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1r6o h ASN 89 CO -0.00 0.56 -0.18 0.50 -1.65 0.00 0.00 177.43 176.66 1r6o h LYS 90 N 0.62 0.69 -0.56 0.81 3.64 -1.06 -0.83 116.57 119.89 1r6o h LYS 90 Ca 0.15 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1r6o h LYS 90 Cb 0.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1r6o h LYS 90 CO -0.01 0.92 0.17 -0.92 -2.27 0.00 0.00 179.45 177.34 1r6o h TYR 91 N 0.46 0.90 -0.23 1.91 3.20 -0.78 0.13 116.97 122.57 1r6o h TYR 91 Ca 0.07 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1r6o h TYR 91 Cb 0.72 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1r6o h TYR 91 CO 0.06 0.76 0.10 0.00 -1.64 0.00 0.00 178.16 177.44 1r6o h ALA 92 N 1.04 0.29 -0.72 1.82 0.00 -0.93 -2.24 119.26 118.52 1r6o h ALA 92 Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1r6o h ALA 92 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1r6o h ALA 92 CO -0.01 -0.12 0.48 -0.09 0.00 0.00 0.00 179.25 179.51 1r6o h ARG 93 N 0.22 0.95 0.00 0.00 2.43 -0.93 -1.20 114.38 115.86 1r6o h ARG 93 Ca 0.08 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1r6o h ARG 93 Cb 0.16 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1r6o h ARG 93 CO -0.01 0.63 -0.19 0.93 -1.51 0.00 0.00 179.97 179.83 1r6o h GLU 94 N 0.98 0.00 -0.68 0.20 5.08 -0.83 -2.22 114.58 117.12 1r6o h GLU 94 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1r6o h GLU 94 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1r6o h GLU 94 CO -0.06 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.23 1r6o n ASN 95 N -3.97 4.24 -3.62 1.42 3.02 -0.82 -4.97 115.26 110.57 1r6o n ASN 95 Ca -0.02 -2.19 -0.25 0.00 -0.03 0.00 0.00 54.58 52.09 1r6o n ASN 95 Cb 0.27 -0.51 0.07 0.00 -0.61 0.00 0.00 39.78 39.00 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 1.36 -7.57 -5.04 3.52 1.02 -0.67 -5.01 120.64 108.25 1r6o n GLU 96 Ca 0.24 0.80 -0.28 0.00 -0.02 0.00 0.00 57.16 57.90 1r6o n GLU 96 Cb 0.73 -5.83 -0.15 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.31 2.05 -0.12 -0.32 3.76 -0.54 -5.03 115.29 111.78 1r6o s HIS 97 Ca 0.59 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1r6o s HIS 97 Cb -0.27 -1.30 0.14 0.00 1.11 0.00 0.00 32.58 32.26 1r6o s HIS 97 CO 0.73 0.00 1.44 -0.35 -0.85 0.00 0.00 174.74 175.72 1r6o n PRO 98 N 2.32 1.31 -2.16 8.40 -0.04 -1.26 -4.04 135.00 139.53 1r6o n PRO 98 Ca -0.16 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.18 1r6o n PRO 98 Cb 0.52 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.77 4.07 -0.20 1.53 2.96 -1.26 -4.93 118.68 120.08 1r6o s LEU 99 Ca 0.13 1.78 -0.08 0.00 -0.22 0.00 0.00 54.13 55.74 1r6o s LEU 99 Cb 0.11 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1r6o s LEU 99 CO 0.02 -1.06 0.09 -0.22 -1.32 0.00 0.00 176.35 173.86 1r6o s LEU 100 N 4.49 3.92 -0.11 -0.68 2.96 -1.26 -4.74 118.68 123.27 1r6o s LEU 100 Ca 0.68 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1r6o s LEU 100 Cb -0.26 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1r6o s LEU 100 CO 0.26 0.16 -0.06 0.00 -1.32 0.00 0.00 176.35 175.38 1r6o s THR 102 N -0.16 0.68 0.16 0.00 -4.23 0.10 -4.92 115.64 107.26 1r6o s THR 102 Ca 0.02 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1r6o s THR 102 Cb -0.13 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1r6o s THR 102 CO 0.03 0.00 -0.11 -1.48 -0.54 0.00 0.00 174.62 172.52 1r6o s LEU 103 N -3.45 2.53 -0.23 4.79 0.05 -1.26 0.16 118.68 121.27 1r6o s LEU 103 Ca 0.33 -1.02 -0.22 0.00 0.05 0.00 0.00 54.13 53.27 1r6o s LEU 103 Cb 0.06 -0.40 0.06 0.00 -2.05 0.00 0.00 46.19 43.87 1r6o s LEU 103 CO 0.15 -0.31 0.64 -0.70 -0.55 0.00 0.00 176.35 175.58 1r6o s GLU 104 N -3.73 0.75 0.23 1.48 2.12 -0.66 -4.96 118.70 113.94 1r6o s GLU 104 Ca 0.18 0.86 -0.31 0.00 0.36 0.00 0.00 54.97 56.05 1r6o s GLU 104 Cb 0.02 0.37 -0.13 0.00 0.26 0.00 0.00 34.13 34.65 1r6o s GLU 104 CO 0.02 -0.10 1.47 1.63 -0.54 0.00 0.00 175.26 177.74 1r6o n LYS 105 N 2.66 2.16 0.00 4.30 5.02 -1.26 0.09 118.16 131.12 1r6o n LYS 105 Ca -0.14 0.77 0.07 0.00 -2.02 0.00 0.00 58.31 56.99 1r6o n LYS 105 Cb 0.56 -2.47 0.43 0.00 -0.02 0.00 0.00 35.03 33.53 1r6o n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88