#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yn7 n ILE 1 N 0.00 0.24 -3.87 3.17 2.08 -1.26 -4.93 119.36 114.80 1yn7 n ILE 1 Ca 0.00 -0.32 -0.12 0.00 0.56 0.00 0.00 62.75 62.87 1yn7 n ILE 1 Cb 0.00 -1.95 -0.12 0.00 -0.75 0.00 0.00 39.64 36.82 1yn7 n ILE 1 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1yn7 s GLN 2 N 6.23 0.23 -0.07 0.38 -0.21 -1.26 -4.55 119.66 120.41 1yn7 s GLN 2 Ca 1.06 -0.10 -0.00 0.00 0.02 0.00 0.00 55.36 56.34 1yn7 s GLN 2 Cb -0.68 0.10 0.03 0.00 1.00 0.00 0.00 33.01 33.45 1yn7 s GLN 2 CO 0.45 -0.04 -0.02 0.15 -2.12 0.00 0.00 175.29 173.70 1yn7 s LYS 3 N -0.50 0.79 0.24 2.91 1.02 -0.65 -4.97 119.74 118.57 1yn7 s LYS 3 Ca -0.06 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1yn7 s LYS 3 Cb -0.04 -1.00 -0.09 0.00 -0.52 0.00 0.00 37.83 36.18 1yn7 s LYS 3 CO 0.00 -0.22 1.30 0.99 -0.92 0.00 0.00 175.35 176.50 1yn7 s THR 4 N 1.59 3.08 0.37 2.17 2.01 -1.26 -2.69 115.64 120.91 1yn7 s THR 4 Ca -0.00 0.94 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 1yn7 s THR 4 Cb -0.13 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 1yn7 s THR 4 CO -0.04 0.16 1.05 -2.16 -0.69 0.00 0.00 174.62 172.95 1yn7 s PRO 5 N -0.57 4.30 0.11 4.92 0.04 -1.26 -4.46 135.00 138.08 1yn7 s PRO 5 Ca 0.54 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 1yn7 s PRO 5 Cb -0.37 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1yn7 s PRO 5 CO 0.42 -0.03 0.43 -0.65 0.04 0.00 0.00 177.00 177.20 1yn7 s GLN 6 N -2.23 3.77 -0.03 4.56 -0.21 0.70 -4.90 119.66 121.31 1yn7 s GLN 6 Ca 0.54 0.18 0.03 0.00 0.02 0.00 0.00 55.36 56.13 1yn7 s GLN 6 Cb -0.24 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 30.84 1yn7 s GLN 6 CO 0.30 0.51 -0.10 0.42 -2.12 0.00 0.00 175.29 174.31 1yn7 s ILE 7 N -1.48 0.88 -0.05 1.08 1.01 -1.26 -1.15 121.20 120.24 1yn7 s ILE 7 Ca 0.36 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1yn7 s ILE 7 Cb -0.13 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1yn7 s ILE 7 CO 0.19 0.27 -0.09 -1.10 0.00 0.00 0.00 174.94 174.22 1yn7 s GLN 8 N 0.24 1.23 -0.16 2.79 -0.21 -0.47 -5.00 119.66 118.08 1yn7 s GLN 8 Ca -0.04 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.06 1yn7 s GLN 8 Cb -0.10 -1.09 0.02 0.00 1.00 0.00 0.00 33.01 32.84 1yn7 s GLN 8 CO 0.01 0.02 -0.19 0.08 -2.12 0.00 0.00 175.29 173.09 1yn7 s VAL 9 N 0.59 1.92 0.14 1.09 1.01 -1.26 -0.28 120.40 123.62 1yn7 s VAL 9 Ca -0.10 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1yn7 s VAL 9 Cb -0.13 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.58 1yn7 s VAL 9 CO 0.02 0.52 0.67 -0.72 0.00 0.00 0.00 175.10 175.59 1yn7 s TYR 10 N 1.21 -0.46 0.37 5.22 1.13 -0.26 -4.42 117.35 120.14 1yn7 s TYR 10 Ca 0.02 0.24 -0.09 0.00 -1.41 0.00 0.00 57.07 55.83 1yn7 s TYR 10 Cb -0.14 0.57 -0.06 0.00 -1.10 0.00 0.00 41.96 41.24 1yn7 s TYR 10 CO -0.10 -0.83 0.72 -1.54 -2.51 0.00 0.00 175.55 171.29 1yn7 s SER 11 N -2.73 6.51 0.05 -0.18 1.04 -1.26 0.62 113.70 117.76 1yn7 s SER 11 Ca 0.03 1.04 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 1yn7 s SER 11 Cb -0.01 -2.28 -0.14 0.00 0.10 0.00 0.00 66.02 63.68 1yn7 s SER 11 CO -0.10 -0.35 1.32 -0.09 0.98 0.00 0.00 173.24 175.00 1yn7 h ARG 12 N 1.38 0.49 -6.24 4.02 2.43 -1.46 -3.45 114.38 111.54 1yn7 h ARG 12 Ca -0.47 -0.30 -0.57 0.00 -0.81 0.00 0.00 59.98 57.82 1yn7 h ARG 12 Cb 1.19 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 1yn7 h ARG 12 CO 0.64 0.91 -0.66 -1.01 -1.51 0.00 0.00 179.97 178.34 1yn7 s HIS 13 N -4.09 2.69 0.31 2.20 3.76 -1.26 -5.06 115.29 113.83 1yn7 s HIS 13 Ca -0.13 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.28 1yn7 s HIS 13 Cb 0.06 -1.21 -0.13 0.00 1.11 0.00 0.00 32.58 32.40 1yn7 s HIS 13 CO 0.79 0.60 1.11 -2.30 -0.85 0.00 0.00 174.74 174.10 1yn7 n PRO 14 N -0.71 1.64 -2.45 8.40 -0.02 -1.26 -4.88 135.00 135.72 1yn7 n PRO 14 Ca -0.07 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1yn7 n PRO 14 Cb 0.58 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1yn7 n PRO 14 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yn7 s PRO 15 N -1.65 4.40 -0.22 0.52 0.02 -1.26 -5.01 135.00 131.79 1yn7 s PRO 15 Ca 0.58 1.71 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 1yn7 s PRO 15 Cb -0.65 -3.46 0.07 0.00 0.02 0.00 0.00 34.50 30.47 1yn7 s PRO 15 CO 0.61 -0.34 0.02 -1.21 -0.33 0.00 0.00 177.00 175.75 1yn7 s GLU 16 N 1.63 0.90 -0.07 5.54 2.02 -1.26 -5.10 118.70 122.36 1yn7 s GLU 16 Ca 0.57 -0.67 -0.39 0.00 0.02 0.00 0.00 54.97 54.51 1yn7 s GLU 16 Cb -0.27 -2.21 -0.17 0.00 0.10 0.00 0.00 34.13 31.58 1yn7 s GLU 16 CO 0.26 -0.69 1.45 0.09 0.02 0.00 0.00 175.26 176.39 1yn7 n ASN 17 N 4.92 1.67 0.00 -0.19 5.03 -1.26 -0.57 115.26 124.87 1yn7 n ASN 17 Ca -0.09 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.48 1yn7 n ASN 17 Cb 0.46 -1.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 1yn7 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yn7 n GLY 18 N 3.01 1.34 3.47 7.41 0.00 0.46 -4.97 105.19 115.91 1yn7 n GLY 18 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1yn7 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yn7 s LYS 19 N -0.73 3.67 0.44 1.61 1.02 0.26 -4.99 119.74 121.02 1yn7 s LYS 19 Ca 0.00 -0.49 -0.22 0.00 0.02 0.00 0.00 55.97 55.28 1yn7 s LYS 19 Cb 0.00 -3.16 -0.13 0.00 -0.52 0.00 0.00 37.83 34.03 1yn7 s LYS 19 CO 0.00 -0.01 0.48 -2.30 -0.92 0.00 0.00 175.35 172.59 1yn7 n PRO 20 N 4.34 0.49 -0.64 -1.68 -0.02 -1.26 -4.31 135.00 131.91 1yn7 n PRO 20 Ca -0.17 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1yn7 n PRO 20 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1yn7 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1yn7 n ASN 21 N 1.34 0.00 -3.84 2.55 2.85 0.53 -4.98 115.26 113.71 1yn7 n ASN 21 Ca 0.11 -0.60 -0.20 0.00 -0.11 0.00 0.00 54.58 53.79 1yn7 n ASN 21 Cb 0.41 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.26 1yn7 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1yn7 s ILE 22 N -2.89 0.39 -0.16 -1.44 1.01 -1.26 -2.11 121.20 114.73 1yn7 s ILE 22 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1yn7 s ILE 22 Cb 0.00 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1yn7 s ILE 22 CO 0.00 0.21 0.24 -0.22 0.00 0.00 0.00 174.94 175.16 1yn7 s LEU 23 N 1.17 4.25 -0.02 2.97 2.96 0.37 -1.04 118.68 129.34 1yn7 s LEU 23 Ca -0.07 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1yn7 s LEU 23 Cb -0.14 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1yn7 s LEU 23 CO -0.02 0.15 -0.06 0.20 -1.32 0.00 0.00 176.35 175.31 1yn7 s ASN 24 N 0.27 4.68 -0.35 3.68 0.01 0.20 -1.75 114.94 121.68 1yn7 s ASN 24 Ca 0.14 -0.09 0.01 0.00 -0.71 0.00 0.00 52.86 52.22 1yn7 s ASN 24 Cb -0.12 -1.13 0.11 0.00 0.41 0.00 0.00 41.25 40.51 1yn7 s ASN 24 CO 0.02 0.31 0.12 0.00 -1.51 0.00 0.00 177.10 176.05 1yn7 s TYR 26 N 1.12 3.16 -0.20 0.00 5.04 0.62 -1.71 117.35 125.39 1yn7 s TYR 26 Ca 0.12 -0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.67 1yn7 s TYR 26 Cb -0.19 -2.94 -0.02 0.00 0.35 0.00 0.00 41.96 39.15 1yn7 s TYR 26 CO -0.15 -0.61 0.00 0.08 -1.34 0.00 0.00 175.55 173.53 1yn7 s VAL 27 N 2.33 3.99 0.34 3.14 1.01 -0.82 -1.37 120.40 129.02 1yn7 s VAL 27 Ca 0.16 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1yn7 s VAL 27 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1yn7 s VAL 27 CO 0.14 0.43 0.18 0.42 0.00 0.00 0.00 175.10 176.27 1yn7 s THR 28 N 0.98 0.33 -1.44 3.92 -4.23 -0.30 -1.46 115.64 113.45 1yn7 s THR 28 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1yn7 s THR 28 Cb -0.14 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1yn7 s THR 28 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1yn7 n GLN 29 N -0.69 -1.89 -4.21 3.99 1.13 -0.95 -0.22 117.38 114.54 1yn7 n GLN 29 Ca 0.01 0.81 -0.23 0.00 -1.94 0.00 0.00 57.00 55.65 1yn7 n GLN 29 Cb 0.64 -5.40 -0.06 0.00 0.11 0.00 0.00 30.24 25.54 1yn7 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1yn7 s PHE 30 N -2.75 2.84 -0.28 1.08 -0.12 -1.17 -4.38 117.98 113.21 1yn7 s PHE 30 Ca 0.00 -0.20 -0.22 0.00 -0.05 0.00 0.00 56.93 56.47 1yn7 s PHE 30 Cb 0.00 -1.30 0.11 0.00 -0.63 0.00 0.00 43.02 41.20 1yn7 s PHE 30 CO 0.00 0.56 0.93 -1.58 -0.05 0.00 0.00 175.22 175.08 1yn7 s HIS 31 N -2.27 -0.61 1.09 3.49 2.46 -1.09 -1.45 115.29 116.91 1yn7 s HIS 31 Ca 0.32 1.39 -0.12 0.00 0.47 0.00 0.00 55.06 57.12 1yn7 s HIS 31 Cb -0.07 0.38 0.24 0.00 -0.13 0.00 0.00 32.58 33.00 1yn7 s HIS 31 CO 0.22 -0.30 1.06 -2.14 -2.47 0.00 0.00 174.74 171.11 1yn7 s PRO 32 N 0.67 -0.35 0.37 2.88 0.02 -1.26 -1.64 135.00 135.69 1yn7 s PRO 32 Ca -0.02 1.05 0.12 0.00 0.02 0.00 0.00 61.00 62.18 1yn7 s PRO 32 Cb -0.05 -1.60 0.73 0.00 0.02 0.00 0.00 34.50 33.60 1yn7 s PRO 32 CO -0.09 -3.41 1.84 -1.00 -0.33 0.00 0.00 177.00 174.01 1yn7 h PRO 33 N -2.41 0.03 -6.45 5.54 0.13 -2.00 -3.44 132.00 123.40 1yn7 h PRO 33 Ca -0.56 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 63.99 1yn7 h PRO 33 Cb 1.31 -0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.48 1yn7 h PRO 33 CO 0.48 0.37 1.02 1.58 -0.23 0.00 0.00 178.00 181.22 1yn7 n HIS 34 N -4.12 2.46 -3.61 1.56 -0.00 -1.26 -4.96 115.22 105.29 1yn7 n HIS 34 Ca -0.02 -0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.00 1yn7 n HIS 34 Cb 0.39 -2.66 -0.07 0.00 -0.12 0.00 0.00 29.99 27.53 1yn7 n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1yn7 s ILE 35 N 2.55 0.03 -0.14 3.57 2.07 -1.26 -4.65 121.20 123.36 1yn7 s ILE 35 Ca 0.84 -0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 1yn7 s ILE 35 Cb -0.59 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.15 1yn7 s ILE 35 CO 0.41 -0.12 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.55 1yn7 s GLU 36 N -1.55 2.46 -0.01 3.50 2.02 -0.58 -5.02 118.70 119.53 1yn7 s GLU 36 Ca -0.10 -0.63 0.08 0.00 0.02 0.00 0.00 54.97 54.34 1yn7 s GLU 36 Cb -0.02 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 1yn7 s GLU 36 CO 0.05 -0.17 -0.26 0.42 0.02 0.00 0.00 175.26 175.33 1yn7 s ILE 37 N 1.27 2.11 0.01 -1.63 1.01 -1.26 -0.54 121.20 122.17 1yn7 s ILE 37 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1yn7 s ILE 37 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1yn7 s ILE 37 CO -0.08 0.53 -0.02 -1.10 0.00 0.00 0.00 174.94 174.27 1yn7 s GLN 38 N -0.75 0.21 -0.04 2.79 -0.21 -0.34 -4.99 119.66 116.32 1yn7 s GLN 38 Ca 0.10 -0.36 0.05 0.00 0.02 0.00 0.00 55.36 55.17 1yn7 s GLN 38 Cb -0.10 0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.90 1yn7 s GLN 38 CO -0.00 -0.02 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.34 1yn7 s MET 39 N -0.82 2.43 0.08 2.91 -1.94 -1.26 0.32 119.30 121.01 1yn7 s MET 39 Ca -0.08 -0.76 0.07 0.00 -1.71 0.00 0.00 55.69 53.20 1yn7 s MET 39 Cb -0.06 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 1yn7 s MET 39 CO -0.00 0.59 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.90 1yn7 s LEU 40 N -0.66 2.26 -0.19 -0.03 1.43 0.15 -1.51 118.68 120.14 1yn7 s LEU 40 Ca 0.10 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1yn7 s LEU 40 Cb -0.11 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.39 1yn7 s LEU 40 CO 0.00 0.03 -0.12 -0.75 0.23 0.00 0.00 176.35 175.74 1yn7 s LYS 41 N -1.68 2.22 -1.57 1.70 2.20 -0.36 -0.58 119.74 121.66 1yn7 s LYS 41 Ca 0.04 -0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 54.71 1yn7 s LYS 41 Cb -0.10 -2.37 0.10 0.00 -1.51 0.00 0.00 37.83 33.96 1yn7 s LYS 41 CO 0.03 -0.36 0.92 0.09 -0.36 0.00 0.00 175.35 175.67 1yn7 n ASN 42 N 4.69 -4.45 -0.00 1.43 3.02 0.53 -1.09 115.26 119.39 1yn7 n ASN 42 Ca -0.16 -0.82 -0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1yn7 n ASN 42 Cb 0.48 -3.57 -0.00 0.00 -0.61 0.00 0.00 39.78 36.07 1yn7 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yn7 n GLY 43 N -1.59 0.39 3.37 7.41 0.00 -1.26 -5.01 105.19 108.49 1yn7 n GLY 43 Ca 0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1yn7 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yn7 s LYS 44 N -0.46 2.98 0.29 1.61 2.20 -0.25 -5.05 119.74 121.06 1yn7 s LYS 44 Ca 0.00 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 1yn7 s LYS 44 Cb 0.00 -2.46 -0.12 0.00 -1.51 0.00 0.00 37.83 33.74 1yn7 s LYS 44 CO 0.00 0.35 1.50 1.63 -0.36 0.00 0.00 175.35 178.47 1yn7 n LYS 45 N 3.10 2.44 -3.25 4.03 5.02 -1.26 -1.23 118.16 127.00 1yn7 n LYS 45 Ca -0.18 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 1yn7 n LYS 45 Cb 0.52 -2.58 -0.06 0.00 -0.02 0.00 0.00 35.03 32.89 1yn7 n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1yn7 s ILE 46 N -0.22 5.12 0.73 -0.18 1.01 -0.57 -4.84 121.20 122.25 1yn7 s ILE 46 Ca 0.64 1.08 -0.11 0.00 0.00 0.00 0.00 60.65 62.26 1yn7 s ILE 46 Cb -0.55 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1yn7 s ILE 46 CO 0.51 0.33 1.07 -2.16 0.00 0.00 0.00 174.94 174.70 1yn7 s PRO 47 N 0.47 2.63 -1.45 2.79 0.04 -1.26 -4.13 135.00 134.10 1yn7 s PRO 47 Ca 0.29 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.15 1yn7 s PRO 47 Cb -0.16 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1yn7 s PRO 47 CO 0.13 -1.29 0.60 1.63 0.04 0.00 0.00 177.00 178.11 1yn7 n LYS 48 N -3.25 -3.90 -2.82 4.56 5.02 -1.26 -4.94 118.16 111.58 1yn7 n LYS 48 Ca 0.07 0.47 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 1yn7 n LYS 48 Cb 0.54 -4.87 -0.05 0.00 -0.02 0.00 0.00 35.03 30.64 1yn7 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yn7 s VAL 49 N -3.72 4.54 -0.04 -0.18 1.01 -1.26 -4.79 120.40 115.96 1yn7 s VAL 49 Ca 0.19 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 1yn7 s VAL 49 Cb -0.10 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1yn7 s VAL 49 CO 0.87 0.35 0.05 -1.61 0.00 0.00 0.00 175.10 174.76 1yn7 s GLU 50 N -0.14 3.03 -0.07 2.72 2.02 0.10 -4.94 118.70 121.43 1yn7 s GLU 50 Ca 0.43 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 55.03 1yn7 s GLU 50 Cb -0.23 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 1yn7 s GLU 50 CO 0.28 0.68 -0.20 -1.64 0.02 0.00 0.00 175.26 174.39 1yn7 s MET 51 N -1.33 2.68 0.95 1.61 -1.94 -1.26 -0.27 119.30 119.73 1yn7 s MET 51 Ca 0.18 -0.81 -0.16 0.00 -1.71 0.00 0.00 55.69 53.19 1yn7 s MET 51 Cb -0.12 -2.30 0.23 0.00 2.01 0.00 0.00 34.83 34.65 1yn7 s MET 51 CO 0.08 0.42 1.07 -1.13 -0.01 0.00 0.00 175.02 175.45 1yn7 n SER 52 N 2.88 -0.80 -4.90 3.03 3.41 0.50 -5.01 113.62 112.73 1yn7 n SER 52 Ca -0.17 -1.27 -0.29 0.00 -0.26 0.00 0.00 58.87 56.88 1yn7 n SER 52 Cb 0.52 -0.88 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 1yn7 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1yn7 s ASP 53 N -4.72 6.43 0.54 4.04 1.01 -1.26 -4.74 116.67 117.96 1yn7 s ASP 53 Ca 0.64 0.88 -0.16 0.00 0.71 0.00 0.00 52.55 54.62 1yn7 s ASP 53 Cb -0.04 -2.22 -0.07 0.00 1.01 0.00 0.00 42.92 41.61 1yn7 s ASP 53 CO 0.47 -0.34 1.00 -0.32 0.21 0.00 0.00 175.17 176.19 1yn7 s MET 54 N -3.91 3.80 0.36 8.23 1.75 -1.26 -4.71 119.30 123.55 1yn7 s MET 54 Ca 0.47 0.97 -0.07 0.00 -1.25 0.00 0.00 55.69 55.81 1yn7 s MET 54 Cb -0.10 -2.11 0.02 0.00 2.84 0.00 0.00 34.83 35.48 1yn7 s MET 54 CO 0.33 -0.40 0.59 -1.12 -0.65 0.00 0.00 175.02 173.77 1yn7 s SER 55 N -3.17 0.61 0.04 1.11 0.01 -0.92 -5.02 113.70 106.37 1yn7 s SER 55 Ca 0.59 -1.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 1yn7 s SER 55 Cb -0.11 0.73 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 1yn7 s SER 55 CO 0.35 -1.44 -0.02 0.72 0.41 0.00 0.00 173.24 173.26 1yn7 s PHE 56 N -2.79 0.39 0.79 2.43 -0.12 -1.26 -0.92 117.98 116.50 1yn7 s PHE 56 Ca 0.25 -0.80 -0.04 0.00 -0.05 0.00 0.00 56.93 56.30 1yn7 s PHE 56 Cb -0.02 -0.29 0.16 0.00 -0.63 0.00 0.00 43.02 42.24 1yn7 s PHE 56 CO 0.17 -0.30 1.08 -1.12 -0.05 0.00 0.00 175.22 175.01 1yn7 s SER 57 N -2.24 3.95 0.53 1.98 0.01 0.13 -4.91 113.70 113.15 1yn7 s SER 57 Ca -0.04 -0.35 0.21 0.00 1.31 0.00 0.00 55.95 57.08 1yn7 s SER 57 Cb -0.00 0.13 1.38 0.00 0.21 0.00 0.00 66.02 67.73 1yn7 s SER 57 CO -0.06 -2.15 2.09 0.50 0.41 0.00 0.00 173.24 174.03 1yn7 h LYS 58 N -0.82 0.00 -0.21 12.44 1.63 -2.02 0.14 116.57 127.73 1yn7 h LYS 58 Ca -0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1yn7 h LYS 58 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1yn7 h LYS 58 CO 0.37 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.97 1yn7 n ASP 59 N -4.38 1.41 0.00 4.20 5.68 -1.26 -4.92 116.55 117.28 1yn7 n ASP 59 Ca 0.02 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1yn7 n ASP 59 Cb 0.31 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1yn7 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1yn7 n TRP 60 N 0.21 0.00 -2.09 2.11 7.02 0.50 -5.03 117.44 120.17 1yn7 n TRP 60 Ca 0.12 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.22 1yn7 n TRP 60 Cb 0.25 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 1yn7 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1yn7 s SER 61 N -1.40 6.11 0.52 -0.99 1.04 -1.26 -4.54 113.70 113.17 1yn7 s SER 61 Ca 0.00 2.54 -0.05 0.00 0.48 0.00 0.00 55.95 58.92 1yn7 s SER 61 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1yn7 s SER 61 CO 0.00 -0.98 0.82 -0.36 0.98 0.00 0.00 173.24 173.70 1yn7 s PHE 62 N -1.37 3.45 0.05 5.02 0.40 -0.53 0.22 117.98 125.22 1yn7 s PHE 62 Ca 0.61 0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 57.52 1yn7 s PHE 62 Cb -0.35 -2.45 0.03 0.00 0.51 0.00 0.00 43.02 40.76 1yn7 s PHE 62 CO 0.43 -0.46 0.36 1.52 0.70 0.00 0.00 175.22 177.77 1yn7 s TYR 63 N -2.82 -0.19 -0.02 0.36 1.13 -0.10 -2.24 117.35 113.48 1yn7 s TYR 63 Ca 0.50 0.08 -0.24 0.00 -1.41 0.00 0.00 57.07 55.99 1yn7 s TYR 63 Cb -0.10 0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.97 1yn7 s TYR 63 CO 0.45 -0.55 0.53 -1.50 -2.51 0.00 0.00 175.55 171.96 1yn7 s ILE 64 N -2.62 0.02 -0.17 -3.49 2.07 -0.53 -2.17 121.20 114.31 1yn7 s ILE 64 Ca -0.04 -0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 1yn7 s ILE 64 Cb -0.01 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1yn7 s ILE 64 CO -0.04 -0.11 -0.18 -0.22 -1.91 0.00 0.00 174.94 172.48 1yn7 s LEU 65 N -1.41 2.25 -0.03 8.50 2.96 -1.26 -1.95 118.68 127.75 1yn7 s LEU 65 Ca -0.10 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 1yn7 s LEU 65 Cb -0.02 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1yn7 s LEU 65 CO 0.06 0.03 0.01 0.00 -1.32 0.00 0.00 176.35 175.13 1yn7 s ALA 66 N 1.12 3.32 0.03 5.97 0.00 -0.69 -0.37 121.76 131.13 1yn7 s ALA 66 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1yn7 s ALA 66 Cb -0.14 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.62 1yn7 s ALA 66 CO -0.07 0.64 0.54 -3.38 0.00 0.00 0.00 175.76 173.48 1yn7 s HIS 67 N -1.04 -0.46 0.17 0.00 -3.43 0.62 -0.16 115.29 110.99 1yn7 s HIS 67 Ca 0.18 0.58 -0.16 0.00 -0.80 0.00 0.00 55.06 54.86 1yn7 s HIS 67 Cb -0.12 0.34 0.03 0.00 -1.43 0.00 0.00 32.58 31.41 1yn7 s HIS 67 CO 0.08 -0.63 0.45 -0.08 -2.00 0.00 0.00 174.74 172.57 1yn7 s THR 68 N -2.16 0.04 0.38 -5.38 -1.32 -0.72 0.01 115.64 106.49 1yn7 s THR 68 Ca -0.07 -0.79 -0.23 0.00 -1.21 0.00 0.00 61.69 59.39 1yn7 s THR 68 Cb -0.01 -1.47 -0.10 0.00 -1.51 0.00 0.00 72.50 69.40 1yn7 s THR 68 CO 0.01 -0.20 0.95 -1.61 -2.21 0.00 0.00 174.62 171.55 1yn7 s GLU 69 N -3.86 4.37 0.13 7.08 2.02 -1.26 -0.48 118.70 126.70 1yn7 s GLU 69 Ca 0.08 1.22 -0.25 0.00 0.02 0.00 0.00 54.97 56.05 1yn7 s GLU 69 Cb 0.00 -2.45 0.07 0.00 0.10 0.00 0.00 34.13 31.86 1yn7 s GLU 69 CO -0.06 0.09 0.73 -0.59 0.02 0.00 0.00 175.26 175.46 1yn7 s PHE 70 N -1.92 -0.40 -0.21 1.61 -0.71 -0.90 -4.81 117.98 110.65 1yn7 s PHE 70 Ca 0.57 0.17 -0.00 0.00 -1.04 0.00 0.00 56.93 56.62 1yn7 s PHE 70 Cb -0.14 0.58 0.05 0.00 -1.21 0.00 0.00 43.02 42.31 1yn7 s PHE 70 CO 0.18 -0.82 -0.05 0.99 -1.34 0.00 0.00 175.22 174.19 1yn7 s THR 71 N -3.55 1.28 0.44 -4.49 2.01 -1.26 -0.35 115.64 109.72 1yn7 s THR 71 Ca 0.05 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 1yn7 s THR 71 Cb -0.02 -1.54 -0.08 0.00 0.01 0.00 0.00 72.50 70.88 1yn7 s THR 71 CO -0.08 -0.02 1.17 -2.16 -0.69 0.00 0.00 174.62 172.84 1yn7 s PRO 72 N 1.53 3.86 0.18 4.92 0.04 -1.26 -4.83 135.00 139.43 1yn7 s PRO 72 Ca -0.03 1.80 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1yn7 s PRO 72 Cb -0.17 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1yn7 s PRO 72 CO -0.07 -0.47 0.12 0.25 0.04 0.00 0.00 177.00 176.86 1yn7 n THR 73 N -0.29 0.00 0.09 1.26 -2.24 -1.26 -0.41 114.28 111.43 1yn7 n THR 73 Ca 0.06 -1.20 -0.14 0.00 -2.27 0.00 0.00 64.05 60.51 1yn7 n THR 73 Cb 0.47 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 69.11 1yn7 n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1yn7 h GLU 74 N 0.00 0.20 0.00 -0.78 5.08 -1.97 -3.40 114.58 113.71 1yn7 h GLU 74 Ca -0.13 -0.34 -0.19 0.00 -1.00 0.00 0.00 59.36 57.69 1yn7 h GLU 74 Cb 0.60 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1yn7 h GLU 74 CO 0.20 1.15 -1.91 0.25 -1.00 0.00 0.00 179.01 177.69 1yn7 n THR 75 N -3.47 0.72 -2.29 1.13 -2.24 -1.26 -5.00 114.28 101.86 1yn7 n THR 75 Ca -0.07 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 1yn7 n THR 75 Cb 1.01 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 1yn7 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yn7 s ASP 76 N -4.50 6.90 0.13 3.42 1.01 -1.26 -5.04 116.67 117.33 1yn7 s ASP 76 Ca -0.07 2.45 0.05 0.00 0.71 0.00 0.00 52.55 55.69 1yn7 s ASP 76 Cb 0.06 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1yn7 s ASP 76 CO 0.61 -0.42 0.06 0.42 0.21 0.00 0.00 175.17 176.04 1yn7 s THR 77 N -1.22 4.19 -0.01 -1.27 -4.23 -1.26 -4.68 115.64 107.16 1yn7 s THR 77 Ca 0.49 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1yn7 s THR 77 Cb -0.35 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 1yn7 s THR 77 CO 0.45 -0.01 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.13 1yn7 s TYR 78 N -1.58 0.66 0.26 3.99 1.51 -1.26 -0.34 117.35 120.60 1yn7 s TYR 78 Ca 0.28 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.17 1yn7 s TYR 78 Cb -0.11 -0.43 -0.01 0.00 -0.11 0.00 0.00 41.96 41.30 1yn7 s TYR 78 CO 0.21 -0.01 0.36 0.00 -1.11 0.00 0.00 175.55 175.00 1yn7 s ALA 79 N -0.16 0.57 -0.07 3.71 0.00 0.26 0.14 121.76 126.21 1yn7 s ALA 79 Ca 0.03 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 1yn7 s ALA 79 Cb -0.03 1.21 0.02 0.00 0.00 0.00 0.00 23.12 24.33 1yn7 s ALA 79 CO -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 175.76 174.97 1yn7 s ARG 81 N 1.43 3.58 -0.11 0.00 3.52 0.15 -0.84 118.95 126.67 1yn7 s ARG 81 Ca -0.03 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 1yn7 s ARG 81 Cb -0.13 -2.87 -0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1yn7 s ARG 81 CO -0.03 0.18 -0.22 0.08 -0.81 0.00 0.00 175.30 174.50 1yn7 s VAL 82 N 0.50 2.23 -0.26 7.11 1.01 0.16 -1.19 120.40 129.96 1yn7 s VAL 82 Ca -0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 1yn7 s VAL 82 Cb -0.15 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1yn7 s VAL 82 CO 0.03 0.55 0.00 -0.75 0.00 0.00 0.00 175.10 174.93 1yn7 s LYS 83 N 0.43 3.11 -0.02 2.72 2.20 0.30 -0.21 119.74 128.26 1yn7 s LYS 83 Ca -0.16 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.61 1yn7 s LYS 83 Cb -0.17 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1yn7 s LYS 83 CO 0.07 -0.35 0.06 -1.58 -0.36 0.00 0.00 175.35 173.18 1yn7 s HIS 84 N 1.44 -0.02 -0.35 4.03 2.46 -1.26 -1.53 115.29 120.06 1yn7 s HIS 84 Ca 0.03 0.05 0.12 0.00 0.47 0.00 0.00 55.06 55.73 1yn7 s HIS 84 Cb -0.16 -0.01 0.64 0.00 -0.13 0.00 0.00 32.58 32.92 1yn7 s HIS 84 CO -0.01 -0.08 1.30 -0.40 -2.47 0.00 0.00 174.74 173.08 1yn7 n ASP 85 N 2.71 0.31 -0.01 9.88 3.85 -1.26 -0.90 116.55 131.12 1yn7 n ASP 85 Ca -0.15 0.58 0.14 0.00 -0.71 0.00 0.00 54.79 54.66 1yn7 n ASP 85 Cb 0.59 -0.60 0.69 0.00 -1.35 0.00 0.00 41.12 40.45 1yn7 n ASP 85 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1yn7 n SER 86 N -1.91 0.05 -4.21 -1.12 3.41 -1.26 -4.78 113.62 103.80 1yn7 n SER 86 Ca -0.01 0.05 -0.26 0.00 -0.26 0.00 0.00 58.87 58.39 1yn7 n SER 86 Cb 0.13 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.60 1yn7 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yn7 s MET 87 N -2.73 1.51 0.44 4.33 1.00 -0.08 -4.84 119.30 118.93 1yn7 s MET 87 Ca 0.23 -0.75 0.12 0.00 0.00 0.00 0.00 55.69 55.29 1yn7 s MET 87 Cb 0.20 -1.50 0.97 0.00 0.00 0.00 0.00 34.83 34.50 1yn7 s MET 87 CO 0.49 0.40 2.01 0.00 0.00 0.00 0.00 175.02 177.92 1yn7 h ALA 88 N 5.45 1.70 -2.51 3.03 0.00 -1.86 -3.44 119.26 121.63 1yn7 h ALA 88 Ca -0.39 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1yn7 h ALA 88 Cb 1.15 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 1yn7 h ALA 88 CO 0.47 0.23 -0.42 -1.83 0.00 0.00 0.00 179.25 177.70 1yn7 s GLU 89 N -4.86 0.76 0.32 0.00 1.03 -1.26 -5.12 118.70 109.57 1yn7 s GLU 89 Ca -0.05 -0.88 -0.28 0.00 0.03 0.00 0.00 54.97 53.79 1yn7 s GLU 89 Cb 0.16 0.30 -0.13 0.00 -0.80 0.00 0.00 34.13 33.67 1yn7 s GLU 89 CO 0.71 -0.22 1.11 -2.30 -1.33 0.00 0.00 175.26 173.22 1yn7 n PRO 90 N 0.22 1.63 -4.10 -4.83 -0.02 -1.26 -4.88 135.00 121.76 1yn7 n PRO 90 Ca -0.16 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 1yn7 n PRO 90 Cb 0.61 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 1yn7 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1yn7 s LYS 91 N -1.72 3.83 -0.22 -0.52 2.20 0.70 -4.87 119.74 119.14 1yn7 s LYS 91 Ca 0.58 -0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1yn7 s LYS 91 Cb -0.64 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1yn7 s LYS 91 CO 0.60 0.20 -0.01 0.99 -0.36 0.00 0.00 175.35 176.77 1yn7 s THR 92 N 0.54 3.70 -0.15 3.43 2.01 -1.26 0.37 115.64 124.28 1yn7 s THR 92 Ca 0.01 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1yn7 s THR 92 Cb -0.13 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1yn7 s THR 92 CO 0.02 0.41 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 1yn7 s VAL 93 N 1.31 2.85 0.28 3.82 1.01 -0.02 -4.95 120.40 124.69 1yn7 s VAL 93 Ca 0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1yn7 s VAL 93 Cb -0.15 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1yn7 s VAL 93 CO -0.00 0.51 0.73 -0.31 0.00 0.00 0.00 175.10 176.02 1yn7 s TYR 94 N 0.72 3.48 0.05 5.22 1.51 -1.26 -0.83 117.35 126.24 1yn7 s TYR 94 Ca -0.06 1.28 -0.30 0.00 -1.01 0.00 0.00 57.07 56.97 1yn7 s TYR 94 Cb -0.15 -2.56 -0.05 0.00 -0.11 0.00 0.00 41.96 39.09 1yn7 s TYR 94 CO 0.02 0.19 1.14 -0.46 -1.11 0.00 0.00 175.55 175.33 1yn7 s TRP 95 N -1.80 3.50 -0.26 2.71 -0.00 0.12 -4.87 118.94 118.35 1yn7 s TRP 95 Ca 0.49 1.42 0.03 0.00 -0.00 0.00 0.00 56.10 58.04 1yn7 s TRP 95 Cb -0.13 -3.33 0.06 0.00 -0.00 0.00 0.00 33.47 30.07 1yn7 s TRP 95 CO 0.19 -0.92 -0.11 0.34 -0.00 0.00 0.00 176.95 176.45 1yn7 s ASP 96 N 1.02 4.39 0.52 5.86 -1.08 -1.26 -4.78 116.67 121.33 1yn7 s ASP 96 Ca 0.57 -1.37 0.33 0.00 -0.52 0.00 0.00 52.55 51.56 1yn7 s ASP 96 Cb -0.27 -1.53 1.80 0.00 -1.46 0.00 0.00 42.92 41.46 1yn7 s ASP 96 CO 0.29 -0.19 2.01 0.08 0.52 0.00 0.00 175.17 177.88 1yn7 h ARG 97 N 7.78 0.00 -0.14 4.34 0.11 -1.95 0.43 114.38 124.95 1yn7 h ARG 97 Ca -0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.88 1yn7 h ARG 97 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1yn7 h ARG 97 CO 0.46 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.28 1yn7 n ASP 98 N -2.69 1.55 0.00 0.08 8.00 -1.26 -4.92 116.55 117.31 1yn7 n ASP 98 Ca -0.02 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1yn7 n ASP 98 Cb 0.09 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1yn7 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04