#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 0.05 0.01 2.03 0.11 -1.26 -5.17 120.40 116.17 1yop s VAL 2 Ca 0.00 -0.42 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 1yop s VAL 2 Cb 0.00 -0.52 0.09 0.00 -1.53 0.00 0.00 36.38 34.42 1yop s VAL 2 CO 0.00 -0.23 0.78 -0.44 -3.33 0.00 0.00 175.10 171.88 1yop s SER 3 N -1.00 -0.48 0.54 3.54 0.01 -1.26 -5.19 113.70 109.86 1yop s SER 3 Ca -0.11 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.43 1yop s SER 3 Cb -0.05 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1yop s SER 3 CO 0.03 -0.68 0.64 0.42 0.41 0.00 0.00 173.24 174.06 1yop s THR 4 N -2.64 2.17 -0.22 1.44 -4.23 -1.26 -5.03 115.64 105.87 1yop s THR 4 Ca -0.00 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1yop s THR 4 Cb -0.01 -2.31 -0.21 0.00 1.34 0.00 0.00 72.50 71.31 1yop s THR 4 CO -0.05 0.00 -0.04 -1.22 -0.54 0.00 0.00 174.62 172.77 1yop n TYR 5 N -2.03 0.12 -3.86 3.99 4.02 -1.19 -5.06 117.16 113.15 1yop n TYR 5 Ca 0.10 0.03 -0.08 0.00 -0.01 0.00 0.00 57.90 57.94 1yop n TYR 5 Cb 0.62 -1.02 -0.01 0.00 -0.02 0.00 0.00 39.34 38.91 1yop n TYR 5 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1yop s ASP 6 N -6.15 -0.10 -0.04 7.72 2.15 -1.26 -5.10 116.67 113.89 1yop s ASP 6 Ca -0.23 -0.87 -0.01 0.00 0.43 0.00 0.00 52.55 51.87 1yop s ASP 6 Cb 0.08 0.76 0.03 0.00 -0.30 0.00 0.00 42.92 43.49 1yop s ASP 6 CO 0.71 -1.46 0.03 -0.70 -0.17 0.00 0.00 175.17 173.58 1yop s GLU 7 N -3.31 0.15 0.12 4.34 -6.30 -1.26 -2.17 118.70 110.27 1yop s GLU 7 Ca 0.14 0.25 0.08 0.00 -2.50 0.00 0.00 54.97 52.94 1yop s GLU 7 Cb -0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 34.13 33.46 1yop s GLU 7 CO 0.09 -0.27 -0.18 0.42 0.02 0.00 0.00 175.26 175.34 1yop s ILE 8 N 1.81 1.64 0.17 -3.70 1.01 -1.04 -5.00 121.20 116.09 1yop s ILE 8 Ca 0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 58.98 1yop s ILE 8 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1yop s ILE 8 CO -0.03 -0.21 0.37 -1.83 0.00 0.00 0.00 174.94 173.23 1yop s GLU 9 N -2.29 3.53 0.35 2.79 -1.05 -1.26 -0.37 118.70 120.39 1yop s GLU 9 Ca 0.09 -0.31 0.04 0.00 -0.15 0.00 0.00 54.97 54.65 1yop s GLU 9 Cb -0.08 -2.86 0.64 0.00 -0.44 0.00 0.00 34.13 31.39 1yop s GLU 9 CO 0.05 0.44 1.91 0.97 0.95 0.00 0.00 175.26 179.58 1yop h ILE 10 N 1.70 1.18 -0.38 1.83 6.09 -0.60 -2.38 117.51 124.96 1yop h ILE 10 Ca -0.47 -0.65 0.04 0.00 -1.37 0.00 0.00 64.86 62.41 1yop h ILE 10 Cb 1.18 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.25 1yop h ILE 10 CO 0.70 0.23 0.25 -0.33 -3.07 0.00 0.00 178.15 175.94 1yop h GLU 11 N 0.55 0.36 -1.08 2.19 5.08 -1.95 -1.67 114.58 118.06 1yop h GLU 11 Ca 0.13 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.93 1yop h GLU 11 Cb 0.23 -0.08 -0.26 0.00 0.50 0.00 0.00 28.75 29.14 1yop h GLU 11 CO -0.00 0.24 0.69 -0.25 -1.00 0.00 0.00 179.01 178.68 1yop n ASP 12 N -4.48 5.93 -4.35 1.42 9.92 -0.90 -4.93 116.55 119.17 1yop n ASP 12 Ca 0.04 -3.52 -0.28 0.00 -0.53 0.00 0.00 54.79 50.50 1yop n ASP 12 Cb 0.18 -0.92 -0.13 0.00 -0.64 0.00 0.00 41.12 39.61 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 -3.13 1.39 0.05 -1.24 1.75 -0.63 -4.88 119.30 112.61 1yop s MET 13 Ca 0.53 -1.24 -0.31 0.00 -1.25 0.00 0.00 55.69 53.43 1yop s MET 13 Cb 0.43 -1.76 -0.07 0.00 2.84 0.00 0.00 34.83 36.27 1yop s MET 13 CO 0.03 0.42 1.43 0.99 -0.65 0.00 0.00 175.02 177.25 1yop s THR 14 N -1.03 3.47 -0.22 10.11 2.01 0.20 -4.94 115.64 125.25 1yop s THR 14 Ca 0.11 0.96 -0.16 0.00 0.31 0.00 0.00 61.69 62.91 1yop s THR 14 Cb -0.10 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1yop s THR 14 CO 0.05 0.03 0.40 0.12 -0.69 0.00 0.00 174.62 174.52 1yop s PHE 15 N 1.95 3.34 -0.64 4.92 5.36 -1.26 -1.72 117.98 129.93 1yop s PHE 15 Ca 0.65 0.57 -0.06 0.00 -0.96 0.00 0.00 56.93 57.13 1yop s PHE 15 Cb -0.34 -2.54 0.17 0.00 -0.34 0.00 0.00 43.02 39.96 1yop s PHE 15 CO 0.29 -0.07 0.49 -2.00 -1.46 0.00 0.00 175.22 172.47 1yop s GLU 16 N 1.51 2.76 -1.09 10.12 2.56 -0.47 -4.99 118.70 129.10 1yop s GLU 16 Ca 0.18 -2.38 -0.08 0.00 0.00 0.00 0.00 54.97 52.68 1yop s GLU 16 Cb -0.15 -3.91 -0.07 0.00 2.00 0.00 0.00 34.13 32.01 1yop s GLU 16 CO 0.08 -1.20 2.30 -0.35 -0.56 0.00 0.00 175.26 175.53 1yop n PRO 17 N 3.83 2.45 0.00 4.30 -0.04 -1.26 -3.43 135.00 140.84 1yop n PRO 17 Ca 0.07 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1yop n PRO 17 Cb 0.40 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1yop n PRO 17 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1yop n GLU 18 N 4.37 0.00 -1.75 0.54 0.28 -1.26 -4.93 120.64 117.90 1yop n GLU 18 Ca 0.53 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.56 1yop n GLU 18 Cb 0.19 -0.42 0.02 0.00 1.43 0.00 0.00 31.44 32.66 1yop n GLU 18 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1yop n ASN 19 N -2.39 0.93 -3.46 -1.84 2.85 -1.25 -4.96 115.26 105.15 1yop n ASN 19 Ca 0.00 -2.01 -0.23 0.00 -0.11 0.00 0.00 54.58 52.23 1yop n ASN 19 Cb 0.21 -0.28 0.06 0.00 1.24 0.00 0.00 39.78 41.02 1yop n ASN 19 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1yop n GLN 20 N 0.21 -1.79 -4.23 1.20 6.02 -1.25 -4.93 117.38 112.62 1yop n GLN 20 Ca 0.03 0.67 -0.19 0.00 -0.01 0.00 0.00 57.00 57.51 1yop n GLN 20 Cb 1.05 -5.02 -0.12 0.00 1.02 0.00 0.00 30.24 27.17 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yop s MET 21 N -5.16 0.86 -0.30 -1.09 0.23 -1.22 -3.13 119.30 109.48 1yop s MET 21 Ca 0.46 -0.90 0.02 0.00 -1.03 0.00 0.00 55.69 54.24 1yop s MET 21 Cb -0.11 -0.87 0.09 0.00 -1.53 0.00 0.00 34.83 32.41 1yop s MET 21 CO 0.80 0.20 0.03 -0.06 -2.03 0.00 0.00 175.02 173.96 1yop s PHE 22 N -1.14 2.86 0.36 3.16 0.40 -0.06 -1.37 117.98 122.18 1yop s PHE 22 Ca -0.01 -2.33 0.07 0.00 -0.60 0.00 0.00 56.93 54.06 1yop s PHE 22 Cb -0.09 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 1yop s PHE 22 CO 0.02 -0.89 0.46 0.95 0.70 0.00 0.00 175.22 176.46 1yop s THR 23 N 1.22 3.60 -0.28 0.64 -4.23 -0.70 -2.97 115.64 112.92 1yop s THR 23 Ca 0.06 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.24 1yop s THR 23 Cb -0.19 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.52 1yop s THR 23 CO -0.12 -0.11 0.90 -0.47 -0.54 0.00 0.00 174.62 174.28 1yop s TYR 24 N -2.26 -0.61 -0.09 3.99 6.14 -1.16 -0.62 117.35 122.72 1yop s TYR 24 Ca 0.47 1.48 -0.36 0.00 0.64 0.00 0.00 57.07 59.31 1yop s TYR 24 Cb -0.09 0.33 -0.13 0.00 0.42 0.00 0.00 41.96 42.49 1yop s TYR 24 CO 0.31 -0.30 1.79 -2.30 0.64 0.00 0.00 175.55 175.69 1yop n PRO 25 N 2.47 1.90 -3.35 4.97 -0.02 -1.26 0.52 135.00 140.22 1yop n PRO 25 Ca -0.13 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.66 1yop n PRO 25 Cb 0.56 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.53 0.00 -0.36 0.00 0.11 -1.93 -0.09 132.00 134.26 1yop h PRO 27 Ca -0.50 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 1yop h PRO 27 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yop h PRO 27 CO 0.63 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.05 1yop n GLY 29 N 0.07 2.41 1.90 0.00 0.00 -0.05 -5.06 105.19 104.46 1yop n GLY 29 Ca -0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1yop n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yop n ASP 30 N 0.00 -0.92 -4.30 1.61 9.92 -1.26 -4.60 116.55 117.01 1yop n ASP 30 Ca 0.00 -1.01 -0.32 0.00 -0.53 0.00 0.00 54.79 52.93 1yop n ASP 30 Cb 0.00 -0.53 -0.16 0.00 -0.64 0.00 0.00 41.12 39.79 1yop n ASP 30 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1yop s ARG 31 N -4.39 2.69 1.11 -1.24 0.52 -1.26 0.47 118.95 116.86 1yop s ARG 31 Ca 0.38 -0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 54.61 1yop s ARG 31 Cb -0.03 -2.25 0.25 0.00 0.52 0.00 0.00 34.95 33.45 1yop s ARG 31 CO 0.28 0.37 1.05 -0.06 0.02 0.00 0.00 175.30 176.96 1yop s PHE 32 N -0.11 1.49 -0.24 -0.53 0.08 0.18 -4.74 117.98 114.11 1yop s PHE 32 Ca -0.04 1.24 -0.09 0.00 0.12 0.00 0.00 56.93 58.16 1yop s PHE 32 Cb -0.14 -3.14 0.10 0.00 -0.57 0.00 0.00 43.02 39.26 1yop s PHE 32 CO 0.04 -3.60 0.52 -1.14 -0.10 0.00 0.00 175.22 170.94 1yop s GLN 33 N -4.55 0.46 -0.08 0.44 0.74 -1.26 -3.01 119.66 112.39 1yop s GLN 33 Ca 0.68 1.18 -0.07 0.00 0.05 0.00 0.00 55.36 57.19 1yop s GLN 33 Cb -0.24 0.47 0.02 0.00 1.10 0.00 0.00 33.01 34.37 1yop s GLN 33 CO 0.63 -0.21 0.22 -1.50 -0.55 0.00 0.00 175.29 173.87 1yop s ILE 34 N 2.50 -0.00 0.24 -2.34 2.07 -1.16 -5.00 121.20 117.50 1yop s ILE 34 Ca -0.05 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.20 1yop s ILE 34 Cb -0.11 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 1yop s ILE 34 CO -0.16 0.01 0.45 -0.31 -1.91 0.00 0.00 174.94 173.02 1yop s TYR 35 N 0.25 3.48 0.22 3.50 2.02 -1.26 -0.88 117.35 124.68 1yop s TYR 35 Ca -0.01 0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 57.02 1yop s TYR 35 Cb -0.03 -1.90 0.19 0.00 -0.40 0.00 0.00 41.96 39.82 1yop s TYR 35 CO -0.01 0.30 1.81 -0.07 -1.57 0.00 0.00 175.55 176.02 1yop h LEU 36 N 1.73 1.10 -1.01 -1.29 3.38 -1.90 -2.43 115.31 114.90 1yop h LEU 36 Ca -0.48 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 1yop h LEU 36 Cb 1.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1yop h LEU 36 CO 0.66 0.94 -0.16 -0.78 0.09 0.00 0.00 178.44 179.20 1yop h ASP 37 N 1.19 0.51 0.70 -0.43 1.82 -1.95 -0.64 116.42 117.63 1yop h ASP 37 Ca 0.28 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1yop h ASP 37 Cb 0.15 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.03 1yop h ASP 37 CO -0.03 0.70 -0.34 0.44 -1.61 0.00 0.00 179.24 178.40 1yop h ASP 38 N 0.48 -0.80 -0.30 2.28 5.19 -1.85 -1.62 116.42 119.80 1yop h ASP 38 Ca 0.08 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1yop h ASP 38 Cb 0.56 0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1yop h ASP 38 CO 0.04 -0.49 0.08 0.00 -3.12 0.00 0.00 179.24 175.74 1yop h MET 39 N -1.08 0.56 -0.46 3.56 -0.00 -1.47 -2.77 114.93 113.27 1yop h MET 39 Ca -0.10 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1yop h MET 39 Cb 0.75 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.24 1yop h MET 39 CO 0.16 0.53 0.27 0.35 -0.00 0.00 0.00 176.91 178.22 1yop h PHE 40 N 0.55 0.62 -0.94 -0.10 3.57 -1.02 -2.45 116.94 117.17 1yop h PHE 40 Ca 0.13 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1yop h PHE 40 Cb 0.23 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1yop h PHE 40 CO 0.01 0.45 0.59 1.49 -2.23 0.00 0.00 178.31 178.61 1yop h GLU 41 N 0.61 0.98 0.00 1.11 4.57 -1.00 -3.44 114.58 117.41 1yop h GLU 41 Ca 0.16 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1yop h GLU 41 Cb 0.02 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1yop h GLU 41 CO -0.03 0.65 0.00 0.41 -1.18 0.00 0.00 179.01 178.86 1yop n GLY 42 N -1.34 0.00 3.34 1.92 0.00 -0.97 -5.13 105.19 102.99 1yop n GLY 42 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 3.40 0.00 1.61 2.12 -0.96 -4.95 118.70 119.91 1yop s GLU 43 Ca 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1yop s GLU 43 Cb 0.00 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.49 1yop s GLU 43 CO 0.00 -0.06 0.00 1.63 -0.54 0.00 0.00 175.26 176.29 1yop n LYS 44 N 4.38 0.00 -3.74 4.30 5.02 -1.26 -4.52 118.16 122.34 1yop n LYS 44 Ca -0.18 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.73 1yop n LYS 44 Cb 0.51 -0.75 -0.12 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.92 3.99 0.33 -0.18 0.11 -1.26 -1.81 120.40 119.65 1yop s VAL 45 Ca 0.00 -0.81 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 1yop s VAL 45 Cb 0.00 -3.13 -0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1yop s VAL 45 CO 0.00 -0.01 0.40 0.00 -3.33 0.00 0.00 175.10 172.15 1yop s ALA 46 N 1.48 4.07 -0.09 1.54 0.00 -1.12 -4.89 121.76 122.76 1yop s ALA 46 Ca 0.02 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.50 1yop s ALA 46 Cb -0.18 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.45 1yop s ALA 46 CO 0.03 0.01 -0.18 0.54 0.00 0.00 0.00 175.76 176.16 1yop s VAL 47 N -2.20 1.58 0.24 0.00 0.11 -1.26 -2.63 120.40 116.23 1yop s VAL 47 Ca 0.43 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 1yop s VAL 47 Cb -0.08 -1.41 -0.09 0.00 -1.53 0.00 0.00 36.38 33.27 1yop s VAL 47 CO 0.29 0.45 1.35 0.00 -3.33 0.00 0.00 175.10 173.87 1yop n PRO 49 N 2.24 1.65 0.07 0.00 -0.04 -1.26 -1.53 135.00 136.11 1yop n PRO 49 Ca 0.05 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1yop n PRO 49 Cb 0.42 -1.59 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 0.45 -0.04 0.00 0.00 175.50 175.91 1yop n SER 50 N 0.12 0.36 -0.00 3.54 2.88 -1.26 -4.88 113.62 114.38 1yop n SER 50 Ca 0.06 0.21 0.10 0.00 -1.33 0.00 0.00 58.87 57.90 1yop n SER 50 Cb 0.45 0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.53 -6.17 -4.62 0.00 3.41 -0.59 -4.97 113.62 99.15 1yop n SER 52 Ca 0.03 -0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 57.93 1yop n SER 52 Cb 0.33 -4.95 -0.08 0.00 -0.26 0.00 0.00 64.21 59.25 1yop n SER 52 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yop s LEU 53 N -6.72 4.07 0.16 1.04 0.20 -1.26 -4.75 118.68 111.42 1yop s LEU 53 Ca 0.34 0.37 -0.22 0.00 0.69 0.00 0.00 54.13 55.32 1yop s LEU 53 Cb -0.15 -2.48 -0.08 0.00 -0.43 0.00 0.00 46.19 43.06 1yop s LEU 53 CO 0.42 -0.17 0.71 -0.04 -0.29 0.00 0.00 176.35 176.98 1yop s MET 54 N 1.91 4.37 -0.01 1.98 -1.94 -1.26 -3.11 119.30 121.24 1yop s MET 54 Ca 0.17 0.96 -0.08 0.00 -1.71 0.00 0.00 55.69 55.02 1yop s MET 54 Cb -0.15 -3.13 0.01 0.00 2.01 0.00 0.00 34.83 33.56 1yop s MET 54 CO 0.09 0.53 0.16 0.96 -0.01 0.00 0.00 175.02 176.75 1yop s ILE 55 N -1.26 0.07 -0.52 2.53 -4.36 -1.08 -3.14 121.20 113.43 1yop s ILE 55 Ca 0.36 -0.55 -0.20 0.00 -0.26 0.00 0.00 60.65 60.01 1yop s ILE 55 Cb -0.20 -0.42 0.06 0.00 1.25 0.00 0.00 42.46 43.15 1yop s ILE 55 CO 0.23 -0.30 0.68 -1.81 0.24 0.00 0.00 174.94 173.97 1yop s ASP 56 N -1.12 6.23 -0.38 4.36 1.01 -0.92 -2.78 116.67 123.07 1yop s ASP 56 Ca -0.12 -0.91 -0.14 0.00 0.71 0.00 0.00 52.55 52.09 1yop s ASP 56 Cb -0.06 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1yop s ASP 56 CO 0.02 -0.97 0.27 0.54 0.21 0.00 0.00 175.17 175.24 1yop s VAL 57 N 2.81 5.24 0.01 -1.27 0.11 -0.75 -2.50 120.40 124.05 1yop s VAL 57 Ca 0.16 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.45 1yop s VAL 57 Cb -0.19 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 1yop s VAL 57 CO 0.12 -0.17 0.93 0.54 -3.33 0.00 0.00 175.10 173.19 1yop s VAL 58 N 1.69 4.83 0.36 2.04 0.11 0.50 -4.82 120.40 125.11 1yop s VAL 58 Ca 0.05 1.96 0.04 0.00 -2.93 0.00 0.00 61.98 61.11 1yop s VAL 58 Cb -0.18 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.36 1yop s VAL 58 CO 0.10 0.20 0.16 0.72 -3.33 0.00 0.00 175.10 172.96 1yop s PHE 59 N 0.79 1.73 0.05 1.54 -0.71 -1.26 0.20 117.98 120.32 1yop s PHE 59 Ca 0.49 -1.37 0.08 0.00 -1.04 0.00 0.00 56.93 55.09 1yop s PHE 59 Cb -0.21 -1.00 -0.03 0.00 -1.21 0.00 0.00 43.02 40.58 1yop s PHE 59 CO 0.27 -0.46 -0.24 0.34 -1.34 0.00 0.00 175.22 173.80 1yop s ASP 60 N -3.49 2.82 0.07 1.98 2.15 -1.26 -4.98 116.67 113.95 1yop s ASP 60 Ca 0.31 -0.56 -0.14 0.00 0.43 0.00 0.00 52.55 52.58 1yop s ASP 60 Cb 0.03 -0.24 -0.26 0.00 -0.30 0.00 0.00 42.92 42.15 1yop s ASP 60 CO 0.18 0.20 1.15 0.11 -0.17 0.00 0.00 175.17 176.64 1yop h LYS 61 N 4.78 0.68 -0.81 4.34 1.57 -2.01 -3.26 116.57 121.86 1yop h LYS 61 Ca -0.45 -0.80 0.04 0.00 -1.87 0.00 0.00 60.65 57.58 1yop h LYS 61 Cb 1.15 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.66 1yop h LYS 61 CO 0.43 1.36 0.53 1.49 -0.57 0.00 0.00 179.45 182.69 1yop h GLU 62 N 0.35 0.94 -0.69 3.15 4.81 -2.01 -2.04 114.58 119.08 1yop h GLU 62 Ca -0.16 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1yop h GLU 62 Cb 1.79 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.90 1yop h GLU 62 CO 0.22 0.62 0.38 -0.44 -0.73 0.00 0.00 179.01 179.06 1yop h ASP 63 N 0.97 0.54 -0.10 1.04 3.32 -1.99 -2.29 116.42 117.90 1yop h ASP 63 Ca 0.33 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.46 1yop h ASP 63 Cb 0.09 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1yop h ASP 63 CO -0.10 0.33 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.45 1yop h LEU 64 N 0.67 -0.72 -1.04 1.55 4.07 -1.45 0.41 115.31 118.81 1yop h LEU 64 Ca 0.32 0.11 0.09 0.00 0.08 0.00 0.00 57.88 58.48 1yop h LEU 64 Cb 0.25 0.31 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 1yop h LEU 64 CO -0.21 -0.29 0.63 0.00 -1.08 0.00 0.00 178.44 177.49 1yop h ALA 65 N 0.63 1.48 -0.42 1.53 0.00 -1.47 0.10 119.26 121.12 1yop h ALA 65 Ca 0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1yop h ALA 65 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yop h ALA 65 CO -0.28 0.33 -0.33 1.49 0.00 0.00 0.00 179.25 180.47 1yop h GLU 66 N 1.07 0.95 -0.34 0.00 4.57 -0.73 -2.95 114.58 117.15 1yop h GLU 66 Ca 0.45 -0.46 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 1yop h GLU 66 Cb 0.31 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1yop h GLU 66 CO -0.20 1.12 -0.34 1.88 -1.18 0.00 0.00 179.01 180.29 1yop h TYR 67 N 0.79 0.91 -0.72 0.92 0.05 0.75 0.73 116.97 120.40 1yop h TYR 67 Ca 0.08 -0.25 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 1yop h TYR 67 Cb 0.91 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 1yop h TYR 67 CO 0.06 1.01 0.34 1.88 -1.05 0.00 0.00 178.16 180.40 1yop h TYR 68 N 0.65 1.02 0.15 4.88 -1.99 -0.81 0.41 116.97 121.28 1yop h TYR 68 Ca 0.06 -0.04 -0.30 0.00 2.00 0.00 0.00 58.73 60.46 1yop h TYR 68 Cb 0.89 -0.32 0.01 0.00 2.00 0.00 0.00 36.73 39.31 1yop h TYR 68 CO 0.05 0.75 -1.36 1.05 -0.00 0.00 0.00 178.16 178.64 1yop h GLU 69 N 1.02 0.33 -0.13 4.88 4.11 -1.42 -1.29 114.58 122.08 1yop h GLU 69 Ca 0.25 -0.56 -0.17 0.00 0.07 0.00 0.00 59.36 58.95 1yop h GLU 69 Cb 0.11 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1yop h GLU 69 CO -0.03 1.25 -0.64 0.93 0.07 0.00 0.00 179.01 180.59 1yop h GLU 70 N 0.09 0.48 0.00 1.06 5.08 -0.60 -3.36 114.58 117.33 1yop h GLU 70 Ca -0.19 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1yop h GLU 70 Cb 2.03 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1yop h GLU 70 CO 0.21 0.96 -0.56 0.00 -1.00 0.00 0.00 179.01 178.62 1yop h ALA 71 N 0.95 0.07 -2.76 3.43 0.00 -0.29 -3.50 119.26 117.15 1yop h ALA 71 Ca -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1yop h ALA 71 Cb 1.19 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1yop h ALA 71 CO 0.11 0.42 -0.00 0.41 0.00 0.00 0.00 179.25 180.19 1yop n GLY 72 N 1.60 0.79 3.75 0.00 0.00 -0.48 -5.02 105.19 105.83 1yop n GLY 72 Ca -0.12 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.00 2.10 0.27 -0.61 1.10 -1.26 -5.03 121.20 114.77 1yop s ILE 73 Ca 0.00 0.08 0.05 0.00 -0.51 0.00 0.00 60.65 60.27 1yop s ILE 73 Cb -0.00 -3.04 -0.03 0.00 0.15 0.00 0.00 42.46 39.54 1yop s ILE 73 CO 0.00 0.00 0.41 -1.00 -2.11 0.00 0.00 174.94 172.24 1yop s HIS 74 N -1.30 3.40 0.67 3.50 3.76 -1.26 -5.08 115.29 118.99 1yop s HIS 74 Ca 0.70 0.00 -0.17 0.00 -0.15 0.00 0.00 55.06 55.45 1yop s HIS 74 Cb -0.40 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 1yop s HIS 74 CO 0.48 0.32 0.70 -2.30 -0.85 0.00 0.00 174.74 173.09 1yop n PRO 75 N -1.50 0.49 -2.18 8.40 -0.02 -1.26 -4.92 135.00 134.00 1yop n PRO 75 Ca -0.07 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1yop n PRO 75 Cb 0.57 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1yop n PRO 75 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yop s PRO 76 N -2.75 4.36 -0.34 0.52 0.04 -1.26 -4.28 135.00 131.30 1yop s PRO 76 Ca 0.70 2.10 -0.06 0.00 0.04 0.00 0.00 61.00 63.78 1yop s PRO 76 Cb -0.38 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1yop s PRO 76 CO 0.53 -0.29 0.22 0.39 0.04 0.00 0.00 177.00 177.89 1yop n GLU 77 N 2.67 -2.91 -2.04 4.56 4.71 -1.26 -4.87 120.64 121.49 1yop n GLU 77 Ca 0.07 2.43 -0.43 0.00 -0.01 0.00 0.00 57.16 59.22 1yop n GLU 77 Cb 0.42 -5.27 -0.03 0.00 -1.01 0.00 0.00 31.44 25.56 1yop n GLU 77 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1yop s PRO 78 N -1.92 3.48 -0.30 3.49 0.04 -1.26 -3.95 135.00 134.58 1yop s PRO 78 Ca 0.09 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.52 1yop s PRO 78 Cb -0.03 -4.15 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1yop s PRO 78 CO 0.74 -1.68 0.38 -0.89 0.04 0.00 0.00 177.00 175.58 1yop n ILE 79 N 7.13 -8.88 -3.48 0.56 5.41 -1.26 -4.98 119.36 113.86 1yop n ILE 79 Ca 0.22 0.78 -0.43 0.00 1.00 0.00 0.00 62.75 64.31 1yop n ILE 79 Cb 0.46 -6.42 -0.06 0.00 -0.71 0.00 0.00 39.64 32.92 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 -2.04 3.78 0.33 -1.39 0.00 -1.25 -4.98 121.76 116.21 1yop s ALA 80 Ca 0.16 -3.09 0.00 0.00 0.00 0.00 0.00 51.96 49.03 1yop s ALA 80 Cb -0.04 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1yop s ALA 80 CO 0.57 -2.14 0.00 0.00 0.00 0.00 0.00 175.76 174.20 1yop n ALA 81 N 4.12 -1.45 -2.38 0.00 0.00 -1.26 -5.03 120.51 114.51 1yop n ALA 81 Ca 0.06 0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 1yop n ALA 81 Cb 0.43 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 1yop n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop n ALA 82 N -2.33 -3.50 -0.19 0.00 0.00 -1.26 -5.24 120.51 107.99 1yop n ALA 82 Ca -0.01 1.94 0.00 0.00 0.00 0.00 0.00 53.44 55.37 1yop n ALA 82 Cb 0.29 -3.81 0.00 0.00 0.00 0.00 0.00 19.45 15.92 1yop n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50