#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 3.64 0.08 1.12 -7.23 -1.26 -5.14 120.40 111.61 1yop s VAL 2 Ca 0.00 -1.24 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1yop s VAL 2 Cb 0.00 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 1yop s VAL 2 CO 0.00 -0.15 -0.21 -0.44 -0.31 0.00 0.00 175.10 173.99 1yop s SER 3 N -4.07 2.48 0.05 4.85 0.01 -1.26 -5.16 113.70 110.60 1yop s SER 3 Ca 0.43 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 1yop s SER 3 Cb -0.07 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1yop s SER 3 CO 0.28 0.09 0.01 0.42 0.41 0.00 0.00 173.24 174.45 1yop s THR 4 N -1.03 0.18 -0.20 1.44 -4.23 -1.26 -4.57 115.64 105.97 1yop s THR 4 Ca 0.06 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1yop s THR 4 Cb -0.10 -1.21 -0.12 0.00 1.34 0.00 0.00 72.50 72.41 1yop s THR 4 CO 0.03 -0.83 -0.19 0.00 -0.54 0.00 0.00 174.62 173.10 1yop n TYR 5 N 0.43 0.00 -3.61 3.99 4.19 -0.73 -5.02 117.16 116.41 1yop n TYR 5 Ca -0.16 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 60.94 1yop n TYR 5 Cb 0.60 -0.75 -0.04 0.00 0.49 0.00 0.00 39.34 39.64 1yop n TYR 5 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1yop s ASP 6 N -6.03 -0.33 -0.19 2.98 2.15 -1.26 -5.08 116.67 108.90 1yop s ASP 6 Ca -0.27 -0.28 -0.01 0.00 0.43 0.00 0.00 52.55 52.43 1yop s ASP 6 Cb 0.07 0.54 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 1yop s ASP 6 CO 0.44 -0.94 -0.14 -1.83 -0.17 0.00 0.00 175.17 172.53 1yop s GLU 7 N -3.81 3.13 0.15 4.34 1.03 -1.26 -1.29 118.70 120.99 1yop s GLU 7 Ca 0.04 -0.76 0.07 0.00 0.03 0.00 0.00 54.97 54.36 1yop s GLU 7 Cb 0.00 -2.73 -0.04 0.00 -0.80 0.00 0.00 34.13 30.56 1yop s GLU 7 CO -0.10 -0.21 -0.03 0.42 -1.33 0.00 0.00 175.26 174.01 1yop s ILE 8 N 1.36 3.61 0.11 1.83 1.09 0.92 -4.96 121.20 125.15 1yop s ILE 8 Ca 0.05 -1.38 0.03 0.00 -1.10 0.00 0.00 60.65 58.25 1yop s ILE 8 Cb -0.13 -2.78 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 1yop s ILE 8 CO -0.10 -0.04 0.16 -1.61 -0.10 0.00 0.00 174.94 173.26 1yop s GLU 9 N -2.71 3.13 0.38 2.79 2.02 -1.26 -1.19 118.70 121.86 1yop s GLU 9 Ca 0.26 -0.65 0.07 0.00 0.02 0.00 0.00 54.97 54.67 1yop s GLU 9 Cb -0.10 -2.83 0.81 0.00 0.10 0.00 0.00 34.13 32.11 1yop s GLU 9 CO 0.17 0.55 1.99 0.97 0.02 0.00 0.00 175.26 178.96 1yop h ILE 10 N 2.15 1.02 -0.22 -1.63 6.09 -1.49 -1.10 117.51 122.34 1yop h ILE 10 Ca -0.47 -0.23 -0.04 0.00 -1.37 0.00 0.00 64.86 62.76 1yop h ILE 10 Cb 1.18 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1yop h ILE 10 CO 0.68 0.12 -0.04 1.05 -3.07 0.00 0.00 178.15 176.90 1yop h GLU 11 N 0.66 0.33 -1.13 2.19 4.11 -1.95 -2.54 114.58 116.25 1yop h GLU 11 Ca 0.27 -0.06 -0.51 0.00 0.07 0.00 0.00 59.36 59.13 1yop h GLU 11 Cb 0.22 -0.05 -0.24 0.00 0.50 0.00 0.00 28.75 29.18 1yop h GLU 11 CO -0.08 0.39 0.65 -0.25 0.07 0.00 0.00 179.01 179.79 1yop n ASP 12 N -4.32 6.09 -4.16 3.06 9.92 -0.42 -4.90 116.55 121.82 1yop n ASP 12 Ca 0.00 -3.45 -0.24 0.00 -0.53 0.00 0.00 54.79 50.57 1yop n ASP 12 Cb 0.22 -0.93 -0.15 0.00 -0.64 0.00 0.00 41.12 39.62 1yop n ASP 12 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1yop s MET 13 N -2.96 1.31 0.37 -1.24 1.75 -0.96 -4.79 119.30 112.78 1yop s MET 13 Ca 0.51 -0.63 -0.28 0.00 -1.25 0.00 0.00 55.69 54.03 1yop s MET 13 Cb 0.40 -1.28 -0.11 0.00 2.84 0.00 0.00 34.83 36.68 1yop s MET 13 CO 0.02 0.35 1.47 0.99 -0.65 0.00 0.00 175.02 177.20 1yop s THR 14 N -0.46 2.12 -0.13 10.11 2.01 0.17 -4.86 115.64 124.60 1yop s THR 14 Ca 0.06 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1yop s THR 14 Cb -0.07 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1yop s THR 14 CO -0.00 0.03 0.04 -0.36 -0.69 0.00 0.00 174.62 173.63 1yop s PHE 15 N -1.13 3.23 -0.58 4.92 0.40 -1.26 -0.84 117.98 122.72 1yop s PHE 15 Ca 0.53 0.14 0.02 0.00 -0.60 0.00 0.00 56.93 57.01 1yop s PHE 15 Cb -0.46 -1.93 0.15 0.00 0.51 0.00 0.00 43.02 41.29 1yop s PHE 15 CO 0.62 0.34 0.35 -2.00 0.70 0.00 0.00 175.22 175.23 1yop s GLU 16 N -0.32 2.24 -0.83 0.44 2.56 -0.05 -4.91 118.70 117.84 1yop s GLU 16 Ca 0.08 -2.70 -0.14 0.00 0.00 0.00 0.00 54.97 52.21 1yop s GLU 16 Cb -0.12 -3.47 -0.10 0.00 2.00 0.00 0.00 34.13 32.44 1yop s GLU 16 CO 0.02 -1.15 1.99 -2.30 -0.56 0.00 0.00 175.26 173.26 1yop n PRO 17 N 3.06 1.75 0.03 4.30 -0.02 -1.26 -3.43 135.00 139.42 1yop n PRO 17 Ca 0.08 -1.64 0.00 0.00 -2.02 0.00 0.00 63.50 59.92 1yop n PRO 17 Cb 0.34 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1yop n PRO 17 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1yop n GLU 18 N 5.65 0.00 -1.65 -0.52 0.28 -1.26 -4.94 120.64 118.20 1yop n GLU 18 Ca 0.46 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.49 1yop n GLU 18 Cb 0.27 -0.07 0.05 0.00 1.43 0.00 0.00 31.44 33.11 1yop n GLU 18 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1yop n ASN 19 N -2.75 1.31 -3.34 -1.84 3.02 -1.25 -4.92 115.26 105.50 1yop n ASN 19 Ca 0.00 -2.28 -0.17 0.00 -0.03 0.00 0.00 54.58 52.09 1yop n ASN 19 Cb 0.06 -0.36 0.05 0.00 -0.61 0.00 0.00 39.78 38.92 1yop n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yop n GLN 20 N 0.07 -1.82 -4.10 3.52 1.13 -1.25 -4.89 117.38 110.04 1yop n GLN 20 Ca 0.09 0.86 -0.15 0.00 -1.94 0.00 0.00 57.00 55.87 1yop n GLN 20 Cb 1.03 -5.29 -0.12 0.00 0.11 0.00 0.00 30.24 25.97 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yop s MET 21 N -4.58 0.64 -0.11 -1.09 0.23 -1.22 -2.99 119.30 110.17 1yop s MET 21 Ca 0.38 -0.85 0.03 0.00 -1.03 0.00 0.00 55.69 54.22 1yop s MET 21 Cb -0.08 -0.46 0.01 0.00 -1.53 0.00 0.00 34.83 32.77 1yop s MET 21 CO 0.78 0.09 -0.19 -0.06 -2.03 0.00 0.00 175.02 173.61 1yop s PHE 22 N -1.43 2.24 0.19 3.16 0.40 -0.06 -0.87 117.98 121.61 1yop s PHE 22 Ca -0.07 -1.03 0.07 0.00 -0.60 0.00 0.00 56.93 55.31 1yop s PHE 22 Cb -0.09 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1yop s PHE 22 CO 0.01 -0.48 0.07 0.95 0.70 0.00 0.00 175.22 176.46 1yop s THR 23 N 0.76 4.00 -0.24 0.64 -4.23 -0.02 -2.00 115.64 114.55 1yop s THR 23 Ca -0.10 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1yop s THR 23 Cb -0.16 -3.06 0.12 0.00 1.34 0.00 0.00 72.50 70.74 1yop s THR 23 CO 0.01 -0.18 0.30 -0.47 -0.54 0.00 0.00 174.62 173.75 1yop s TYR 24 N -1.87 -0.55 -0.72 3.99 5.04 -1.19 0.41 117.35 122.46 1yop s TYR 24 Ca 0.30 0.36 -0.25 0.00 -2.44 0.00 0.00 57.07 55.03 1yop s TYR 24 Cb -0.09 -0.24 -0.14 0.00 0.35 0.00 0.00 41.96 41.84 1yop s TYR 24 CO 0.21 -0.73 2.44 -2.30 -1.34 0.00 0.00 175.55 173.83 1yop n PRO 25 N 5.34 0.61 -1.94 4.97 -0.02 -1.26 -0.77 135.00 141.92 1yop n PRO 25 Ca -0.04 -0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 60.79 1yop n PRO 25 Cb 0.49 -2.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.04 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 3.47 0.00 -0.05 0.00 0.13 -1.90 -0.46 132.00 133.18 1yop h PRO 27 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1yop h PRO 27 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1yop h PRO 27 CO 0.67 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.48 1yop n GLY 29 N -1.50 0.67 0.00 0.00 0.00 -0.19 -5.03 105.19 99.14 1yop n GLY 29 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.99 -4.19 1.61 2.03 -1.20 -4.98 116.55 111.81 1yop n ASP 30 Ca 0.00 -0.47 -0.27 0.00 0.52 0.00 0.00 54.79 54.57 1yop n ASP 30 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1yop n ASP 30 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1yop s ARG 31 N -0.41 1.68 0.69 -0.67 6.06 -1.26 -0.85 118.95 124.19 1yop s ARG 31 Ca 0.00 -0.69 -0.10 0.00 -2.50 0.00 0.00 55.73 52.43 1yop s ARG 31 Cb 0.00 -1.57 0.02 0.00 0.06 0.00 0.00 34.95 33.46 1yop s ARG 31 CO 0.00 0.38 1.07 -0.06 -2.50 0.00 0.00 175.30 174.19 1yop s PHE 32 N -0.34 3.27 -0.24 5.12 0.08 0.05 -4.84 117.98 121.08 1yop s PHE 32 Ca 0.05 0.93 -0.09 0.00 0.12 0.00 0.00 56.93 57.93 1yop s PHE 32 Cb -0.09 -3.05 0.10 0.00 -0.57 0.00 0.00 43.02 39.41 1yop s PHE 32 CO 0.00 -1.17 0.52 1.14 -0.10 0.00 0.00 175.22 175.61 1yop s GLN 33 N -5.31 0.46 -0.14 0.44 -2.07 -1.26 -3.19 119.66 108.60 1yop s GLN 33 Ca 0.58 1.15 -0.11 0.00 -1.82 0.00 0.00 55.36 55.16 1yop s GLN 33 Cb -0.11 0.41 0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1yop s GLN 33 CO 0.50 -0.21 0.36 -1.50 -1.32 0.00 0.00 175.29 173.12 1yop s ILE 34 N 2.38 -0.01 0.24 3.63 2.07 -0.85 -4.99 121.20 123.67 1yop s ILE 34 Ca -0.05 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1yop s ILE 34 Cb -0.10 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 1yop s ILE 34 CO -0.16 0.02 0.43 -0.31 -1.91 0.00 0.00 174.94 173.01 1yop s TYR 35 N 0.61 3.48 0.21 3.50 1.51 -1.26 -0.89 117.35 124.51 1yop s TYR 35 Ca -0.03 0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 56.26 1yop s TYR 35 Cb -0.05 -1.84 0.14 0.00 -0.11 0.00 0.00 41.96 40.10 1yop s TYR 35 CO -0.04 0.32 1.75 -0.07 -1.11 0.00 0.00 175.55 176.40 1yop h LEU 36 N 1.59 1.07 -1.43 -1.29 3.38 -1.88 -2.60 115.31 114.15 1yop h LEU 36 Ca -0.49 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.32 1yop h LEU 36 Cb 1.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1yop h LEU 36 CO 0.65 0.98 0.41 -0.78 0.09 0.00 0.00 178.44 179.79 1yop h ASP 37 N 1.11 0.65 0.50 -0.43 3.58 -1.95 0.36 116.42 120.23 1yop h ASP 37 Ca 0.25 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1yop h ASP 37 Cb 0.26 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1yop h ASP 37 CO -0.01 0.45 -0.24 0.44 -2.88 0.00 0.00 179.24 176.99 1yop h ASP 38 N 0.75 -0.57 -0.28 2.28 3.32 -1.88 -2.68 116.42 117.36 1yop h ASP 38 Ca 0.25 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1yop h ASP 38 Cb 0.05 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1yop h ASP 38 CO -0.06 -0.17 0.10 0.00 -1.72 0.00 0.00 179.24 177.39 1yop h MET 39 N -1.10 0.50 -0.42 3.56 -0.00 -1.36 -2.71 114.93 113.40 1yop h MET 39 Ca -0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1yop h MET 39 Cb 0.58 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.07 1yop h MET 39 CO 0.11 0.45 0.27 0.35 -0.00 0.00 0.00 176.91 178.10 1yop h PHE 40 N 0.50 0.54 -0.77 -0.10 3.57 -0.32 -2.24 116.94 118.11 1yop h PHE 40 Ca 0.12 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1yop h PHE 40 Cb 0.16 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1yop h PHE 40 CO 0.01 0.35 0.51 1.49 -2.23 0.00 0.00 178.31 178.43 1yop h GLU 41 N 0.57 0.84 0.00 1.11 4.81 -1.14 -3.45 114.58 117.32 1yop h GLU 41 Ca 0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1yop h GLU 41 Cb -0.05 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1yop h GLU 41 CO -0.03 0.56 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 1yop n GLY 42 N -1.43 -0.37 3.01 1.92 0.00 -0.87 -5.14 105.19 102.31 1yop n GLY 42 Ca 0.11 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 2.09 -0.02 1.61 2.56 -1.03 -4.97 118.70 118.94 1yop s GLU 43 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.97 54.47 1yop s GLU 43 Cb 0.00 -1.89 -0.01 0.00 2.00 0.00 0.00 34.13 34.23 1yop s GLU 43 CO 0.00 -0.17 -0.02 1.63 -0.56 0.00 0.00 175.26 176.14 1yop n LYS 44 N 4.56 0.04 -3.65 4.30 5.02 -1.26 -4.73 118.16 122.44 1yop n LYS 44 Ca -0.17 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 1yop n LYS 44 Cb 0.51 -0.80 -0.12 0.00 -0.02 0.00 0.00 35.03 34.60 1yop n LYS 44 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yop s VAL 45 N -2.03 4.56 0.11 -0.18 0.11 -1.26 -2.32 120.40 119.38 1yop s VAL 45 Ca -0.02 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1yop s VAL 45 Cb 0.01 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1yop s VAL 45 CO 0.04 0.01 0.06 0.00 -3.33 0.00 0.00 175.10 171.88 1yop s ALA 46 N 1.60 3.46 -0.18 1.54 0.00 -1.20 -4.97 121.76 122.01 1yop s ALA 46 Ca 0.04 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 1yop s ALA 46 Cb -0.17 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1yop s ALA 46 CO 0.06 0.66 0.04 0.08 0.00 0.00 0.00 175.76 176.60 1yop s VAL 47 N -1.47 4.55 0.22 0.00 1.01 -1.26 -3.35 120.40 120.10 1yop s VAL 47 Ca 0.28 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1yop s VAL 47 Cb -0.11 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1yop s VAL 47 CO 0.21 0.47 1.30 0.00 0.00 0.00 0.00 175.10 177.08 1yop n PRO 49 N 2.33 1.73 0.09 0.00 -0.04 -1.26 -1.88 135.00 135.97 1yop n PRO 49 Ca 0.05 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1yop n PRO 49 Cb 0.43 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1yop n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1yop n SER 50 N 0.10 0.50 -0.00 3.54 7.64 -1.26 -4.90 113.62 119.24 1yop n SER 50 Ca 0.05 0.29 0.10 0.00 1.01 0.00 0.00 58.87 60.32 1yop n SER 50 Cb 0.41 0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.49 1yop n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yop n SER 52 N -1.77 -4.71 -4.74 0.00 2.88 -0.79 -4.98 113.62 99.50 1yop n SER 52 Ca 0.01 -0.16 -0.40 0.00 -1.33 0.00 0.00 58.87 56.99 1yop n SER 52 Cb 0.40 -3.64 -0.05 0.00 -0.75 0.00 0.00 64.21 60.17 1yop n SER 52 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yop s LEU 53 N -4.71 4.40 -0.03 2.46 2.96 -1.26 -4.67 118.68 117.83 1yop s LEU 53 Ca 0.16 1.28 -0.27 0.00 -0.22 0.00 0.00 54.13 55.09 1yop s LEU 53 Cb -0.07 -3.10 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1yop s LEU 53 CO 0.20 -0.00 0.86 -0.04 -1.32 0.00 0.00 176.35 176.06 1yop s MET 54 N 0.18 4.51 0.01 1.98 -1.94 -1.26 -3.25 119.30 119.53 1yop s MET 54 Ca 0.36 1.20 0.02 0.00 -1.71 0.00 0.00 55.69 55.56 1yop s MET 54 Cb -0.19 -3.46 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 1yop s MET 54 CO 0.20 -0.01 -0.06 0.96 -0.01 0.00 0.00 175.02 176.10 1yop s ILE 55 N 0.94 0.46 -0.63 2.53 -4.36 -1.21 -1.78 121.20 117.15 1yop s ILE 55 Ca 0.46 -0.51 -0.21 0.00 -0.26 0.00 0.00 60.65 60.14 1yop s ILE 55 Cb -0.20 -0.44 0.09 0.00 1.25 0.00 0.00 42.46 43.16 1yop s ILE 55 CO 0.24 -0.04 0.84 -1.81 0.24 0.00 0.00 174.94 174.40 1yop s ASP 56 N -0.60 6.18 -0.37 4.36 1.01 -0.41 -3.23 116.67 123.61 1yop s ASP 56 Ca -0.02 -1.22 -0.10 0.00 0.71 0.00 0.00 52.55 51.92 1yop s ASP 56 Cb -0.05 -2.36 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1yop s ASP 56 CO 0.00 -1.28 0.19 0.54 0.21 0.00 0.00 175.17 174.83 1yop s VAL 57 N 3.36 4.46 0.16 -1.27 0.11 -0.98 -0.06 120.40 126.19 1yop s VAL 57 Ca 0.17 -0.87 -0.28 0.00 -2.93 0.00 0.00 61.98 58.07 1yop s VAL 57 Cb -0.20 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.09 1yop s VAL 57 CO 0.08 -0.21 0.86 0.54 -3.33 0.00 0.00 175.10 173.05 1yop s VAL 58 N 1.54 4.35 0.48 2.04 0.11 -0.34 -4.72 120.40 123.86 1yop s VAL 58 Ca 0.02 1.89 0.04 0.00 -2.93 0.00 0.00 61.98 61.00 1yop s VAL 58 Cb -0.19 -4.23 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 1yop s VAL 58 CO 0.06 0.45 0.10 0.72 -3.33 0.00 0.00 175.10 173.10 1yop s PHE 59 N -0.77 2.08 -0.05 1.54 -0.12 -1.26 -1.13 117.98 118.27 1yop s PHE 59 Ca 0.40 -0.82 0.01 0.00 -0.05 0.00 0.00 56.93 56.47 1yop s PHE 59 Cb -0.24 -1.76 0.02 0.00 -0.63 0.00 0.00 43.02 40.42 1yop s PHE 59 CO 0.28 0.14 -0.04 0.34 -0.05 0.00 0.00 175.22 175.90 1yop s ASP 60 N -3.92 1.06 0.20 1.98 -1.08 -1.26 -4.97 116.67 108.68 1yop s ASP 60 Ca 0.22 -0.13 -0.11 0.00 -0.52 0.00 0.00 52.55 52.01 1yop s ASP 60 Cb 0.03 -0.46 0.13 0.00 -1.46 0.00 0.00 42.92 41.15 1yop s ASP 60 CO 0.12 -0.07 1.81 0.11 0.52 0.00 0.00 175.17 177.67 1yop h LYS 61 N 7.32 0.97 -0.69 4.34 6.56 -2.01 -2.29 116.57 130.77 1yop h LYS 61 Ca -0.36 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.06 1yop h LYS 61 Cb 1.15 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.59 1yop h LYS 61 CO 0.45 0.72 0.21 0.93 -2.06 0.00 0.00 179.45 179.70 1yop h GLU 62 N 0.96 1.07 -0.59 3.15 5.08 -2.00 -2.75 114.58 119.50 1yop h GLU 62 Ca 0.25 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1yop h GLU 62 Cb 0.03 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1yop h GLU 62 CO -0.04 0.92 0.30 0.22 -1.00 0.00 0.00 179.01 179.42 1yop h ASP 63 N 1.03 0.43 0.33 1.42 1.82 -1.85 -0.33 116.42 119.27 1yop h ASP 63 Ca 0.22 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1yop h ASP 63 Cb 0.31 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 1yop h ASP 63 CO -0.01 0.28 -0.30 -0.07 -1.61 0.00 0.00 179.24 177.54 1yop h LEU 64 N 0.57 -0.80 -0.31 2.28 4.07 -1.15 0.54 115.31 120.51 1yop h LEU 64 Ca 0.27 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1yop h LEU 64 Cb 0.18 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1yop h LEU 64 CO -0.18 -0.44 0.20 0.00 -1.08 0.00 0.00 178.44 176.94 1yop h ALA 65 N -0.10 0.39 -0.59 1.53 0.00 -1.37 0.38 119.26 119.51 1yop h ALA 65 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1yop h ALA 65 Cb 0.58 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1yop h ALA 65 CO -0.04 -0.14 0.23 0.93 0.00 0.00 0.00 179.25 180.23 1yop h GLU 66 N 0.42 0.89 -0.24 0.00 4.39 -0.92 -2.80 114.58 116.31 1yop h GLU 66 Ca 0.11 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1yop h GLU 66 Cb -0.04 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1yop h GLU 66 CO -0.02 0.76 -0.44 -0.92 -1.16 0.00 0.00 179.01 177.23 1yop h TYR 67 N 0.82 0.73 0.14 4.33 3.20 0.34 -1.73 116.97 124.79 1yop h TYR 67 Ca 0.20 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1yop h TYR 67 Cb 0.21 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1yop h TYR 67 CO 0.01 0.93 -0.26 -0.92 -1.64 0.00 0.00 178.16 176.29 1yop h TYR 68 N 0.49 -0.69 -0.23 -3.82 3.20 -0.01 0.22 116.97 116.13 1yop h TYR 68 Ca 0.04 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 1yop h TYR 68 Cb 0.96 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1yop h TYR 68 CO 0.04 -0.36 -0.43 1.49 -1.64 0.00 0.00 178.16 177.25 1yop h GLU 69 N -0.48 0.56 -0.63 1.82 4.81 -1.54 -3.10 114.58 116.02 1yop h GLU 69 Ca 0.02 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 1yop h GLU 69 Cb 0.49 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1yop h GLU 69 CO -0.13 0.88 0.16 0.93 -0.73 0.00 0.00 179.01 180.12 1yop h GLU 70 N 0.45 0.98 0.65 1.92 5.08 -0.96 -3.27 114.58 119.42 1yop h GLU 70 Ca 0.03 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1yop h GLU 70 Cb 0.94 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1yop h GLU 70 CO 0.08 0.87 -0.31 0.00 -1.00 0.00 0.00 179.01 178.65 1yop h ALA 71 N 1.23 -0.99 -0.33 3.43 0.00 -0.51 -3.49 119.26 118.60 1yop h ALA 71 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yop h ALA 71 Cb 0.33 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1yop h ALA 71 CO -0.00 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 178.74 1yop n GLY 72 N -0.73 1.06 3.76 0.00 0.00 -1.18 -5.03 105.19 103.07 1yop n GLY 72 Ca -0.11 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1yop n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yop s ILE 73 N -2.33 3.42 -0.38 -0.61 2.07 -1.26 -5.00 121.20 117.12 1yop s ILE 73 Ca 0.00 1.34 -0.04 0.00 -1.41 0.00 0.00 60.65 60.54 1yop s ILE 73 Cb 0.00 -3.82 0.21 0.00 0.13 0.00 0.00 42.46 38.99 1yop s ILE 73 CO 0.00 0.25 1.04 1.57 -1.91 0.00 0.00 174.94 175.89 1yop n HIS 74 N 0.81 -1.32 -1.48 3.50 -0.00 -1.26 -5.12 115.22 110.35 1yop n HIS 74 Ca 0.01 -0.80 -0.46 0.00 0.46 0.00 0.00 57.72 56.92 1yop n HIS 74 Cb 0.45 1.17 -0.07 0.00 -0.12 0.00 0.00 29.99 31.42 1yop n HIS 74 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1yop n PRO 75 N 2.60 0.96 0.01 1.57 -0.02 -1.26 -4.86 135.00 134.00 1yop n PRO 75 Ca 0.12 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 1yop n PRO 75 Cb 0.63 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 1yop n PRO 75 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1yop h PRO 76 N 13.95 -0.05 -1.36 0.52 0.13 -2.03 -3.48 132.00 139.68 1yop h PRO 76 Ca -0.24 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.04 1yop h PRO 76 Cb 1.31 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.20 1yop h PRO 76 CO 1.10 0.38 0.72 -1.21 -0.23 0.00 0.00 178.00 178.76 1yop s GLU 77 N -4.43 0.37 1.16 0.86 2.02 -1.26 -5.18 118.70 112.23 1yop s GLU 77 Ca -0.15 0.08 -0.19 0.00 0.02 0.00 0.00 54.97 54.72 1yop s GLU 77 Cb 0.02 0.18 0.28 0.00 0.10 0.00 0.00 34.13 34.70 1yop s GLU 77 CO 0.65 -0.12 1.20 -1.25 0.02 0.00 0.00 175.26 175.76 1yop s PRO 78 N -1.13 -0.89 -0.25 0.39 0.04 -1.26 -5.04 135.00 126.86 1yop s PRO 78 Ca 0.03 -0.31 0.21 0.00 0.04 0.00 0.00 61.00 60.97 1yop s PRO 78 Cb -0.01 -1.66 0.50 0.00 0.04 0.00 0.00 34.50 33.37 1yop s PRO 78 CO -0.03 -3.45 1.13 -0.89 0.04 0.00 0.00 177.00 173.80 1yop n ILE 79 N -4.52 1.38 -4.02 0.56 5.41 -1.26 -5.08 119.36 111.83 1yop n ILE 79 Ca 0.16 -2.99 -0.12 0.00 1.00 0.00 0.00 62.75 60.80 1yop n ILE 79 Cb 0.60 0.92 -0.12 0.00 -0.71 0.00 0.00 39.64 40.33 1yop n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yop s ALA 80 N -3.53 0.34 -0.00 -1.39 0.00 -1.26 -5.10 121.76 110.82 1yop s ALA 80 Ca 0.31 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1yop s ALA 80 Cb 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 1yop s ALA 80 CO -0.04 -0.06 0.53 0.00 0.00 0.00 0.00 175.76 176.20 1yop h ALA 81 N 4.85 -0.52 0.00 0.00 0.00 -2.07 -3.44 119.26 118.07 1yop h ALA 81 Ca -0.33 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1yop h ALA 81 Cb 1.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1yop h ALA 81 CO 0.43 -0.52 -1.33 0.00 0.00 0.00 0.00 179.25 177.83 1yop n ALA 82 N -2.06 2.00 -1.69 0.00 0.00 -1.26 -5.23 120.51 112.28 1yop n ALA 82 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1yop n ALA 82 Cb 0.02 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1yop n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50