#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yws s SER 2 N 0.00 1.52 -0.30 7.83 0.01 -1.26 -5.11 113.70 116.40 1yws s SER 2 Ca 0.00 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.14 1yws s SER 2 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 1yws s SER 2 CO 0.00 -0.26 1.38 0.42 0.41 0.00 0.00 173.24 175.19 1yws s THR 3 N -2.49 4.02 -0.34 1.44 -4.23 -1.26 -4.79 115.64 108.00 1yws s THR 3 Ca 0.07 1.14 0.22 0.00 -1.18 0.00 0.00 61.69 61.93 1yws s THR 3 Cb -0.03 -4.07 0.20 0.00 1.34 0.00 0.00 72.50 69.94 1yws s THR 3 CO 0.00 -0.48 1.40 0.22 -0.54 0.00 0.00 174.62 175.23 1yws h TYR 4 N 9.76 0.00 -3.50 3.99 3.20 -1.96 -3.46 116.97 125.00 1yws h TYR 4 Ca -0.28 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.27 1yws h TYR 4 Cb 1.11 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.23 1yws h TYR 4 CO 0.90 0.08 -0.68 -0.51 -1.64 0.00 0.00 178.16 176.30 1yws s ASP 5 N -5.99 1.60 -0.23 -2.11 1.01 -1.26 -5.06 116.67 104.64 1yws s ASP 5 Ca 0.04 -1.12 -0.03 0.00 0.71 0.00 0.00 52.55 52.16 1yws s ASP 5 Cb 0.07 0.04 0.11 0.00 1.01 0.00 0.00 42.92 44.14 1yws s ASP 5 CO 0.72 -0.46 0.27 -0.70 0.21 0.00 0.00 175.17 175.21 1yws s GLU 6 N -3.83 0.25 0.21 8.23 2.12 -1.26 -0.49 118.70 123.93 1yws s GLU 6 Ca 0.22 0.23 0.10 0.00 0.36 0.00 0.00 54.97 55.88 1yws s GLU 6 Cb 0.05 -0.95 -0.04 0.00 0.26 0.00 0.00 34.13 33.44 1yws s GLU 6 CO 0.03 -0.71 -0.15 0.42 -0.54 0.00 0.00 175.26 174.32 1yws s ILE 7 N 2.38 2.83 0.45 -3.70 1.09 -0.94 -4.86 121.20 118.47 1yws s ILE 7 Ca 0.09 -1.92 -0.24 0.00 -1.10 0.00 0.00 60.65 57.47 1yws s ILE 7 Cb -0.15 -2.41 -0.07 0.00 -1.06 0.00 0.00 42.46 38.76 1yws s ILE 7 CO -0.16 -0.18 1.29 -1.61 -0.10 0.00 0.00 174.94 174.17 1yws s GLU 8 N -2.96 3.71 0.53 2.79 8.01 -1.26 0.39 118.70 129.92 1yws s GLU 8 Ca 0.25 2.09 0.22 0.00 0.01 0.00 0.00 54.97 57.54 1yws s GLU 8 Cb -0.08 -2.55 1.38 0.00 -4.31 0.00 0.00 34.13 28.57 1yws s GLU 8 CO 0.14 -0.68 2.09 0.97 0.01 0.00 0.00 175.26 177.78 1yws h ILE 9 N 2.08 0.82 0.00 -1.63 2.10 -0.51 -0.87 117.51 119.51 1yws h ILE 9 Ca -0.50 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.40 1yws h ILE 9 Cb 1.26 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 1yws h ILE 9 CO 0.61 0.00 -0.19 -0.08 -1.08 0.00 0.00 178.15 177.40 1yws h GLU 10 N 0.00 0.00 0.03 2.19 4.81 -1.90 -2.92 114.58 116.79 1yws h GLU 10 Ca 0.11 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 1yws h GLU 10 Cb 0.45 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1yws h GLU 10 CO -0.00 0.19 -1.20 0.22 -0.73 0.00 0.00 179.01 177.49 1yws h ASP 11 N 0.00 0.10 -4.26 1.04 3.58 -1.52 -3.46 116.42 111.90 1yws h ASP 11 Ca -0.00 -0.12 -0.51 0.00 0.42 0.00 0.00 57.03 56.82 1yws h ASP 11 Cb 0.37 -0.03 0.14 0.00 1.72 0.00 0.00 39.33 41.53 1yws h ASP 11 CO 0.03 1.10 0.29 -0.04 -2.88 0.00 0.00 179.24 177.74 1yws s MET 12 N -2.67 1.94 -0.44 0.28 -1.94 -1.10 -4.97 119.30 110.39 1yws s MET 12 Ca -0.02 1.16 -0.25 0.00 -1.71 0.00 0.00 55.69 54.87 1yws s MET 12 Cb 0.09 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 35.09 1yws s MET 12 CO 0.83 -1.87 0.91 0.99 -0.01 0.00 0.00 175.02 175.88 1yws s THR 13 N -2.88 4.51 0.25 2.05 2.01 0.79 -4.91 115.64 117.47 1yws s THR 13 Ca 0.62 0.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.13 1yws s THR 13 Cb -0.18 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.83 1yws s THR 13 CO 0.56 -0.77 1.09 0.72 -0.69 0.00 0.00 174.62 175.54 1yws s PHE 14 N 3.67 3.60 -0.53 4.92 -0.71 -1.26 -0.50 117.98 127.17 1yws s PHE 14 Ca 0.37 1.68 0.04 0.00 -1.04 0.00 0.00 56.93 57.98 1yws s PHE 14 Cb -0.11 -3.27 0.15 0.00 -1.21 0.00 0.00 43.02 38.59 1yws s PHE 14 CO 0.25 -0.52 0.34 -1.21 -1.34 0.00 0.00 175.22 172.74 1yws s GLU 15 N -1.17 1.71 0.47 1.99 2.02 0.23 -4.91 118.70 119.04 1yws s GLU 15 Ca 0.45 -2.55 0.15 0.00 0.02 0.00 0.00 54.97 53.05 1yws s GLU 15 Cb -0.31 -2.70 1.08 0.00 0.10 0.00 0.00 34.13 32.29 1yws s GLU 15 CO 0.39 -1.23 2.03 -1.00 0.02 0.00 0.00 175.26 175.47 1yws h PRO 16 N 6.11 0.00 0.00 0.39 0.13 -1.92 -0.54 132.00 136.17 1yws h PRO 16 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1yws h PRO 16 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1yws h PRO 16 CO 0.57 0.14 -0.08 0.93 -0.23 0.00 0.00 178.00 179.34 1yws h GLU 17 N 0.00 0.00 -0.03 0.86 5.08 -1.93 -2.47 114.58 116.10 1yws h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yws h GLU 17 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1yws h GLU 17 CO 0.02 0.08 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 1yws n ASN 18 N -3.57 1.70 -2.53 1.42 3.02 -0.64 -4.99 115.26 109.67 1yws n ASN 18 Ca -0.02 -1.59 -0.19 0.00 -0.03 0.00 0.00 54.58 52.75 1yws n ASN 18 Cb 0.19 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yws n GLN 19 N -0.14 -2.33 -4.13 3.52 3.00 -0.30 -4.94 117.38 112.05 1yws n GLN 19 Ca 0.02 0.90 -0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1yws n GLN 19 Cb 0.17 -5.58 -0.08 0.00 0.00 0.00 0.00 30.24 24.75 1yws n GLN 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yws s MET 20 N -5.17 1.38 -0.02 -1.09 0.23 -0.82 -2.75 119.30 111.06 1yws s MET 20 Ca 0.06 -1.53 0.08 0.00 -1.03 0.00 0.00 55.69 53.26 1yws s MET 20 Cb -0.03 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.60 1yws s MET 20 CO 0.07 -0.51 -0.25 -0.06 -2.03 0.00 0.00 175.02 172.25 1yws s PHE 21 N -4.02 2.37 0.06 3.16 0.40 0.22 -0.60 117.98 119.57 1yws s PHE 21 Ca 0.33 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1yws s PHE 21 Cb 0.04 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1yws s PHE 21 CO 0.12 -0.01 -0.14 0.95 0.70 0.00 0.00 175.22 176.85 1yws s THR 22 N -0.63 1.08 -0.16 0.64 -4.23 0.35 -1.47 115.64 111.22 1yws s THR 22 Ca 0.10 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1yws s THR 22 Cb -0.10 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.73 1yws s THR 22 CO -0.01 -0.14 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.26 1yws s TYR 23 N -1.10 2.74 -0.08 3.99 5.04 0.43 -0.15 117.35 128.22 1yws s TYR 23 Ca -0.01 -1.45 -0.29 0.00 -2.44 0.00 0.00 57.07 52.88 1yws s TYR 23 Cb -0.09 -1.88 -0.06 0.00 0.35 0.00 0.00 41.96 40.27 1yws s TYR 23 CO 0.02 -0.69 1.93 -1.25 -1.34 0.00 0.00 175.55 174.22 1yws s PRO 24 N 1.06 3.84 -0.02 4.97 0.04 -1.26 -1.28 135.00 142.35 1yws s PRO 24 Ca -0.01 2.26 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1yws s PRO 24 Cb -0.14 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1yws s PRO 24 CO -0.07 -1.28 -0.08 0.00 0.04 0.00 0.00 177.00 175.61 1yws s PRO 26 N 0.16 3.97 0.00 0.00 0.05 -1.26 -4.54 135.00 133.38 1yws s PRO 26 Ca -0.02 0.36 0.00 0.00 0.05 0.00 0.00 61.00 61.39 1yws s PRO 26 Cb -0.08 -3.70 0.00 0.00 0.05 0.00 0.00 34.50 30.77 1yws s PRO 26 CO 0.00 -0.52 0.00 0.00 0.05 0.00 0.00 177.00 176.54 1yws n GLY 28 N -0.96 0.19 3.34 0.00 0.00 -1.26 -4.88 105.19 101.61 1yws n GLY 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1yws n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yws s ASP 29 N 0.00 1.00 0.21 1.61 -1.08 -1.25 -5.02 116.67 112.14 1yws s ASP 29 Ca 0.00 -1.55 0.09 0.00 -0.52 0.00 0.00 52.55 50.57 1yws s ASP 29 Cb 0.00 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 1yws s ASP 29 CO 0.00 -1.07 -0.07 -0.13 0.52 0.00 0.00 175.17 174.42 1yws s ARG 30 N -3.56 2.14 -0.06 4.34 3.00 -1.26 -4.40 118.95 119.16 1yws s ARG 30 Ca 0.37 -1.33 -0.31 0.00 0.00 0.00 0.00 55.73 54.46 1yws s ARG 30 Cb 0.03 -2.16 -0.09 0.00 0.00 0.00 0.00 34.95 32.73 1yws s ARG 30 CO 0.21 0.41 2.01 1.19 0.00 0.00 0.00 175.30 179.12 1yws n PHE 31 N -0.29 2.33 -5.05 -0.53 3.01 -0.40 -4.33 117.46 112.20 1yws n PHE 31 Ca -0.09 -0.22 -0.32 0.00 1.01 0.00 0.00 57.45 57.83 1yws n PHE 31 Cb 0.57 -2.75 -0.15 0.00 -0.01 0.00 0.00 39.48 37.14 1yws n PHE 31 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1yws s GLN 32 N 4.82 2.69 -0.12 -1.08 -0.21 0.10 -0.42 119.66 125.42 1yws s GLN 32 Ca 0.93 -0.79 -0.09 0.00 0.02 0.00 0.00 55.36 55.43 1yws s GLN 32 Cb -0.50 -2.32 0.04 0.00 1.00 0.00 0.00 33.01 31.23 1yws s GLN 32 CO 0.43 0.43 0.31 -1.50 -2.12 0.00 0.00 175.29 172.85 1yws s ILE 33 N -0.26 -0.02 0.16 1.08 2.07 -0.54 -2.24 121.20 121.46 1yws s ILE 33 Ca 0.00 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.24 1yws s ILE 33 Cb -0.13 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 41.94 1yws s ILE 33 CO 0.03 0.03 0.42 -0.31 -1.91 0.00 0.00 174.94 173.20 1yws s TYR 34 N 0.74 3.46 0.46 3.50 1.51 -1.26 -0.61 117.35 125.15 1yws s TYR 34 Ca -0.05 0.65 0.11 0.00 -1.01 0.00 0.00 57.07 56.77 1yws s TYR 34 Cb -0.06 -2.08 1.03 0.00 -0.11 0.00 0.00 41.96 40.75 1yws s TYR 34 CO -0.05 0.39 2.09 1.25 -1.11 0.00 0.00 175.55 178.12 1yws h LEU 35 N 2.78 0.24 -0.84 -1.29 7.12 -1.88 -1.72 115.31 119.72 1yws h LEU 35 Ca -0.46 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1yws h LEU 35 Cb 1.17 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 41.19 1yws h LEU 35 CO 0.71 0.19 0.53 -0.78 -0.13 0.00 0.00 178.44 178.97 1yws h ASP 36 N 0.28 0.99 -0.30 1.25 3.58 -1.94 0.28 116.42 120.57 1yws h ASP 36 Ca 0.08 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 1yws h ASP 36 Cb -0.00 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1yws h ASP 36 CO -0.01 0.75 -0.10 0.44 -2.88 0.00 0.00 179.24 177.43 1yws h ASP 37 N 1.15 0.69 -0.33 2.28 3.32 -1.64 -2.45 116.42 119.44 1yws h ASP 37 Ca 0.30 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1yws h ASP 37 Cb -0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1yws h ASP 37 CO -0.06 0.83 -0.34 0.24 -1.72 0.00 0.00 179.24 178.19 1yws h MET 38 N 0.65 0.87 -0.02 3.56 2.86 -1.09 -2.54 114.93 119.22 1yws h MET 38 Ca 0.11 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 1yws h MET 38 Cb 0.55 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1yws h MET 38 CO 0.03 1.07 -0.13 0.35 1.06 0.00 0.00 176.91 179.29 1yws h PHE 39 N 0.72 0.02 0.00 -0.22 3.57 -0.70 -0.59 116.94 119.75 1yws h PHE 39 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1yws h PHE 39 Cb 0.90 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1yws h PHE 39 CO 0.05 0.16 -0.05 0.93 -2.23 0.00 0.00 178.31 177.17 1yws h GLU 40 N 0.02 0.00 0.00 1.11 4.39 -1.05 -3.45 114.58 115.60 1yws h GLU 40 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yws h GLU 40 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1yws h GLU 40 CO 0.02 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 1yws n GLY 41 N -0.62 0.46 3.39 -3.84 0.00 -0.23 -5.04 105.19 99.32 1yws n GLY 41 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1yws n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yws s GLU 42 N -0.96 3.15 -0.53 1.61 2.56 -1.01 -5.00 118.70 118.51 1yws s GLU 42 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 54.97 53.51 1yws s GLU 42 Cb 0.00 -4.34 0.13 0.00 2.00 0.00 0.00 34.13 31.92 1yws s GLU 42 CO 0.00 -1.61 0.45 -1.59 -0.56 0.00 0.00 175.26 171.95 1yws s LYS 43 N 2.81 2.79 -0.29 4.30 -2.85 -1.26 -3.72 119.74 121.53 1yws s LYS 43 Ca 0.16 -1.82 -0.16 0.00 -1.00 0.00 0.00 55.97 53.16 1yws s LYS 43 Cb -0.20 -4.13 0.15 0.00 -2.06 0.00 0.00 37.83 31.59 1yws s LYS 43 CO 0.04 -1.26 0.96 0.54 0.10 0.00 0.00 175.35 175.73 1yws s VAL 44 N 1.33 -0.14 -0.13 1.79 0.11 -1.26 -2.76 120.40 119.33 1yws s VAL 44 Ca 0.06 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1yws s VAL 44 Cb -0.27 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1yws s VAL 44 CO 0.00 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 171.88 1yws s ALA 45 N 1.65 3.72 -0.12 1.54 0.00 0.16 -4.80 121.76 123.91 1yws s ALA 45 Ca -0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1yws s ALA 45 Cb -0.04 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1yws s ALA 45 CO -0.16 0.50 -0.09 0.08 0.00 0.00 0.00 175.76 176.09 1yws s VAL 46 N -0.65 3.44 -0.36 0.00 1.01 -0.95 -2.06 120.40 120.83 1yws s VAL 46 Ca 0.12 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1yws s VAL 46 Cb -0.12 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1yws s VAL 46 CO 0.02 0.53 0.22 0.00 0.00 0.00 0.00 175.10 175.88 1yws s PRO 48 N 1.63 2.31 0.00 0.00 0.04 -1.26 -0.95 135.00 136.77 1yws s PRO 48 Ca 0.04 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1yws s PRO 48 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1yws s PRO 48 CO 0.08 -1.63 0.00 0.45 0.04 0.00 0.00 177.00 175.94 1yws n SER 49 N -3.09 0.00 -0.02 6.66 2.88 -1.26 -3.89 113.62 114.91 1yws n SER 49 Ca 0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1yws n SER 49 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 1yws n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yws n SER 51 N -2.91 -5.03 -4.14 0.00 2.88 -0.12 -5.09 113.62 99.21 1yws n SER 51 Ca -0.17 0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1yws n SER 51 Cb 0.98 -3.25 -0.11 0.00 -0.75 0.00 0.00 64.21 61.08 1yws n SER 51 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yws s LEU 52 N -2.64 2.37 -0.00 2.46 2.96 -1.06 -4.95 118.68 117.82 1yws s LEU 52 Ca 0.04 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 1yws s LEU 52 Cb -0.01 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.47 1yws s LEU 52 CO 0.39 -0.28 -0.00 -0.04 -1.32 0.00 0.00 176.35 175.10 1yws s MET 53 N -2.59 0.06 0.03 1.98 -1.94 -1.26 -0.16 119.30 115.42 1yws s MET 53 Ca 0.02 0.00 -0.00 0.00 -1.71 0.00 0.00 55.69 54.00 1yws s MET 53 Cb -0.04 -0.10 -0.02 0.00 2.01 0.00 0.00 34.83 36.68 1yws s MET 53 CO -0.01 -0.01 -0.02 0.96 -0.01 0.00 0.00 175.02 175.92 1yws s ILE 54 N 0.16 0.13 0.63 2.53 -0.00 -0.88 -3.54 121.20 120.23 1yws s ILE 54 Ca -0.01 -1.11 -0.14 0.00 -0.00 0.00 0.00 60.65 59.38 1yws s ILE 54 Cb -0.02 -0.56 -0.02 0.00 -0.00 0.00 0.00 42.46 41.85 1yws s ILE 54 CO -0.00 -0.61 1.06 -1.81 -0.00 0.00 0.00 174.94 173.57 1yws s ASP 55 N -1.81 5.65 -0.08 4.36 1.01 0.36 -0.67 116.67 125.50 1yws s ASP 55 Ca -0.11 1.75 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1yws s ASP 55 Cb -0.06 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.37 1yws s ASP 55 CO -0.03 -1.26 -0.07 0.54 0.21 0.00 0.00 175.17 174.56 1yws s VAL 56 N -2.64 0.86 -0.43 -1.27 0.11 -1.11 -2.21 120.40 113.71 1yws s VAL 56 Ca 0.62 -0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 59.15 1yws s VAL 56 Cb -0.15 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1yws s VAL 56 CO 0.43 0.32 1.02 -0.69 -3.33 0.00 0.00 175.10 172.84 1yws s VAL 57 N 1.29 4.40 0.31 2.04 1.01 0.16 -4.74 120.40 124.88 1yws s VAL 57 Ca -0.04 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.14 1yws s VAL 57 Cb -0.14 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1yws s VAL 57 CO -0.03 -0.80 0.06 0.72 0.00 0.00 0.00 175.10 175.05 1yws s PHE 58 N 3.94 2.67 0.23 5.22 -0.12 -1.26 0.27 117.98 128.93 1yws s PHE 58 Ca 0.42 -0.33 0.11 0.00 -0.05 0.00 0.00 56.93 57.08 1yws s PHE 58 Cb -0.10 -1.44 -0.05 0.00 -0.63 0.00 0.00 43.02 40.81 1yws s PHE 58 CO 0.26 0.48 -0.17 0.34 -0.05 0.00 0.00 175.22 176.07 1yws s ASP 59 N -3.75 3.76 0.20 1.98 -1.08 -1.26 -5.02 116.67 111.50 1yws s ASP 59 Ca 0.35 -0.86 -0.09 0.00 -0.52 0.00 0.00 52.55 51.43 1yws s ASP 59 Cb -0.04 -0.42 0.13 0.00 -1.46 0.00 0.00 42.92 41.13 1yws s ASP 59 CO 0.21 0.07 1.75 0.11 0.52 0.00 0.00 175.17 177.83 1yws h LYS 60 N 2.62 1.13 -0.13 4.34 6.56 -1.96 -1.93 116.57 127.21 1yws h LYS 60 Ca -0.44 -0.23 -0.21 0.00 -1.06 0.00 0.00 60.65 58.72 1yws h LYS 60 Cb 1.23 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1yws h LYS 60 CO 0.55 0.95 -0.75 1.05 -2.06 0.00 0.00 179.45 179.19 1yws h GLU 61 N 1.08 0.64 -0.36 3.15 4.11 -1.96 -2.85 114.58 118.39 1yws h GLU 61 Ca 0.24 -0.52 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 1yws h GLU 61 Cb 0.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1yws h GLU 61 CO -0.01 1.14 0.15 -0.44 0.07 0.00 0.00 179.01 179.91 1yws h ASP 62 N 0.44 0.49 -0.19 3.06 3.32 -1.94 -2.01 116.42 119.60 1yws h ASP 62 Ca -0.04 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.88 1yws h ASP 62 Cb 1.36 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1yws h ASP 62 CO 0.14 0.52 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.09 1yws h LEU 63 N 0.44 -0.12 -0.75 1.55 3.38 -1.34 0.93 115.31 119.40 1yws h LEU 63 Ca 0.12 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1yws h LEU 63 Cb 0.17 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1yws h LEU 63 CO -0.01 -0.03 0.47 0.00 0.09 0.00 0.00 178.44 178.95 1yws h ALA 64 N 1.17 1.00 -0.25 1.53 0.00 -1.38 0.23 119.26 121.56 1yws h ALA 64 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1yws h ALA 64 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yws h ALA 64 CO -0.17 0.24 0.01 1.49 0.00 0.00 0.00 179.25 180.83 1yws h GLU 65 N 0.90 0.44 -0.28 0.00 4.81 -0.86 -2.94 114.58 116.65 1yws h GLU 65 Ca 0.31 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1yws h GLU 65 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1yws h GLU 65 CO -0.13 0.60 -0.16 1.88 -0.73 0.00 0.00 179.01 180.47 1yws h TYR 66 N 0.23 0.54 -0.22 0.92 0.05 -0.38 -1.59 116.97 116.51 1yws h TYR 66 Ca 0.07 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.82 1yws h TYR 66 Cb 0.39 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.92 1yws h TYR 66 CO 0.03 0.63 -0.24 1.88 -1.05 0.00 0.00 178.16 179.42 1yws h TYR 67 N 0.46 -0.62 -0.35 4.88 0.05 -0.40 0.40 116.97 121.39 1yws h TYR 67 Ca 0.08 0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.79 1yws h TYR 67 Cb 0.54 0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 1yws h TYR 67 CO 0.02 -0.31 -0.23 1.49 -1.05 0.00 0.00 178.16 178.07 1yws h GLU 68 N -0.25 0.68 0.29 4.88 4.81 -1.30 0.97 114.58 124.65 1yws h GLU 68 Ca 0.13 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1yws h GLU 68 Cb 0.45 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1yws h GLU 68 CO -0.37 0.85 -0.14 1.49 -0.73 0.00 0.00 179.01 180.12 1yws h GLU 69 N 0.59 -0.37 0.00 1.92 4.81 -0.84 -3.14 114.58 117.56 1yws h GLU 69 Ca 0.08 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1yws h GLU 69 Cb 0.71 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1yws h GLU 69 CO 0.05 -0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 1yws h ALA 70 N -0.21 1.00 -0.91 2.92 0.00 -0.22 -3.46 119.26 118.39 1yws h ALA 70 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yws h ALA 70 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1yws h ALA 70 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1yws n GLY 71 N -0.47 0.68 3.71 0.00 0.00 -0.85 -4.62 105.19 103.66 1yws n GLY 71 Ca -0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1yws n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yws s ILE 72 N -2.33 4.42 0.53 -0.61 1.01 0.28 -5.04 121.20 119.45 1yws s ILE 72 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 1yws s ILE 72 Cb 0.00 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1yws s ILE 72 CO 0.00 0.48 1.26 -1.00 0.00 0.00 0.00 174.94 175.68 1yws s HIS 73 N -1.02 2.50 -0.38 3.97 3.76 -1.26 -4.52 115.29 118.34 1yws s HIS 73 Ca 0.17 1.46 -0.42 0.00 -0.15 0.00 0.00 55.06 56.13 1yws s HIS 73 Cb -0.12 -3.59 -0.17 0.00 1.11 0.00 0.00 32.58 29.82 1yws s HIS 73 CO 0.07 -2.28 1.83 -0.35 -0.85 0.00 0.00 174.74 173.16 1yws n PRO 74 N -0.97 0.69 -1.31 8.40 -0.04 -1.26 -4.95 135.00 135.56 1yws n PRO 74 Ca 0.10 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 1yws n PRO 74 Cb 0.47 -1.91 0.12 0.00 -0.04 0.00 0.00 33.50 32.14 1yws n PRO 74 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1yws s PRO 75 N 4.12 1.54 0.54 0.54 0.04 -1.26 -5.03 135.00 135.49 1yws s PRO 75 Ca 1.05 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 1yws s PRO 75 Cb -1.21 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 1yws s PRO 75 CO 0.68 -2.04 1.05 -1.21 0.04 0.00 0.00 177.00 175.53 1yws s GLU 76 N -5.00 3.53 0.23 4.56 0.41 -1.26 -4.95 118.70 116.23 1yws s GLU 76 Ca 0.63 1.30 -0.31 0.00 -0.41 0.00 0.00 54.97 56.17 1yws s GLU 76 Cb -0.17 -2.06 -0.14 0.00 -1.78 0.00 0.00 34.13 29.98 1yws s GLU 76 CO 0.56 -0.65 1.32 -2.30 -0.49 0.00 0.00 175.26 173.70 1yws n PRO 77 N -1.52 1.78 -4.03 0.39 -0.02 -1.26 -4.99 135.00 125.35 1yws n PRO 77 Ca 0.09 0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 61.96 1yws n PRO 77 Cb 0.53 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1yws n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1yws s ILE 78 N -0.20 2.26 -0.38 4.25 -4.36 -1.26 -5.10 121.20 116.42 1yws s ILE 78 Ca 0.68 -1.63 -0.08 0.00 -0.26 0.00 0.00 60.65 59.36 1yws s ILE 78 Cb -0.70 -2.89 0.06 0.00 1.25 0.00 0.00 42.46 40.18 1yws s ILE 78 CO 0.51 0.00 0.19 0.00 0.24 0.00 0.00 174.94 175.89 1yws s ALA 79 N -2.60 3.19 1.11 2.27 0.00 -1.26 -5.10 121.76 119.37 1yws s ALA 79 Ca 0.40 -1.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 1yws s ALA 79 Cb 0.02 -2.49 0.14 0.00 0.00 0.00 0.00 23.12 20.79 1yws s ALA 79 CO 0.23 -1.50 0.53 0.00 0.00 0.00 0.00 175.76 175.02 1yws n ALA 80 N 4.88 -1.56 -1.55 0.00 0.00 -1.26 -4.83 120.51 116.19 1yws n ALA 80 Ca -0.11 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.13 1yws n ALA 80 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1yws n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws n ALA 81 N -3.85 1.29 -0.65 0.00 0.00 -1.26 -5.03 120.51 111.01 1yws n ALA 81 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1yws n ALA 81 Cb 0.28 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.83 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50