#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yop s VAL 2 N 0.00 4.67 0.38 1.12 0.11 -1.26 -5.04 120.40 120.38 1yop s VAL 2 Ca 0.00 1.63 0.07 0.00 -2.93 0.00 0.00 61.98 60.75 1yop s VAL 2 Cb 0.00 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.57 1yop s VAL 2 CO 0.00 -0.30 0.53 -0.94 -3.33 0.00 0.00 175.10 171.06 1yop s SER 3 N 1.50 5.81 0.06 3.54 1.04 -1.26 -5.14 113.70 119.26 1yop s SER 3 Ca 0.40 -0.28 -0.18 0.00 0.48 0.00 0.00 55.95 56.37 1yop s SER 3 Cb -0.14 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 65.05 1yop s SER 3 CO 0.11 -0.60 0.43 0.42 0.98 0.00 0.00 173.24 174.58 1yop s THR 4 N -2.28 0.05 0.00 2.02 -4.23 -1.26 -4.73 115.64 105.21 1yop s THR 4 Ca 0.50 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1yop s THR 4 Cb -0.10 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1yop s THR 4 CO 0.32 -0.24 0.00 -1.22 -0.54 0.00 0.00 174.62 172.94 1yop n TYR 5 N 0.31 0.00 -4.36 3.99 4.01 -1.15 -5.06 117.16 114.90 1yop n TYR 5 Ca -0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 1yop n TYR 5 Cb 0.61 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.53 1yop n TYR 5 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1yop s ASP 6 N -2.72 1.69 -0.10 7.72 2.15 -1.26 -5.06 116.67 119.08 1yop s ASP 6 Ca 0.00 -1.35 -0.03 0.00 0.43 0.00 0.00 52.55 51.60 1yop s ASP 6 Cb 0.00 0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.64 1yop s ASP 6 CO 0.00 -0.65 0.02 -1.83 -0.17 0.00 0.00 175.17 172.54 1yop s GLU 7 N -3.96 3.19 0.15 4.34 -1.05 -1.26 -2.49 118.70 117.63 1yop s GLU 7 Ca 0.36 -0.37 0.03 0.00 -0.15 0.00 0.00 54.97 54.83 1yop s GLU 7 Cb 0.08 -2.89 -0.04 0.00 -0.44 0.00 0.00 34.13 30.84 1yop s GLU 7 CO 0.13 0.64 0.25 0.42 0.95 0.00 0.00 175.26 177.65 1yop s ILE 8 N -0.68 5.12 -0.15 1.83 -1.09 0.50 -4.92 121.20 121.81 1yop s ILE 8 Ca 0.11 -0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 1yop s ILE 8 Cb -0.12 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1yop s ILE 8 CO 0.02 -0.10 -0.04 -0.70 -1.23 0.00 0.00 174.94 172.90 1yop s GLU 9 N -3.21 3.64 0.47 2.79 2.12 -1.26 -0.15 118.70 123.11 1yop s GLU 9 Ca 0.34 -0.52 0.13 0.00 0.36 0.00 0.00 54.97 55.27 1yop s GLU 9 Cb -0.11 -2.90 1.10 0.00 0.26 0.00 0.00 34.13 32.48 1yop s GLU 9 CO 0.27 0.26 2.10 0.97 -0.54 0.00 0.00 175.26 178.32 1yop h ILE 10 N 5.12 1.05 -0.18 -3.70 2.10 -1.80 -1.68 117.51 118.42 1yop h ILE 10 Ca -0.31 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1yop h ILE 10 Cb 1.19 0.90 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1yop h ILE 10 CO 0.62 0.06 0.12 -0.08 -1.08 0.00 0.00 178.15 177.80 1yop h GLU 11 N 0.17 0.24 -1.13 2.19 4.81 -1.94 -1.92 114.58 117.00 1yop h GLU 11 Ca 0.05 -0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.75 1yop h GLU 11 Cb 0.03 -0.05 -0.24 0.00 0.63 0.00 0.00 28.75 29.12 1yop h GLU 11 CO -0.01 0.16 0.66 -3.47 -0.73 0.00 0.00 179.01 175.63 1yop n ASP 12 N -4.51 6.22 -4.11 1.04 -0.08 -0.63 -4.90 116.55 109.58 1yop n ASP 12 Ca -0.00 -3.47 -0.24 0.00 -1.51 0.00 0.00 54.79 49.57 1yop n ASP 12 Cb 0.08 -0.94 -0.16 0.00 2.34 0.00 0.00 41.12 42.44 1yop n ASP 12 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1yop s MET 13 N -2.99 1.44 -0.05 -0.67 -1.94 -0.72 -4.94 119.30 109.43 1yop s MET 13 Ca 0.51 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.66 1yop s MET 13 Cb 0.41 -1.31 -0.07 0.00 2.01 0.00 0.00 34.83 35.86 1yop s MET 13 CO 0.02 0.25 2.00 0.99 -0.01 0.00 0.00 175.02 178.27 1yop s THR 14 N -0.07 3.09 0.01 2.05 2.01 -1.02 -4.85 115.64 116.86 1yop s THR 14 Ca -0.00 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 1yop s THR 14 Cb -0.09 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1yop s THR 14 CO 0.01 -0.03 0.70 0.72 -0.69 0.00 0.00 174.62 175.33 1yop s PHE 15 N 5.54 3.69 -0.46 4.92 -0.12 -1.26 -2.12 117.98 128.17 1yop s PHE 15 Ca 0.90 1.35 0.03 0.00 -0.05 0.00 0.00 56.93 59.15 1yop s PHE 15 Cb -0.38 -2.74 0.12 0.00 -0.63 0.00 0.00 43.02 39.38 1yop s PHE 15 CO 0.38 0.27 0.20 -2.00 -0.05 0.00 0.00 175.22 174.03 1yop s GLU 16 N 0.02 1.86 0.16 1.99 2.12 0.83 -4.95 118.70 120.73 1yop s GLU 16 Ca 0.36 -2.31 0.19 0.00 0.36 0.00 0.00 54.97 53.56 1yop s GLU 16 Cb -0.19 -3.33 0.82 0.00 0.26 0.00 0.00 34.13 31.68 1yop s GLU 16 CO 0.20 -1.05 1.58 -0.35 -0.54 0.00 0.00 175.26 175.10 1yop n PRO 17 N 3.62 0.11 -0.24 4.30 -0.04 -1.26 -1.21 135.00 140.28 1yop n PRO 17 Ca 0.04 0.39 0.01 0.00 -0.04 0.00 0.00 63.50 63.91 1yop n PRO 17 Cb 0.37 -1.73 0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1yop n PRO 17 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1yop h GLU 18 N 0.00 0.57 0.00 0.54 4.11 -1.92 -3.33 114.58 114.55 1yop h GLU 18 Ca 0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 1yop h GLU 18 Cb 0.27 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1yop h GLU 18 CO 0.00 0.38 -0.59 0.09 0.07 0.00 0.00 179.01 178.96 1yop n ASN 19 N -4.87 0.22 -3.20 3.06 3.02 -1.20 -4.87 115.26 107.42 1yop n ASN 19 Ca 0.11 -1.86 -0.06 0.00 -0.03 0.00 0.00 54.58 52.74 1yop n ASN 19 Cb 0.27 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1yop n ASN 19 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1yop n GLN 20 N 0.16 -1.41 -3.94 3.52 -0.06 -0.35 -4.95 117.38 110.35 1yop n GLN 20 Ca -0.01 1.32 -0.10 0.00 -2.00 0.00 0.00 57.00 56.21 1yop n GLN 20 Cb 0.82 -5.22 -0.11 0.00 -4.06 0.00 0.00 30.24 21.67 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yop s MET 21 N -3.47 0.39 0.04 3.69 0.23 -0.67 -3.19 119.30 116.31 1yop s MET 21 Ca 0.05 -0.54 0.09 0.00 -1.03 0.00 0.00 55.69 54.26 1yop s MET 21 Cb -0.01 0.15 -0.03 0.00 -1.53 0.00 0.00 34.83 33.41 1yop s MET 21 CO 0.77 -0.08 -0.26 -0.06 -2.03 0.00 0.00 175.02 173.36 1yop s PHE 22 N -1.47 2.30 0.06 3.16 0.40 0.56 -0.12 117.98 122.87 1yop s PHE 22 Ca -0.15 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 1yop s PHE 22 Cb -0.09 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1yop s PHE 22 CO -0.00 0.11 -0.18 0.95 0.70 0.00 0.00 175.22 176.79 1yop s THR 23 N -0.78 1.48 -0.34 0.64 -4.23 -0.90 -0.29 115.64 111.21 1yop s THR 23 Ca 0.11 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1yop s THR 23 Cb -0.10 -1.32 0.12 0.00 1.34 0.00 0.00 72.50 72.53 1yop s THR 23 CO 0.02 0.06 0.17 -0.47 -0.54 0.00 0.00 174.62 173.85 1yop s TYR 24 N -0.93 1.14 -0.79 3.99 5.04 -1.18 -2.45 117.35 122.17 1yop s TYR 24 Ca 0.05 -1.64 -0.23 0.00 -2.44 0.00 0.00 57.07 52.81 1yop s TYR 24 Cb -0.09 -1.32 -0.18 0.00 0.35 0.00 0.00 41.96 40.72 1yop s TYR 24 CO 0.02 -0.83 2.41 -2.30 -1.34 0.00 0.00 175.55 173.51 1yop n PRO 25 N 4.45 0.47 -2.02 4.97 -0.02 -1.26 -1.31 135.00 140.28 1yop n PRO 25 Ca 0.03 -0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 60.80 1yop n PRO 25 Cb 0.39 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 1yop n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yop h PRO 27 N 4.82 0.00 -0.16 0.00 0.13 -1.90 -2.40 132.00 132.50 1yop h PRO 27 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1yop h PRO 27 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1yop h PRO 27 CO 0.76 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.64 1yop n GLY 29 N -1.56 0.84 0.00 0.00 0.00 -0.90 -5.01 105.19 98.56 1yop n GLY 29 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1yop n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yop n ASP 30 N 0.00 1.38 -4.23 1.61 -0.08 -1.22 -4.99 116.55 109.01 1yop n ASP 30 Ca 0.00 -0.65 -0.18 0.00 -1.51 0.00 0.00 54.79 52.44 1yop n ASP 30 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1yop n ASP 30 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1yop s ARG 31 N -0.75 1.00 0.54 -0.67 3.52 -1.26 -0.95 118.95 120.37 1yop s ARG 31 Ca 0.00 -1.19 -0.01 0.00 -0.13 0.00 0.00 55.73 54.40 1yop s ARG 31 Cb 0.00 -0.92 0.02 0.00 -1.56 0.00 0.00 34.95 32.49 1yop s ARG 31 CO 0.00 0.18 0.78 -0.06 -0.81 0.00 0.00 175.30 175.39 1yop s PHE 32 N -1.94 3.07 -0.28 5.12 0.08 -0.42 -4.81 117.98 118.80 1yop s PHE 32 Ca 0.07 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.31 1yop s PHE 32 Cb -0.06 -2.63 0.15 0.00 -0.57 0.00 0.00 43.02 39.91 1yop s PHE 32 CO 0.03 -0.73 0.55 1.14 -0.10 0.00 0.00 175.22 176.12 1yop s GLN 33 N -4.77 0.51 -0.08 0.44 -2.07 -1.25 -3.11 119.66 109.31 1yop s GLN 33 Ca 0.54 1.05 -0.04 0.00 -1.82 0.00 0.00 55.36 55.09 1yop s GLN 33 Cb -0.10 0.44 0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1yop s GLN 33 CO 0.40 -0.47 0.18 -1.50 -1.32 0.00 0.00 175.29 172.58 1yop s ILE 34 N 2.79 -0.14 0.51 3.63 2.07 0.60 -4.97 121.20 125.69 1yop s ILE 34 Ca 0.10 0.23 -0.14 0.00 -1.41 0.00 0.00 60.65 59.43 1yop s ILE 34 Cb -0.14 -0.30 -0.07 0.00 0.13 0.00 0.00 42.46 42.08 1yop s ILE 34 CO -0.19 0.09 0.95 -0.31 -1.91 0.00 0.00 174.94 173.58 1yop s TYR 35 N 1.59 3.49 0.33 3.50 1.51 -1.26 -0.32 117.35 126.19 1yop s TYR 35 Ca -0.05 1.35 0.03 0.00 -1.01 0.00 0.00 57.07 57.38 1yop s TYR 35 Cb -0.12 -2.71 0.61 0.00 -0.11 0.00 0.00 41.96 39.64 1yop s TYR 35 CO -0.07 -0.37 1.95 -0.07 -1.11 0.00 0.00 175.55 175.89 1yop h LEU 36 N 0.76 0.79 -0.91 -1.29 3.38 -1.92 -1.74 115.31 114.39 1yop h LEU 36 Ca -0.46 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1yop h LEU 36 Cb 1.19 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1yop h LEU 36 CO 0.62 0.53 0.60 0.44 0.09 0.00 0.00 178.44 180.72 1yop h ASP 37 N 0.91 1.03 -0.67 -0.43 5.19 -1.93 -2.03 116.42 118.48 1yop h ASP 37 Ca 0.33 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.66 1yop h ASP 37 Cb 0.14 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.37 1yop h ASP 37 CO -0.10 0.73 0.19 -0.78 -3.12 0.00 0.00 179.24 176.16 1yop h ASP 38 N 1.21 1.01 -0.66 6.45 1.82 -1.71 -2.21 116.42 122.32 1yop h ASP 38 Ca 0.34 -0.19 -0.35 0.00 -0.39 0.00 0.00 57.03 56.44 1yop h ASP 38 Cb -0.10 -0.26 -0.20 0.00 0.68 0.00 0.00 39.33 39.45 1yop h ASP 38 CO -0.09 0.95 0.45 0.23 -1.61 0.00 0.00 179.24 179.17 1yop n MET 39 N -4.25 1.85 0.00 0.28 2.81 -0.82 -3.78 117.12 113.21 1yop n MET 39 Ca 0.05 -1.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.95 1yop n MET 39 Cb 0.24 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 1yop n MET 39 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1yop n PHE 40 N -0.53 0.00 -0.21 2.03 7.35 -0.86 -4.77 117.46 120.46 1yop n PHE 40 Ca 0.39 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.13 1yop n PHE 40 Cb 1.21 0.21 0.31 0.00 0.35 0.00 0.00 39.48 41.56 1yop n PHE 40 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1yop h GLU 41 N 0.00 0.83 0.00 -4.13 5.08 -1.58 -3.44 114.58 111.35 1yop h GLU 41 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yop h GLU 41 Cb 0.43 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1yop h GLU 41 CO 0.00 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 178.97 1yop n GLY 42 N -1.43 -1.09 3.25 -3.84 0.00 -1.26 -5.16 105.19 95.66 1yop n GLY 42 Ca 0.11 0.35 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 1yop n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yop s GLU 43 N 0.00 1.06 0.00 1.61 2.12 -1.25 -5.03 118.70 117.21 1yop s GLU 43 Ca 0.00 -1.38 0.00 0.00 0.36 0.00 0.00 54.97 53.95 1yop s GLU 43 Cb 0.00 -0.77 0.00 0.00 0.26 0.00 0.00 34.13 33.62 1yop s GLU 43 CO 0.00 0.12 0.00 1.63 -0.54 0.00 0.00 175.26 176.47 1yop n LYS 44 N 0.07 0.00 -3.50 4.30 5.02 -1.26 -4.86 118.16 117.93 1yop n LYS 44 Ca -0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.76 1yop n LYS 44 Cb 0.59 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 35.45 1yop n LYS 44 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1yop s VAL 45 N -1.60 5.26 0.09 -0.18 -7.23 -1.26 -1.03 120.40 114.45 1yop s VAL 45 Ca 0.00 -0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.06 1yop s VAL 45 Cb 0.00 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 1yop s VAL 45 CO 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 175.10 174.75 1yop s ALA 46 N 1.79 3.26 -0.11 1.32 0.00 -1.05 -4.98 121.76 122.00 1yop s ALA 46 Ca 0.07 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1yop s ALA 46 Cb -0.17 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1yop s ALA 46 CO 0.11 0.70 -0.05 0.14 0.00 0.00 0.00 175.76 176.65 1yop s VAL 47 N -1.30 3.81 0.18 0.00 -7.23 -1.26 -3.43 120.40 111.16 1yop s VAL 47 Ca 0.25 -0.41 -0.30 0.00 -1.81 0.00 0.00 61.98 59.71 1yop s VAL 47 Cb -0.12 -2.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.14 1yop s VAL 47 CO 0.18 0.55 1.09 0.00 -0.31 0.00 0.00 175.10 176.61 1yop n PRO 49 N 2.34 1.74 0.08 0.00 -0.04 -1.26 -1.76 135.00 136.10 1yop n PRO 49 Ca 0.02 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1yop n PRO 49 Cb 0.46 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1yop n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yop n SER 50 N 0.11 0.47 -0.01 3.54 2.88 -1.26 -4.90 113.62 114.45 1yop n SER 50 Ca 0.05 0.25 0.09 0.00 -1.33 0.00 0.00 58.87 57.93 1yop n SER 50 Cb 0.41 -0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.72 1yop n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yop n SER 52 N -2.06 -3.99 -4.77 0.00 2.88 -0.72 -4.98 113.62 99.98 1yop n SER 52 Ca -0.03 -0.19 -0.39 0.00 -1.33 0.00 0.00 58.87 56.93 1yop n SER 52 Cb 0.45 -2.75 -0.04 0.00 -0.75 0.00 0.00 64.21 61.12 1yop n SER 52 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1yop s LEU 53 N -3.82 4.40 -0.36 2.46 1.43 -1.26 -4.67 118.68 116.86 1yop s LEU 53 Ca 0.21 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.28 1yop s LEU 53 Cb -0.09 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 1yop s LEU 53 CO 0.26 -0.24 0.43 -0.04 0.23 0.00 0.00 176.35 176.98 1yop s MET 54 N -1.83 3.46 0.18 1.70 -1.94 -1.26 -3.33 119.30 116.29 1yop s MET 54 Ca 0.49 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 1yop s MET 54 Cb -0.27 -3.85 -0.05 0.00 2.01 0.00 0.00 34.83 32.67 1yop s MET 54 CO 0.35 -0.64 -0.06 0.96 -0.01 0.00 0.00 175.02 175.61 1yop s ILE 55 N 2.16 1.09 -0.42 2.53 -5.25 -1.22 -2.93 121.20 117.16 1yop s ILE 55 Ca 0.14 -2.05 0.04 0.00 -0.99 0.00 0.00 60.65 57.79 1yop s ILE 55 Cb -0.16 -2.05 0.11 0.00 2.95 0.00 0.00 42.46 43.31 1yop s ILE 55 CO 0.13 -0.57 0.15 -1.81 -1.79 0.00 0.00 174.94 171.05 1yop s ASP 56 N -3.22 4.62 -0.11 4.36 1.11 -1.04 -2.52 116.67 119.87 1yop s ASP 56 Ca 0.22 -2.52 -0.21 0.00 0.18 0.00 0.00 52.55 50.22 1yop s ASP 56 Cb 0.04 -1.65 -0.04 0.00 1.07 0.00 0.00 42.92 42.34 1yop s ASP 56 CO 0.04 -0.33 0.59 0.54 1.18 0.00 0.00 175.17 177.19 1yop s VAL 57 N 0.40 5.10 0.26 -1.27 0.11 -0.20 -0.37 120.40 124.44 1yop s VAL 57 Ca 0.13 1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 60.30 1yop s VAL 57 Cb -0.22 -3.93 -0.06 0.00 -1.53 0.00 0.00 36.38 30.64 1yop s VAL 57 CO -0.05 0.26 0.55 0.54 -3.33 0.00 0.00 175.10 173.07 1yop s VAL 58 N 0.92 4.99 0.30 2.04 0.11 0.79 -4.64 120.40 124.92 1yop s VAL 58 Ca 0.31 0.23 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 1yop s VAL 58 Cb -0.16 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1yop s VAL 58 CO 0.13 -0.22 0.17 0.72 -3.33 0.00 0.00 175.10 172.58 1yop s PHE 59 N -1.98 1.59 0.01 1.54 -0.71 -1.26 -2.15 117.98 115.02 1yop s PHE 59 Ca 0.45 -1.41 0.03 0.00 -1.04 0.00 0.00 56.93 54.96 1yop s PHE 59 Cb -0.11 -0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1yop s PHE 59 CO 0.27 -0.58 -0.09 -0.51 -1.34 0.00 0.00 175.22 172.96 1yop s ASP 60 N -3.37 1.07 0.07 1.98 1.11 -1.26 -5.04 116.67 111.23 1yop s ASP 60 Ca 0.36 -0.27 -0.15 0.00 0.18 0.00 0.00 52.55 52.66 1yop s ASP 60 Cb 0.05 -0.08 -0.18 0.00 1.07 0.00 0.00 42.92 43.78 1yop s ASP 60 CO 0.18 0.04 1.25 0.11 1.18 0.00 0.00 175.17 177.93 1yop h LYS 61 N 5.51 0.65 -0.91 8.23 6.56 -1.99 -1.91 116.57 132.71 1yop h LYS 61 Ca -0.32 -0.55 0.02 0.00 -1.06 0.00 0.00 60.65 58.73 1yop h LYS 61 Cb 1.18 0.12 -0.05 0.00 -0.57 0.00 0.00 32.23 32.92 1yop h LYS 61 CO 0.47 1.17 0.60 1.49 -2.06 0.00 0.00 179.45 181.12 1yop h GLU 62 N 0.32 1.16 -0.12 3.15 4.57 -1.99 -0.89 114.58 120.78 1yop h GLU 62 Ca -0.05 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1yop h GLU 62 Cb 1.31 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1yop h GLU 62 CO 0.14 0.77 -0.15 0.22 -1.18 0.00 0.00 179.01 178.80 1yop h ASP 63 N 1.19 0.33 -0.96 1.04 3.58 -1.98 -0.24 116.42 119.38 1yop h ASP 63 Ca 0.35 -0.51 0.07 0.00 0.42 0.00 0.00 57.03 57.36 1yop h ASP 63 Cb -0.08 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 40.81 1yop h ASP 63 CO -0.09 0.78 0.62 0.25 -2.88 0.00 0.00 179.24 177.92 1yop h LEU 64 N -0.10 0.97 0.01 2.28 6.46 -1.07 0.15 115.31 124.00 1yop h LEU 64 Ca 0.01 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1yop h LEU 64 Cb 0.70 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1yop h LEU 64 CO 0.04 0.60 -0.39 0.00 -0.62 0.00 0.00 178.44 178.07 1yop h ALA 65 N 1.49 0.03 -0.35 1.25 0.00 -1.16 -3.11 119.26 117.43 1yop h ALA 65 Ca 0.42 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1yop h ALA 65 Cb 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1yop h ALA 65 CO -0.17 0.19 0.18 0.93 0.00 0.00 0.00 179.25 180.38 1yop h GLU 66 N -0.40 0.37 -0.41 0.00 5.08 -0.74 -1.94 114.58 116.54 1yop h GLU 66 Ca -0.05 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1yop h GLU 66 Cb 1.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1yop h GLU 66 CO 0.08 0.24 0.28 1.88 -1.00 0.00 0.00 179.01 180.48 1yop h TYR 67 N 0.38 0.32 -0.52 4.33 -1.99 -0.81 0.19 116.97 118.87 1yop h TYR 67 Ca 0.14 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.90 1yop h TYR 67 Cb 0.04 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 1yop h TYR 67 CO -0.09 0.18 0.34 -0.92 -0.00 0.00 0.00 178.16 177.67 1yop h TYR 68 N 0.32 0.62 0.06 4.88 3.20 -1.27 0.40 116.97 125.19 1yop h TYR 68 Ca 0.18 0.01 -0.34 0.00 3.14 0.00 0.00 58.73 61.72 1yop h TYR 68 Cb 0.29 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1yop h TYR 68 CO -0.00 0.38 -1.97 0.39 -1.64 0.00 0.00 178.16 175.32 1yop n GLU 69 N -4.46 0.70 -0.01 1.82 1.02 -0.46 -4.23 120.64 115.02 1yop n GLU 69 Ca 0.05 0.24 -0.06 0.00 -0.02 0.00 0.00 57.16 57.37 1yop n GLU 69 Cb 0.09 -1.71 0.13 0.00 -0.02 0.00 0.00 31.44 29.93 1yop n GLU 69 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1yop h GLU 70 N 0.03 0.55 -6.05 3.49 5.08 -0.44 -3.44 114.58 113.80 1yop h GLU 70 Ca -0.40 -0.26 -0.57 0.00 -1.00 0.00 0.00 59.36 57.13 1yop h GLU 70 Cb 2.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 1yop h GLU 70 CO 0.06 0.83 -0.43 0.00 -1.00 0.00 0.00 179.01 178.47 1yop s ALA 71 N -4.32 3.93 -1.24 3.43 0.00 0.14 -5.03 121.76 118.68 1yop s ALA 71 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 1yop s ALA 71 Cb 0.13 -1.89 0.15 0.00 0.00 0.00 0.00 23.12 21.51 1yop s ALA 71 CO 0.82 0.64 1.56 0.41 0.00 0.00 0.00 175.76 179.19 1yop n GLY 72 N -0.18 3.47 2.92 0.00 0.00 -1.26 -4.76 105.19 105.38 1yop n GLY 72 Ca -0.05 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1yop n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yop s ILE 73 N 1.84 0.22 0.25 -0.61 -0.00 -1.26 -4.84 121.20 116.80 1yop s ILE 73 Ca 0.44 -0.13 0.06 0.00 -0.00 0.00 0.00 60.65 61.03 1yop s ILE 73 Cb 0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 42.46 42.24 1yop s ILE 73 CO 0.01 0.05 0.25 -1.00 -0.00 0.00 0.00 174.94 174.25 1yop s HIS 74 N -0.09 3.21 -0.32 1.37 3.76 -1.26 -4.97 115.29 117.00 1yop s HIS 74 Ca 0.01 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 1yop s HIS 74 Cb -0.01 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 1yop s HIS 74 CO -0.00 0.49 1.70 -1.25 -0.85 0.00 0.00 174.74 174.83 1yop s PRO 75 N -3.89 3.47 0.92 8.40 0.04 -1.26 -5.00 135.00 137.68 1yop s PRO 75 Ca 0.33 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1yop s PRO 75 Cb -0.08 -4.14 0.14 0.00 0.04 0.00 0.00 34.50 30.46 1yop s PRO 75 CO 0.26 -1.70 1.09 -1.25 0.04 0.00 0.00 177.00 175.45 1yop s PRO 76 N 5.34 1.06 -0.68 0.56 0.04 -1.26 -5.02 135.00 135.04 1yop s PRO 76 Ca 0.75 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1yop s PRO 76 Cb -0.21 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.70 1yop s PRO 76 CO 0.33 -2.35 0.48 -1.21 0.04 0.00 0.00 177.00 174.30 1yop s GLU 77 N -4.97 2.58 -0.84 4.56 2.02 -1.26 -5.03 118.70 115.76 1yop s GLU 77 Ca 0.64 -2.86 -0.21 0.00 0.02 0.00 0.00 54.97 52.56 1yop s GLU 77 Cb -0.18 -3.64 -0.19 0.00 0.10 0.00 0.00 34.13 30.22 1yop s GLU 77 CO 0.57 -1.20 2.24 -2.30 0.02 0.00 0.00 175.26 174.59 1yop n PRO 78 N 2.89 0.34 -0.06 0.39 -0.02 -1.26 -4.57 135.00 132.72 1yop n PRO 78 Ca 0.12 -0.76 -0.08 0.00 -2.02 0.00 0.00 63.50 60.76 1yop n PRO 78 Cb 0.36 -3.02 -0.05 0.00 -0.02 0.00 0.00 33.50 30.76 1yop n PRO 78 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1yop n ILE 79 N 7.93 0.64 -1.03 4.25 3.06 -1.26 -5.14 119.36 127.81 1yop n ILE 79 Ca 0.48 -0.24 0.09 0.00 -2.50 0.00 0.00 62.75 60.58 1yop n ILE 79 Cb 0.38 -0.95 -0.05 0.00 0.54 0.00 0.00 39.64 39.56 1yop n ILE 79 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1yop n ALA 80 N -2.88 -2.34 -2.92 1.51 0.00 -1.26 -4.60 120.51 108.02 1yop n ALA 80 Ca -0.20 0.57 -0.44 0.00 0.00 0.00 0.00 53.44 53.38 1yop n ALA 80 Cb 0.71 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1yop n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop s ALA 81 N -4.22 3.26 -0.48 0.00 0.00 -1.26 -4.50 121.76 114.56 1yop s ALA 81 Ca 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 51.96 49.57 1yop s ALA 81 Cb 0.00 -3.90 0.01 0.00 0.00 0.00 0.00 23.12 19.23 1yop s ALA 81 CO 0.00 -2.81 0.57 0.00 0.00 0.00 0.00 175.76 173.52 1yop n ALA 82 N 7.03 -2.80 1.23 0.00 0.00 -1.26 -5.36 120.51 119.34 1yop n ALA 82 Ca 0.07 0.69 0.13 0.00 0.00 0.00 0.00 53.44 54.34 1yop n ALA 82 Cb 0.47 -2.70 0.29 0.00 0.00 0.00 0.00 19.45 17.50 1yop n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50