#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yop n VAL 2 N 0.00 0.76 -3.88 1.12 0.24 -1.26 -4.98 118.33 110.34 1yop n VAL 2 Ca 0.00 -0.32 -0.26 0.00 -2.04 0.00 0.00 64.34 61.72 1yop n VAL 2 Cb 0.00 -0.93 -0.17 0.00 -1.47 0.00 0.00 33.84 31.27 1yop n VAL 2 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1yop s SER 3 N -5.14 2.19 -0.06 -1.34 0.01 -1.26 -5.13 113.70 102.96 1yop s SER 3 Ca -0.16 -0.33 -0.10 0.00 1.31 0.00 0.00 55.95 56.67 1yop s SER 3 Cb 0.04 -0.77 0.02 0.00 0.21 0.00 0.00 66.02 65.52 1yop s SER 3 CO 0.33 -0.15 0.26 0.42 0.41 0.00 0.00 173.24 174.51 1yop s THR 4 N 1.75 0.03 -0.13 1.44 -4.23 -1.26 -4.73 115.64 108.50 1yop s THR 4 Ca 0.04 -0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1yop s THR 4 Cb -0.13 -0.44 -0.09 0.00 1.34 0.00 0.00 72.50 73.17 1yop s THR 4 CO -0.08 -0.12 -0.10 -1.22 -0.54 0.00 0.00 174.62 172.57 1yop n TYR 5 N 2.31 0.00 -3.86 3.99 4.02 -1.10 -5.06 117.16 117.45 1yop n TYR 5 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.64 1yop n TYR 5 Cb 0.57 -0.52 -0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 -5.15 -0.04 -0.07 7.72 -1.08 -1.26 -5.12 116.67 111.67 1yop s ASP 6 Ca -0.16 -0.96 0.01 0.00 -0.52 0.00 0.00 52.55 50.93 1yop s ASP 6 Cb 0.04 0.77 0.02 0.00 -1.46 0.00 0.00 42.92 42.30 1yop s ASP 6 CO 0.33 -1.50 -0.09 -1.61 0.52 0.00 0.00 175.17 172.82 1yop s GLU 7 N -3.09 1.42 0.18 4.34 2.02 -1.26 -2.54 118.70 119.78 1yop s GLU 7 Ca 0.15 -0.29 0.07 0.00 0.02 0.00 0.00 54.97 54.92 1yop s GLU 7 Cb -0.05 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 1yop s GLU 7 CO 0.10 -0.07 0.03 0.42 0.02 0.00 0.00 175.26 175.76 1yop s ILE 8 N 0.98 3.87 0.05 -1.63 1.09 -1.15 -4.98 121.20 119.43 1yop s ILE 8 Ca -0.09 -1.41 0.05 0.00 -1.10 0.00 0.00 60.65 58.10 1yop s ILE 8 Cb -0.15 -2.97 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 1yop s ILE 8 CO 0.00 -0.15 -0.07 -1.61 -0.10 0.00 0.00 174.94 173.01 1yop s GLU 9 N -3.08 2.39 0.36 2.79 8.01 -1.26 0.24 118.70 128.15 1yop s GLU 9 Ca 0.29 -0.85 0.05 0.00 0.01 0.00 0.00 54.97 54.47 1yop s GLU 9 Cb -0.09 -2.43 0.69 0.00 -4.31 0.00 0.00 34.13 27.99 1yop s GLU 9 CO 0.20 0.56 1.94 0.97 0.01 0.00 0.00 175.26 178.94 1yop h ILE 10 N 3.48 1.17 -0.18 -1.63 2.10 -1.66 -2.22 117.51 118.56 1yop h ILE 10 Ca -0.48 -0.59 -0.05 0.00 1.08 0.00 0.00 64.86 64.82 1yop h ILE 10 Cb 1.17 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1yop h ILE 10 CO 0.54 0.21 -0.10 1.05 -1.08 0.00 0.00 178.15 178.77 1yop h GLU 11 N 0.52 0.28 -1.13 2.19 4.11 -1.96 -2.57 114.58 116.03 1yop h GLU 11 Ca 0.12 -0.06 -0.54 0.00 0.07 0.00 0.00 59.36 58.96 1yop h GLU 11 Cb 0.20 -0.04 -0.25 0.00 0.50 0.00 0.00 28.75 29.16 1yop h GLU 11 CO -0.00 0.39 0.69 -0.25 0.07 0.00 0.00 179.01 179.91 1yop n ASP 12 N -4.28 6.45 -4.18 3.06 8.00 -0.84 -4.92 116.55 119.84 1yop n ASP 12 Ca -0.00 -3.51 -0.17 0.00 0.71 0.00 0.00 54.79 51.82 1yop n ASP 12 Cb 0.26 -0.95 -0.11 0.00 -0.02 0.00 0.00 41.12 40.29 1yop n ASP 12 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1yop s MET 13 N -3.09 0.84 0.71 -1.24 1.75 -0.97 -4.83 119.30 112.48 1yop s MET 13 Ca 0.53 -1.06 -0.11 0.00 -1.25 0.00 0.00 55.69 53.80 1yop s MET 13 Cb 0.42 -0.70 0.03 0.00 2.84 0.00 0.00 34.83 37.42 1yop s MET 13 CO 0.02 0.14 1.09 0.99 -0.65 0.00 0.00 175.02 176.60 1yop s THR 14 N -1.82 3.11 -0.03 10.11 2.01 -0.63 -4.93 115.64 123.45 1yop s THR 14 Ca 0.02 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.37 1yop s THR 14 Cb -0.07 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 1yop s THR 14 CO 0.02 -0.44 -0.25 -0.36 -0.69 0.00 0.00 174.62 172.90 1yop s PHE 15 N -3.36 2.37 -0.71 4.92 0.08 -1.26 -2.27 117.98 117.76 1yop s PHE 15 Ca 0.59 -0.53 -0.07 0.00 0.12 0.00 0.00 56.93 57.03 1yop s PHE 15 Cb -0.11 -1.54 0.18 0.00 -0.57 0.00 0.00 43.02 40.99 1yop s PHE 15 CO 0.50 -0.10 0.57 -2.00 -0.10 0.00 0.00 175.22 174.09 1yop s GLU 16 N -0.46 2.96 -1.02 0.44 2.56 0.14 -4.88 118.70 118.45 1yop s GLU 16 Ca 0.05 -2.53 -0.12 0.00 0.00 0.00 0.00 54.97 52.37 1yop s GLU 16 Cb -0.11 -3.99 -0.08 0.00 2.00 0.00 0.00 34.13 31.95 1yop s GLU 16 CO 0.01 -1.22 2.17 -0.35 -0.56 0.00 0.00 175.26 175.30 1yop n PRO 17 N 3.63 2.18 0.00 4.30 -0.04 -1.26 -3.43 135.00 140.38 1yop n PRO 17 Ca 0.10 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1yop n PRO 17 Cb 0.41 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 5.26 0.00 -1.42 0.54 0.28 -1.26 -4.95 120.64 119.09 1yop n GLU 18 Ca 0.51 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.55 1yop n GLU 18 Cb 0.26 -0.16 0.02 0.00 1.43 0.00 0.00 31.44 33.00 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 -2.15 0.97 -3.22 -1.84 4.13 -1.24 -4.92 115.26 107.00 1yop n ASN 19 Ca 0.00 -2.06 -0.07 0.00 1.68 0.00 0.00 54.58 54.13 1yop n ASN 19 Cb 0.00 -0.30 0.01 0.00 -1.54 0.00 0.00 39.78 37.95 1yop n ASN 19 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yop n GLN 20 N 0.42 -1.43 -3.81 3.52 6.02 -1.24 -4.91 117.38 115.96 1yop n GLN 20 Ca 0.06 1.28 -0.10 0.00 -0.01 0.00 0.00 57.00 58.23 1yop n GLN 20 Cb 1.11 -5.16 -0.07 0.00 1.02 0.00 0.00 30.24 27.14 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 -3.57 0.85 0.25 -1.09 0.23 -1.22 -2.78 119.30 111.97 1yop s MET 21 Ca 0.06 -0.82 0.08 0.00 -1.03 0.00 0.00 55.69 53.99 1yop s MET 21 Cb -0.01 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 1yop s MET 21 CO 0.78 -0.28 0.07 -0.06 -2.03 0.00 0.00 175.02 173.50 1yop s PHE 22 N -3.50 2.87 0.05 3.16 0.40 0.17 0.28 117.98 121.40 1yop s PHE 22 Ca 0.02 -0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1yop s PHE 22 Cb 0.03 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 1yop s PHE 22 CO -0.09 0.58 -0.10 0.95 0.70 0.00 0.00 175.22 177.26 1yop s THR 23 N -2.19 0.72 -0.29 0.64 -4.23 -0.96 -0.90 115.64 108.42 1yop s THR 23 Ca 0.32 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1yop s THR 23 Cb -0.07 -0.76 0.18 0.00 1.34 0.00 0.00 72.50 73.19 1yop s THR 23 CO 0.22 -0.34 0.49 -0.47 -0.54 0.00 0.00 174.62 173.98 1yop s TYR 24 N -1.36 -1.36 -0.73 3.99 5.04 0.17 -1.60 117.35 121.50 1yop s TYR 24 Ca -0.07 0.79 -0.28 0.00 -2.44 0.00 0.00 57.07 55.07 1yop s TYR 24 Cb -0.10 0.11 -0.14 0.00 0.35 0.00 0.00 41.96 42.17 1yop s TYR 24 CO 0.01 -0.99 2.53 -2.30 -1.34 0.00 0.00 175.55 173.46 1yop n PRO 25 N 5.39 0.55 -1.82 4.97 -0.02 -1.26 -0.59 135.00 142.22 1yop n PRO 25 Ca 0.02 -0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 1yop n PRO 25 Cb 0.51 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.52 0.00 -0.05 0.00 0.11 -1.90 0.14 132.00 133.83 1yop h PRO 27 Ca -0.50 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1yop h PRO 27 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yop h PRO 27 CO 0.68 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.51 1yop n GLY 29 N -1.53 1.00 0.00 0.00 0.00 0.49 -5.03 105.19 100.12 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 1.41 -4.10 1.61 2.03 -1.19 -4.95 116.55 111.35 1yop n ASP 30 Ca 0.00 -0.82 -0.33 0.00 0.52 0.00 0.00 54.79 54.15 1yop n ASP 30 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.37 2.11 -0.31 -0.67 6.06 -1.26 -0.82 118.95 122.70 1yop s ARG 31 Ca 0.00 -1.50 -0.29 0.00 -2.50 0.00 0.00 55.73 51.44 1yop s ARG 31 Cb 0.00 -3.16 -0.00 0.00 0.06 0.00 0.00 34.95 31.84 1yop s ARG 31 CO 0.00 -0.74 1.45 0.12 -2.50 0.00 0.00 175.30 173.63 1yop s PHE 32 N 1.12 2.39 0.09 5.12 2.19 0.24 -4.80 117.98 124.32 1yop s PHE 32 Ca -0.01 0.71 0.02 0.00 0.33 0.00 0.00 56.93 57.98 1yop s PHE 32 Cb -0.20 -4.06 -0.04 0.00 -1.31 0.00 0.00 43.02 37.41 1yop s PHE 32 CO -0.04 -2.20 0.15 -0.65 1.83 0.00 0.00 175.22 174.31 1yop s GLN 33 N 4.62 3.15 -0.22 10.12 -0.21 -1.26 0.44 119.66 136.29 1yop s GLN 33 Ca 0.63 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 1yop s GLN 33 Cb -0.18 -2.86 0.10 0.00 1.00 0.00 0.00 33.01 31.06 1yop s GLN 33 CO 0.28 0.57 0.48 -1.50 -2.12 0.00 0.00 175.29 173.00 1yop s ILE 34 N -1.50 -0.63 0.36 1.08 1.10 -0.08 -4.98 121.20 116.56 1yop s ILE 34 Ca 0.32 0.12 -0.21 0.00 -0.51 0.00 0.00 60.65 60.37 1yop s ILE 34 Cb -0.12 -0.75 -0.10 0.00 0.15 0.00 0.00 42.46 41.64 1yop s ILE 34 CO 0.25 0.05 0.88 -0.31 -2.11 0.00 0.00 174.94 173.69 1yop s TYR 35 N 2.50 3.45 0.25 3.50 1.51 -1.26 0.41 117.35 127.70 1yop s TYR 35 Ca -0.04 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.56 1yop s TYR 35 Cb -0.11 -2.77 0.32 0.00 -0.11 0.00 0.00 41.96 39.29 1yop s TYR 35 CO -0.14 0.06 1.67 -0.07 -1.11 0.00 0.00 175.55 175.96 1yop h LEU 36 N 2.43 0.57 -0.42 -1.29 3.38 -1.87 -2.47 115.31 115.65 1yop h LEU 36 Ca -0.48 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.21 1yop h LEU 36 Cb 1.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1yop h LEU 36 CO 0.63 0.83 -0.00 -2.24 0.09 0.00 0.00 178.44 177.75 1yop h ASP 37 N 0.49 0.73 0.19 -0.43 2.03 -1.94 -1.43 116.42 116.06 1yop h ASP 37 Ca 0.07 -0.31 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 1yop h ASP 37 Cb 0.73 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1yop h ASP 37 CO 0.06 0.86 -0.09 -0.78 -1.03 0.00 0.00 179.24 178.26 1yop h ASP 38 N 0.58 -0.22 0.10 4.15 1.82 -1.94 -2.72 116.42 118.19 1yop h ASP 38 Ca 0.12 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1yop h ASP 38 Cb 0.49 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 1yop h ASP 38 CO 0.02 -0.03 -0.06 0.00 -1.61 0.00 0.00 179.24 177.56 1yop h MET 39 N -0.40 0.00 -0.58 0.28 -0.00 -1.46 -2.13 114.93 110.64 1yop h MET 39 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 59.80 1yop h MET 39 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.87 1yop h MET 39 CO 0.04 0.06 0.40 0.35 -0.00 0.00 0.00 176.91 177.76 1yop h PHE 40 N 0.00 0.28 -0.60 -0.10 3.04 -0.92 -1.50 116.94 117.14 1yop h PHE 40 Ca -0.00 0.01 -0.39 0.00 3.98 0.00 0.00 57.97 61.57 1yop h PHE 40 Cb 0.13 -0.09 -0.16 0.00 2.56 0.00 0.00 35.95 38.39 1yop h PHE 40 CO 0.00 0.12 0.47 0.39 -2.02 0.00 0.00 178.31 177.28 1yop n GLU 41 N -4.45 1.98 -3.15 1.11 1.02 -0.80 -4.84 120.64 111.51 1yop n GLU 41 Ca 0.10 -1.86 -0.08 0.00 -0.02 0.00 0.00 57.16 55.30 1yop n GLU 41 Cb 0.47 -1.75 0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1yop n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yop n GLY 42 N 0.24 -1.20 2.97 0.62 0.00 -0.59 -5.01 105.19 102.23 1yop n GLY 42 Ca 0.36 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.60 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 -3.72 1.43 -0.08 1.61 2.12 -1.04 -4.90 118.70 114.12 1yop s GLU 43 Ca 0.24 -1.85 0.04 0.00 0.36 0.00 0.00 54.97 53.76 1yop s GLU 43 Cb -0.03 -3.06 -0.08 0.00 0.26 0.00 0.00 34.13 31.22 1yop s GLU 43 CO 0.74 -0.96 -0.02 1.63 -0.54 0.00 0.00 175.26 176.11 1yop n LYS 44 N 4.21 1.84 -2.93 4.30 4.01 -1.26 -4.61 118.16 123.73 1yop n LYS 44 Ca 0.03 0.02 -0.44 0.00 -0.51 0.00 0.00 58.31 57.41 1yop n LYS 44 Cb 0.41 -1.19 -0.01 0.00 -0.51 0.00 0.00 35.03 33.74 1yop n LYS 44 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1yop s VAL 45 N -2.18 4.93 0.17 -0.18 -7.23 -1.26 -2.01 120.40 112.65 1yop s VAL 45 Ca -0.07 -2.41 -0.12 0.00 -1.81 0.00 0.00 61.98 57.58 1yop s VAL 45 Cb 0.03 -4.90 -0.07 0.00 0.56 0.00 0.00 36.38 32.00 1yop s VAL 45 CO 0.26 -1.62 0.53 0.00 -0.31 0.00 0.00 175.10 173.96 1yop s ALA 46 N 1.91 3.60 -0.25 1.32 0.00 -1.12 -4.92 121.76 122.30 1yop s ALA 46 Ca 0.41 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 1yop s ALA 46 Cb -0.03 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1yop s ALA 46 CO -0.01 0.49 0.09 0.08 0.00 0.00 0.00 175.76 176.41 1yop s VAL 47 N -1.59 4.53 0.29 0.00 1.01 -1.26 -3.36 120.40 120.01 1yop s VAL 47 Ca 0.41 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1yop s VAL 47 Cb -0.13 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1yop s VAL 47 CO 0.20 0.34 1.54 0.00 0.00 0.00 0.00 175.10 177.17 1yop n PRO 49 N 1.99 1.84 0.09 0.00 -0.04 -1.26 -1.91 135.00 135.71 1yop n PRO 49 Ca 0.07 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1yop n PRO 49 Cb 0.38 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.14 0.45 -0.01 3.54 7.64 -1.26 -4.90 113.62 119.22 1yop n SER 50 Ca 0.06 0.31 0.10 0.00 1.01 0.00 0.00 58.87 60.35 1yop n SER 50 Cb 0.46 0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.03 -4.55 -4.74 0.00 2.88 -0.80 -4.99 113.62 99.40 1yop n SER 52 Ca -0.02 -0.23 -0.40 0.00 -1.33 0.00 0.00 58.87 56.90 1yop n SER 52 Cb 0.48 -3.34 -0.05 0.00 -0.75 0.00 0.00 64.21 60.56 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 -4.57 4.41 -0.18 2.46 2.96 -1.26 -4.70 118.68 117.80 1yop s LEU 53 Ca 0.24 1.35 -0.27 0.00 -0.22 0.00 0.00 54.13 55.23 1yop s LEU 53 Cb -0.11 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.41 1yop s LEU 53 CO 0.30 -0.01 0.94 -0.04 -1.32 0.00 0.00 176.35 176.22 1yop s MET 54 N 0.17 4.30 0.02 1.98 -1.94 -1.26 -3.38 119.30 119.18 1yop s MET 54 Ca 0.38 1.21 0.04 0.00 -1.71 0.00 0.00 55.69 55.60 1yop s MET 54 Cb -0.20 -3.60 -0.02 0.00 2.01 0.00 0.00 34.83 33.03 1yop s MET 54 CO 0.21 -0.45 -0.12 0.96 -0.01 0.00 0.00 175.02 175.62 1yop s ILE 55 N 2.54 0.94 -0.63 2.53 -5.25 -1.21 -2.73 121.20 117.39 1yop s ILE 55 Ca 0.42 -0.75 -0.06 0.00 -0.99 0.00 0.00 60.65 59.28 1yop s ILE 55 Cb -0.16 -0.83 0.16 0.00 2.95 0.00 0.00 42.46 44.58 1yop s ILE 55 CO 0.11 0.09 0.48 -1.81 -1.79 0.00 0.00 174.94 172.01 1yop s ASP 56 N -0.75 5.59 -0.06 4.36 1.11 -1.05 -2.81 116.67 123.06 1yop s ASP 56 Ca 0.02 -2.65 -0.24 0.00 0.18 0.00 0.00 52.55 49.86 1yop s ASP 56 Cb -0.06 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 1yop s ASP 56 CO 0.00 -0.46 0.72 0.54 1.18 0.00 0.00 175.17 177.16 1yop s VAL 57 N 0.23 5.03 0.09 -1.27 0.11 -0.85 -2.94 120.40 120.80 1yop s VAL 57 Ca 0.15 1.49 -0.10 0.00 -2.93 0.00 0.00 61.98 60.60 1yop s VAL 57 Cb -0.19 -4.06 -0.06 0.00 -1.53 0.00 0.00 36.38 30.54 1yop s VAL 57 CO -0.04 0.25 0.41 0.54 -3.33 0.00 0.00 175.10 172.92 1yop s VAL 58 N 0.81 5.09 0.04 2.04 0.11 0.14 -4.63 120.40 123.99 1yop s VAL 58 Ca 0.39 0.43 0.04 0.00 -2.93 0.00 0.00 61.98 59.91 1yop s VAL 58 Cb -0.18 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1yop s VAL 58 CO 0.19 0.26 -0.12 0.72 -3.33 0.00 0.00 175.10 172.82 1yop s PHE 59 N -1.43 1.04 -0.33 1.54 -0.12 -1.26 -1.53 117.98 115.90 1yop s PHE 59 Ca 0.34 -0.38 0.23 0.00 -0.05 0.00 0.00 56.93 57.07 1yop s PHE 59 Cb -0.14 -0.62 0.08 0.00 -0.63 0.00 0.00 43.02 41.72 1yop s PHE 59 CO 0.19 0.01 1.13 0.22 -0.05 0.00 0.00 175.22 176.71 1yop h ASP 60 N 4.84 0.00 -1.29 1.98 1.82 -1.99 -3.48 116.42 118.30 1yop h ASP 60 Ca -0.37 -0.05 -0.24 0.00 -0.39 0.00 0.00 57.03 55.98 1yop h ASP 60 Cb 1.19 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.15 1yop h ASP 60 CO 0.43 0.03 -0.28 1.17 -1.61 0.00 0.00 179.24 178.98 1yop n LYS 61 N -2.58 -0.92 -0.07 0.28 4.81 -1.26 -4.92 118.16 113.50 1yop n LYS 61 Ca 0.01 0.71 -0.07 0.00 -0.87 0.00 0.00 58.31 58.10 1yop n LYS 61 Cb 0.53 -4.83 -0.02 0.00 0.02 0.00 0.00 35.03 30.73 1yop n LYS 61 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1yop n GLU 62 N -2.35 0.39 0.28 1.64 2.13 -1.26 -4.51 120.64 116.97 1yop n GLU 62 Ca -0.13 0.17 0.14 0.00 0.66 0.00 0.00 57.16 57.99 1yop n GLU 62 Cb 0.53 -1.20 0.83 0.00 0.27 0.00 0.00 31.44 31.86 1yop n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1yop h ASP 63 N -0.75 0.00 -0.94 4.31 5.19 -1.97 -2.34 116.42 119.91 1yop h ASP 63 Ca 0.00 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.56 1yop h ASP 63 Cb 0.74 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.17 1yop h ASP 63 CO 0.00 0.05 0.60 0.25 -3.12 0.00 0.00 179.24 177.02 1yop h LEU 64 N 0.00 0.74 0.08 1.55 6.46 -1.97 0.69 115.31 122.86 1yop h LEU 64 Ca -0.00 0.05 -0.35 0.00 -0.12 0.00 0.00 57.88 57.46 1yop h LEU 64 Cb 0.14 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1yop h LEU 64 CO 0.01 0.36 -2.01 0.00 -0.62 0.00 0.00 178.44 176.18 1yop n ALA 65 N -2.40 1.09 -0.15 1.25 0.00 -0.92 -4.07 120.51 115.30 1yop n ALA 65 Ca 0.19 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 1yop n ALA 65 Cb 0.46 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1yop n ALA 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1yop h GLU 66 N 0.05 0.79 -0.28 0.00 4.81 -1.08 -2.85 114.58 116.02 1yop h GLU 66 Ca -0.42 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 58.62 1yop h GLU 66 Cb 2.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 1yop h GLU 66 CO 0.07 0.85 0.19 -0.92 -0.73 0.00 0.00 179.01 178.47 1yop h TYR 67 N 0.63 0.10 -0.60 0.92 5.03 0.19 -1.06 116.97 122.18 1yop h TYR 67 Ca 0.13 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.48 1yop h TYR 67 Cb 0.50 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 1yop h TYR 67 CO 0.04 0.06 0.40 1.88 -1.32 0.00 0.00 178.16 179.21 1yop h TYR 68 N 0.10 0.65 0.05 -3.82 -1.99 -1.65 0.15 116.97 110.47 1yop h TYR 68 Ca 0.13 0.02 -0.25 0.00 2.00 0.00 0.00 58.73 60.62 1yop h TYR 68 Cb 0.37 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1yop h TYR 68 CO -0.00 0.37 -1.22 0.93 -0.00 0.00 0.00 178.16 178.24 1yop h GLU 69 N 0.67 0.10 0.08 4.88 5.08 -1.31 -3.35 114.58 120.73 1yop h GLU 69 Ca 0.25 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yop h GLU 69 Cb 0.14 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1yop h GLU 69 CO -0.07 1.01 -0.04 0.93 -1.00 0.00 0.00 179.01 179.84 1yop h GLU 70 N 0.03 -0.11 -7.18 2.33 5.08 -0.87 -3.45 114.58 110.41 1yop h GLU 70 Ca -0.11 0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.76 1yop h GLU 70 Cb 1.88 0.02 0.08 0.00 0.50 0.00 0.00 28.75 31.24 1yop h GLU 70 CO 0.15 0.33 0.38 0.00 -1.00 0.00 0.00 179.01 178.87 1yop s ALA 71 N -4.33 2.61 -0.50 3.43 0.00 0.43 -4.97 121.76 118.43 1yop s ALA 71 Ca -0.15 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1yop s ALA 71 Cb 0.02 -3.29 0.54 0.00 0.00 0.00 0.00 23.12 20.39 1yop s ALA 71 CO 0.62 -1.01 1.84 0.41 0.00 0.00 0.00 175.76 177.62 1yop n GLY 72 N -0.57 5.25 3.84 0.00 0.00 -1.26 -4.88 105.19 107.57 1yop n GLY 72 Ca 0.10 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.99 4.39 -0.70 -0.61 2.07 -1.26 -5.02 121.20 116.08 1yop s ILE 73 Ca 0.58 0.99 -0.13 0.00 -1.41 0.00 0.00 60.65 60.68 1yop s ILE 73 Cb 0.48 -3.66 0.18 0.00 0.13 0.00 0.00 42.46 39.58 1yop s ILE 73 CO 0.04 -0.81 0.63 -2.28 -1.91 0.00 0.00 174.94 170.61 1yop s HIS 74 N -2.80 3.56 0.80 3.50 5.65 -1.26 -5.07 115.29 119.67 1yop s HIS 74 Ca 0.59 -1.85 -0.10 0.00 0.25 0.00 0.00 55.06 53.94 1yop s HIS 74 Cb -0.12 -3.73 0.07 0.00 -1.18 0.00 0.00 32.58 27.62 1yop s HIS 74 CO 0.42 -0.99 1.10 -1.25 -0.65 0.00 0.00 174.74 173.37 1yop s PRO 75 N 0.64 2.03 0.97 2.88 0.04 -1.26 -5.03 135.00 135.27 1yop s PRO 75 Ca 0.13 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1yop s PRO 75 Cb -0.18 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.66 1yop s PRO 75 CO -0.04 -1.82 1.10 -1.25 0.04 0.00 0.00 177.00 175.02 1yop s PRO 76 N -4.87 0.66 0.35 0.56 0.04 -1.26 -4.90 135.00 125.59 1yop s PRO 76 Ca 0.62 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1yop s PRO 76 Cb -0.18 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1yop s PRO 76 CO 0.56 -2.58 0.00 0.39 0.04 0.00 0.00 177.00 175.41 1yop n GLU 77 N -4.08 -2.43 -1.61 4.56 1.02 -1.26 -4.94 120.64 111.89 1yop n GLU 77 Ca 0.06 1.88 -0.32 0.00 -0.02 0.00 0.00 57.16 58.76 1yop n GLU 77 Cb 0.57 -2.35 0.05 0.00 -0.02 0.00 0.00 31.44 29.69 1yop n GLU 77 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1yop s PRO 78 N -4.83 2.76 -0.31 3.49 0.04 -1.26 -5.04 135.00 129.84 1yop s PRO 78 Ca 0.00 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 1yop s PRO 78 Cb 0.00 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1yop s PRO 78 CO 0.00 -1.26 0.03 0.42 0.04 0.00 0.00 177.00 176.23 1yop s ILE 79 N -2.70 3.16 -0.20 0.56 1.01 -1.26 -5.09 121.20 116.68 1yop s ILE 79 Ca 0.62 -1.35 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 1yop s ILE 79 Cb -0.17 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1yop s ILE 79 CO 0.48 -0.14 0.27 0.00 0.00 0.00 0.00 174.94 175.55 1yop s ALA 80 N 1.28 3.60 -0.38 9.38 0.00 -1.26 -5.06 121.76 129.31 1yop s ALA 80 Ca -0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1yop s ALA 80 Cb -0.20 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1yop s ALA 80 CO -0.00 -0.12 0.22 0.00 0.00 0.00 0.00 175.76 175.86 1yop s ALA 81 N 0.92 3.29 -0.05 0.00 0.00 -1.26 -5.06 121.76 119.60 1yop s ALA 81 Ca 0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.28 1yop s ALA 81 Cb -0.13 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1yop s ALA 81 CO 0.05 -1.44 0.12 0.00 0.00 0.00 0.00 175.76 174.49 1yop s ALA 82 N 1.54 -0.22 0.00 0.00 0.00 -1.26 -5.38 121.76 116.44 1yop s ALA 82 Ca 0.02 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1yop s ALA 82 Cb -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1yop s ALA 82 CO 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.70