#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8r s ASP 15 N 0.00 -0.38 0.21 1.61 -1.08 -1.06 -4.95 116.67 111.02 1y8r s ASP 15 Ca 0.00 0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 52.20 1y8r s ASP 15 Cb 0.00 0.36 -0.03 0.00 -1.46 0.00 0.00 42.92 41.79 1y8r s ASP 15 CO 0.00 -0.51 0.18 -1.59 0.52 0.00 0.00 175.17 173.77 1y8r s LYS 16 N -2.25 1.26 0.00 4.34 -2.85 -1.26 -1.07 119.74 117.91 1y8r s LYS 16 Ca 0.02 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.40 1y8r s LYS 16 Cb -0.01 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1y8r s LYS 16 CO -0.04 -0.43 0.00 1.17 0.10 0.00 0.00 175.35 176.15 1y8r n LYS 17 N -0.29 0.00 -1.65 1.78 3.00 -1.25 -4.94 118.16 114.81 1y8r n LYS 17 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.90 1y8r n LYS 17 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.65 1y8r n LYS 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1y8r s GLU 18 N 1.24 3.56 0.00 1.64 -6.30 -1.26 -4.59 118.70 112.99 1y8r s GLU 18 Ca 0.00 2.26 0.00 0.00 -2.50 0.00 0.00 54.97 54.73 1y8r s GLU 18 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 34.13 29.85 1y8r s GLU 18 CO 0.00 -1.62 0.00 0.41 0.02 0.00 0.00 175.26 174.07 1y8r n GLY 19 N 5.24 0.29 2.98 -1.50 0.00 -1.26 -4.55 105.19 106.40 1y8r n GLY 19 Ca 0.25 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1y8r n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y8r s GLU 20 N -5.22 0.14 0.00 1.61 2.02 -1.26 -3.37 118.70 112.61 1y8r s GLU 20 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1y8r s GLU 20 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1y8r s GLU 20 CO 0.00 -0.08 0.00 0.66 0.02 0.00 0.00 175.26 175.86 1y8r n TYR 21 N 3.48 -0.58 -4.41 1.61 0.53 -0.77 -4.49 117.16 112.53 1y8r n TYR 21 Ca -0.18 0.01 -0.26 0.00 -1.02 0.00 0.00 57.90 56.45 1y8r n TYR 21 Cb 0.56 0.14 -0.11 0.00 -1.03 0.00 0.00 39.34 38.90 1y8r n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1y8r s ILE 22 N -2.00 2.55 0.16 -0.72 1.09 0.25 -4.95 121.20 117.58 1y8r s ILE 22 Ca 0.00 -2.07 0.06 0.00 -1.10 0.00 0.00 60.65 57.54 1y8r s ILE 22 Cb 0.00 -2.26 -0.04 0.00 -1.06 0.00 0.00 42.46 39.10 1y8r s ILE 22 CO 0.00 -0.20 0.09 -0.75 -0.10 0.00 0.00 174.94 173.99 1y8r s LYS 23 N -2.94 2.76 0.06 2.79 2.20 -1.26 0.34 119.74 123.68 1y8r s LYS 23 Ca 0.24 -0.92 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 1y8r s LYS 23 Cb -0.07 -2.57 0.02 0.00 -1.51 0.00 0.00 37.83 33.70 1y8r s LYS 23 CO 0.12 0.48 0.30 -0.51 -0.36 0.00 0.00 175.35 175.38 1y8r s LEU 24 N -3.00 0.91 -0.29 5.43 1.43 0.03 -3.08 118.68 120.10 1y8r s LEU 24 Ca 0.30 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1y8r s LEU 24 Cb -0.10 1.36 0.08 0.00 0.03 0.00 0.00 46.19 47.56 1y8r s LEU 24 CO 0.22 -0.67 0.00 -1.59 0.23 0.00 0.00 176.35 174.54 1y8r s LYS 25 N -2.96 1.51 -0.09 1.70 -2.85 -1.10 0.05 119.74 116.01 1y8r s LYS 25 Ca -0.02 -1.42 -0.19 0.00 -1.00 0.00 0.00 55.97 53.34 1y8r s LYS 25 Cb 0.01 -2.78 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1y8r s LYS 25 CO -0.06 -0.79 0.52 0.08 0.10 0.00 0.00 175.35 175.19 1y8r s VAL 26 N 1.19 5.14 -0.07 1.79 1.01 -1.09 -2.63 120.40 125.73 1y8r s VAL 26 Ca 0.03 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 1y8r s VAL 26 Cb -0.19 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1y8r s VAL 26 CO -0.10 0.33 -0.04 -0.63 0.00 0.00 0.00 175.10 174.67 1y8r s ILE 27 N 0.50 3.99 0.67 2.22 1.01 -1.18 -0.78 121.20 127.63 1y8r s ILE 27 Ca 0.28 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1y8r s ILE 27 Cb -0.16 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.71 1y8r s ILE 27 CO 0.12 0.59 0.96 -0.83 0.00 0.00 0.00 174.94 175.79 1y8r s GLY 28 N -0.87 1.71 0.32 6.18 0.00 0.76 -1.63 107.32 113.79 1y8r s GLY 28 Ca 0.13 -1.00 0.15 0.00 0.00 0.00 0.00 44.72 44.00 1y8r s GLY 28 CO 0.02 -0.62 1.66 -1.61 0.00 0.00 0.00 173.10 172.55 1y8r h GLN 29 N -0.45 0.00 0.00 2.90 4.15 -1.87 -1.68 115.11 118.16 1y8r h GLN 29 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1y8r h GLN 29 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1y8r h GLN 29 CO 0.59 0.50 0.00 -0.40 -1.93 0.00 0.00 178.83 177.59 1y8r n ASP 30 N -3.64 0.00 0.00 -0.69 5.68 -1.26 -4.81 116.55 111.84 1y8r n ASP 30 Ca -0.01 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1y8r n ASP 30 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1y8r n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1y8r n SER 31 N -0.87 -2.49 -3.98 -1.12 2.88 -0.63 -5.06 113.62 102.35 1y8r n SER 31 Ca 0.16 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.40 1y8r n SER 31 Cb 0.07 -0.43 0.21 0.00 -0.75 0.00 0.00 64.21 63.31 1y8r n SER 31 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1y8r s SER 32 N -2.87 1.87 -0.09 -3.46 0.15 -1.23 -4.69 113.70 103.37 1y8r s SER 32 Ca 0.00 0.51 -0.28 0.00 0.70 0.00 0.00 55.95 56.87 1y8r s SER 32 Cb 0.00 -0.68 0.07 0.00 -1.71 0.00 0.00 66.02 63.69 1y8r s SER 32 CO 0.00 -3.53 0.65 -0.70 1.20 0.00 0.00 173.24 170.87 1y8r s GLU 33 N -5.59 0.97 -0.26 5.44 2.12 -1.26 -0.17 118.70 119.96 1y8r s GLU 33 Ca 0.72 0.38 -0.03 0.00 0.36 0.00 0.00 54.97 56.40 1y8r s GLU 33 Cb -0.08 0.46 0.15 0.00 0.26 0.00 0.00 34.13 34.92 1y8r s GLU 33 CO 0.55 -0.27 0.44 0.42 -0.54 0.00 0.00 175.26 175.86 1y8r s ILE 34 N -0.85 -0.71 0.05 -3.70 1.01 0.04 -4.98 121.20 112.06 1y8r s ILE 34 Ca -0.09 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 1y8r s ILE 34 Cb -0.01 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1y8r s ILE 34 CO 0.08 -0.08 1.16 -1.00 0.00 0.00 0.00 174.94 175.10 1y8r s HIS 35 N 2.64 3.48 0.53 3.97 3.76 -1.26 -2.67 115.29 125.73 1y8r s HIS 35 Ca 0.14 1.37 0.02 0.00 -0.15 0.00 0.00 55.06 56.43 1y8r s HIS 35 Cb -0.15 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.17 1y8r s HIS 35 CO -0.17 -1.06 0.09 -0.06 -0.85 0.00 0.00 174.74 172.69 1y8r s PHE 36 N 1.05 1.76 -0.29 1.40 0.08 0.11 -2.55 117.98 119.53 1y8r s PHE 36 Ca 0.58 -0.95 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1y8r s PHE 36 Cb -0.28 -1.67 0.16 0.00 -0.57 0.00 0.00 43.02 40.67 1y8r s PHE 36 CO 0.29 0.06 0.58 0.15 -0.10 0.00 0.00 175.22 176.20 1y8r s LYS 37 N -3.98 0.54 0.37 0.44 1.02 -0.24 -0.79 119.74 117.10 1y8r s LYS 37 Ca 0.10 1.08 0.05 0.00 0.02 0.00 0.00 55.97 57.22 1y8r s LYS 37 Cb 0.00 0.53 -0.03 0.00 -0.52 0.00 0.00 37.83 37.82 1y8r s LYS 37 CO 0.06 -0.50 0.21 0.14 -0.92 0.00 0.00 175.35 174.34 1y8r s VAL 38 N 2.83 0.27 0.11 3.17 -7.23 0.15 -3.78 120.40 115.92 1y8r s VAL 38 Ca 0.12 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.05 1y8r s VAL 38 Cb -0.14 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 1y8r s VAL 38 CO -0.20 0.00 0.76 -0.75 -0.31 0.00 0.00 175.10 174.61 1y8r s LYS 39 N -3.58 4.52 0.36 4.82 2.47 -1.22 0.85 119.74 127.95 1y8r s LYS 39 Ca 0.32 1.10 0.09 0.00 -1.56 0.00 0.00 55.97 55.92 1y8r s LYS 39 Cb 0.02 -3.30 0.68 0.00 -1.46 0.00 0.00 37.83 33.77 1y8r s LYS 39 CO 0.21 0.46 1.84 1.98 0.16 0.00 0.00 175.35 180.00 1y8r h MET 40 N 4.87 0.20 0.03 4.03 1.85 -1.93 -3.19 114.93 120.79 1y8r h MET 40 Ca -0.46 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 58.50 1y8r h MET 40 Cb 1.21 -0.02 0.01 0.00 0.43 0.00 0.00 31.60 33.22 1y8r h MET 40 CO 0.68 0.45 -0.29 1.15 -0.40 0.00 0.00 176.91 178.50 1y8r h THR 41 N 0.18 1.60 -3.71 -0.77 2.02 -1.95 0.26 112.91 110.55 1y8r h THR 41 Ca 0.03 -2.15 -0.55 0.00 0.77 0.00 0.00 66.41 64.51 1y8r h THR 41 Cb 0.55 3.00 0.19 0.00 -1.74 0.00 0.00 68.15 70.15 1y8r h THR 41 CO 0.04 0.58 -0.06 0.35 0.37 0.00 0.00 175.52 176.80 1y8r n THR 42 N -4.46 1.80 -0.23 3.16 -2.24 -1.21 -4.73 114.28 106.37 1y8r n THR 42 Ca -0.11 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 1y8r n THR 42 Cb 0.55 -0.96 0.19 0.00 -2.10 0.00 0.00 70.33 68.02 1y8r n THR 42 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1y8r n HIS 43 N -2.93 -3.02 0.15 4.78 8.25 -1.26 -4.04 115.22 117.14 1y8r n HIS 43 Ca 0.11 -0.45 0.05 0.00 -0.26 0.00 0.00 57.72 57.17 1y8r n HIS 43 Cb 0.51 -0.99 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 1y8r n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y8r n LEU 44 N 0.00 0.15 -0.02 2.41 4.77 0.51 -4.51 117.00 120.32 1y8r n LEU 44 Ca 0.09 -0.17 0.23 0.00 -0.03 0.00 0.00 56.01 56.14 1y8r n LEU 44 Cb 0.39 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.20 1y8r n LEU 44 CO 0.26 0.04 1.21 0.50 -1.33 0.00 0.00 177.39 178.07 1y8r h LYS 45 N 0.00 0.00 0.59 3.23 3.64 -1.72 -0.92 116.57 121.39 1y8r h LYS 45 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1y8r h LYS 45 Cb 0.38 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1y8r h LYS 45 CO 0.00 0.00 -0.28 0.87 -2.27 0.00 0.00 179.45 177.77 1y8r h LYS 46 N 0.00 -0.77 -0.44 1.90 1.79 -1.87 -2.35 116.57 114.84 1y8r h LYS 46 Ca 0.29 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1y8r h LYS 46 Cb 1.39 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.19 1y8r h LYS 46 CO -0.00 -0.47 0.28 1.25 -1.08 0.00 0.00 179.45 179.43 1y8r h LEU 47 N -0.93 0.51 -1.17 2.94 6.46 -1.49 0.30 115.31 121.93 1y8r h LEU 47 Ca -0.08 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1y8r h LEU 47 Cb 0.65 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1y8r h LEU 47 CO 0.13 0.38 0.56 0.11 -0.62 0.00 0.00 178.44 179.01 1y8r h LYS 48 N 0.60 1.09 0.07 1.25 1.57 -1.26 0.26 116.57 120.14 1y8r h LYS 48 Ca 0.16 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.63 1y8r h LYS 48 Cb -0.05 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 1y8r h LYS 48 CO -0.03 0.72 -1.11 0.93 -0.57 0.00 0.00 179.45 179.39 1y8r h GLU 49 N 1.12 0.23 0.00 3.15 5.08 -0.50 -3.13 114.58 120.53 1y8r h GLU 49 Ca 0.32 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1y8r h GLU 49 Cb -0.07 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1y8r h GLU 49 CO -0.08 1.13 -0.21 1.03 -1.00 0.00 0.00 179.01 179.88 1y8r h SER 50 N 0.09 0.00 0.00 1.42 0.87 0.52 -1.28 113.55 115.17 1y8r h SER 50 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1y8r h SER 50 Cb 1.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1y8r h SER 50 CO 0.18 0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 1y8r n TYR 51 N -3.97 0.00 -0.02 2.24 9.36 0.81 -3.70 117.16 121.89 1y8r n TYR 51 Ca -0.02 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.43 1y8r n TYR 51 Cb 0.29 -0.29 0.72 0.00 -0.63 0.00 0.00 39.34 39.43 1y8r n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1y8r h GLN 53 N 0.00 1.03 -0.98 0.00 5.75 -1.35 0.96 115.11 120.52 1y8r h GLN 53 Ca 0.29 -0.06 -0.25 0.00 -0.15 0.00 0.00 58.65 58.47 1y8r h GLN 53 Cb 1.39 -0.23 -0.15 0.00 1.07 0.00 0.00 27.48 29.56 1y8r h GLN 53 CO -0.00 0.68 0.32 -2.13 -2.65 0.00 0.00 178.83 175.05 1y8r n ARG 54 N -4.57 1.80 0.00 1.69 3.00 0.55 -3.68 116.66 115.45 1y8r n ARG 54 Ca 0.18 -1.62 0.00 0.00 -0.00 0.00 0.00 57.85 56.40 1y8r n ARG 54 Cb 0.29 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1y8r n ARG 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1y8r n GLN 55 N -0.32 0.29 0.00 -0.14 3.00 0.35 -5.02 117.38 115.54 1y8r n GLN 55 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1y8r n GLN 55 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 30.24 31.32 1y8r n GLN 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1y8r n GLY 56 N 0.00 1.94 3.55 1.08 0.00 0.31 -4.94 105.19 107.13 1y8r n GLY 56 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1y8r n GLY 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y8r n VAL 57 N -0.67 0.89 -1.67 1.61 0.31 -1.23 -4.82 118.33 112.76 1y8r n VAL 57 Ca 0.00 -0.22 -0.46 0.00 -0.01 0.00 0.00 64.34 63.65 1y8r n VAL 57 Cb 0.00 -0.68 -0.04 0.00 -0.91 0.00 0.00 33.84 32.21 1y8r n VAL 57 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1y8r n PRO 58 N 1.66 2.08 -0.29 5.55 -0.02 -1.26 -4.70 135.00 138.02 1y8r n PRO 58 Ca 0.16 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.28 1y8r n PRO 58 Cb 0.23 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.13 1y8r n PRO 58 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1y8r h MET 59 N 5.49 -0.09 -5.19 -0.52 1.85 -1.94 -3.25 114.93 111.28 1y8r h MET 59 Ca -0.45 0.01 -0.68 0.00 -0.61 0.00 0.00 59.70 57.97 1y8r h MET 59 Cb 1.26 0.02 -0.16 0.00 0.43 0.00 0.00 31.60 33.15 1y8r h MET 59 CO 0.85 -0.06 0.96 0.54 -0.40 0.00 0.00 176.91 178.81 1y8r s ASN 60 N -5.01 6.63 0.00 1.39 2.20 -1.26 -3.58 114.94 115.30 1y8r s ASN 60 Ca -0.11 -1.99 0.00 0.00 -0.94 0.00 0.00 52.86 49.82 1y8r s ASN 60 Cb 0.09 -2.43 0.00 0.00 -2.00 0.00 0.00 41.25 36.91 1y8r s ASN 60 CO 0.53 -1.12 0.00 -1.54 -2.94 0.00 0.00 177.10 172.03 1y8r n SER 61 N 6.89 0.00 -4.49 3.54 3.41 -1.22 -5.11 113.62 116.64 1y8r n SER 61 Ca 0.26 -0.22 -0.24 0.00 -0.26 0.00 0.00 58.87 58.41 1y8r n SER 61 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1y8r n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y8r s LEU 62 N 0.00 2.63 -0.17 1.04 1.43 -1.24 -1.22 118.68 121.16 1y8r s LEU 62 Ca 0.00 -1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 51.99 1y8r s LEU 62 Cb 0.00 -1.03 0.05 0.00 0.03 0.00 0.00 46.19 45.24 1y8r s LEU 62 CO 0.00 -0.07 0.00 -0.60 0.23 0.00 0.00 176.35 175.91 1y8r s ARG 63 N -3.56 0.93 -0.38 1.70 3.52 0.17 -4.94 118.95 116.40 1y8r s ARG 63 Ca 0.30 -0.42 -0.19 0.00 -0.13 0.00 0.00 55.73 55.29 1y8r s ARG 63 Cb -0.02 -1.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1y8r s ARG 63 CO 0.15 -0.53 0.58 -0.06 -0.81 0.00 0.00 175.30 174.62 1y8r s PHE 64 N 1.78 3.14 -0.07 5.12 0.40 -1.26 -1.90 117.98 125.19 1y8r s PHE 64 Ca -0.00 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 1y8r s PHE 64 Cb -0.16 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.25 1y8r s PHE 64 CO -0.07 -0.66 -0.11 -0.51 0.70 0.00 0.00 175.22 174.56 1y8r s LEU 65 N 2.58 2.88 -0.43 -0.37 1.02 -0.31 -1.09 118.68 122.95 1y8r s LEU 65 Ca 0.21 -0.17 -0.09 0.00 0.02 0.00 0.00 54.13 54.11 1y8r s LEU 65 Cb -0.15 -1.61 0.09 0.00 0.02 0.00 0.00 46.19 44.54 1y8r s LEU 65 CO 0.15 0.31 0.27 0.12 0.02 0.00 0.00 176.35 177.22 1y8r s PHE 66 N -0.50 3.38 -0.52 0.29 5.36 0.44 -1.27 117.98 125.16 1y8r s PHE 66 Ca 0.07 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.34 1y8r s PHE 66 Cb -0.12 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1y8r s PHE 66 CO 0.02 -0.90 0.00 -1.91 -1.46 0.00 0.00 175.22 170.97 1y8r n GLU 67 N 4.88 -1.73 0.00 10.12 2.13 -1.25 -1.20 120.64 133.59 1y8r n GLU 67 Ca -0.09 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1y8r n GLU 67 Cb 0.42 -4.41 0.00 0.00 0.27 0.00 0.00 31.44 27.73 1y8r n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y8r n GLY 68 N 0.30 2.81 3.74 8.31 0.00 -1.26 -5.12 105.19 113.96 1y8r n GLY 68 Ca -0.05 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1y8r n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y8r s GLN 69 N 0.00 4.50 1.01 1.61 2.00 -0.34 -5.01 119.66 123.43 1y8r s GLN 69 Ca 0.00 1.08 -0.12 0.00 -2.00 0.00 0.00 55.36 54.31 1y8r s GLN 69 Cb 0.00 -3.37 0.19 0.00 0.80 0.00 0.00 33.01 30.63 1y8r s GLN 69 CO 0.00 0.26 1.08 0.50 -0.50 0.00 0.00 175.29 176.63 1y8r s ARG 70 N 0.02 0.36 -0.02 1.67 3.52 -1.26 0.17 118.95 123.40 1y8r s ARG 70 Ca 0.39 0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 56.62 1y8r s ARG 70 Cb -0.20 -1.72 0.02 0.00 -1.56 0.00 0.00 34.95 31.49 1y8r s ARG 70 CO 0.23 -2.81 0.05 0.42 -0.81 0.00 0.00 175.30 172.38 1y8r s ILE 71 N -2.87 -0.03 0.26 4.11 1.01 -0.25 -4.69 121.20 118.73 1y8r s ILE 71 Ca 0.65 0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.51 1y8r s ILE 71 Cb -0.20 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1y8r s ILE 71 CO 0.59 0.05 0.04 0.00 0.00 0.00 0.00 174.94 175.62 1y8r s ALA 72 N 0.64 3.27 0.42 9.38 0.00 -1.26 -4.59 121.76 129.62 1y8r s ALA 72 Ca -0.05 -1.59 0.18 0.00 0.00 0.00 0.00 51.96 50.50 1y8r s ALA 72 Cb -0.07 -0.91 1.10 0.00 0.00 0.00 0.00 23.12 23.24 1y8r s ALA 72 CO -0.02 0.27 1.84 -0.44 0.00 0.00 0.00 175.76 177.40 1y8r h ASP 73 N 1.80 0.40 1.01 0.00 5.19 -1.96 0.43 116.42 123.29 1y8r h ASP 73 Ca -0.45 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1y8r h ASP 73 Cb 1.25 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1y8r h ASP 73 CO 0.60 0.14 0.00 0.59 -3.12 0.00 0.00 179.24 177.46 1y8r n ASN 74 N -4.52 0.32 -4.72 6.45 3.02 -1.26 -2.70 115.26 111.86 1y8r n ASN 74 Ca 0.21 0.54 -0.34 0.00 -0.03 0.00 0.00 54.58 54.96 1y8r n ASN 74 Cb 0.75 -0.63 0.11 0.00 -0.61 0.00 0.00 39.78 39.40 1y8r n ASN 74 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1y8r s HIS 75 N -3.07 1.99 -0.00 3.10 3.76 0.15 -4.81 115.29 116.40 1y8r s HIS 75 Ca 0.10 1.63 -0.00 0.00 -0.15 0.00 0.00 55.06 56.64 1y8r s HIS 75 Cb 0.14 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.39 1y8r s HIS 75 CO 0.48 -2.63 0.00 0.95 -0.85 0.00 0.00 174.74 172.70 1y8r s THR 76 N -2.12 -0.01 0.28 1.30 -4.23 -1.26 -0.36 115.64 109.24 1y8r s THR 76 Ca 0.73 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1y8r s THR 76 Cb -0.28 -0.02 0.27 0.00 1.34 0.00 0.00 72.50 73.81 1y8r s THR 76 CO 0.48 0.01 1.74 -0.65 -0.54 0.00 0.00 174.62 175.66 1y8r h PRO 77 N 6.30 0.57 0.18 3.99 0.11 -1.69 -0.16 132.00 141.30 1y8r h PRO 77 Ca -0.27 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.53 1y8r h PRO 77 Cb 1.20 -0.13 0.03 0.00 0.11 0.00 0.00 31.00 32.21 1y8r h PRO 77 CO 0.51 0.37 -1.20 -0.22 -0.21 0.00 0.00 178.00 177.25 1y8r h LYS 78 N 0.58 0.49 -0.56 1.05 3.64 -0.78 -0.61 116.57 120.38 1y8r h LYS 78 Ca 0.51 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1y8r h LYS 78 Cb 0.82 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1y8r h LYS 78 CO -0.41 1.36 0.00 0.39 -2.27 0.00 0.00 179.45 178.52 1y8r n GLU 79 N -3.88 0.93 0.00 1.90 -0.58 -0.74 -2.37 120.64 115.90 1y8r n GLU 79 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1y8r n GLU 79 Cb 0.98 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.57 1y8r n GLU 79 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1y8r n LEU 80 N -0.18 0.39 -3.69 -4.62 4.77 -0.15 -4.73 117.00 108.80 1y8r n LEU 80 Ca 0.00 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.38 1y8r n LEU 80 Cb 0.14 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1y8r n LEU 80 CO 0.00 0.10 -0.06 0.61 -1.33 0.00 0.00 177.39 176.71 1y8r n GLY 81 N -0.08 -0.29 3.67 -0.72 0.00 -1.00 -4.94 105.19 101.83 1y8r n GLY 81 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1y8r n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1y8r s MET 82 N -5.94 4.23 0.00 1.61 -1.94 -0.25 -5.06 119.30 111.95 1y8r s MET 82 Ca 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1y8r s MET 82 Cb -0.00 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.30 1y8r s MET 82 CO 0.81 -0.10 0.00 0.39 -0.01 0.00 0.00 175.02 176.11 1y8r n GLU 83 N 4.58 0.00 -4.06 2.03 4.71 -1.26 -4.84 120.64 121.80 1y8r n GLU 83 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 56.97 1y8r n GLU 83 Cb 0.51 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 30.81 1y8r n GLU 83 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1y8r s GLU 84 N 0.00 0.44 -0.59 3.49 2.56 -1.26 -4.84 118.70 118.50 1y8r s GLU 84 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.42 1y8r s GLU 84 Cb 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 34.13 35.88 1y8r s GLU 84 CO 0.00 0.05 0.00 0.39 -0.56 0.00 0.00 175.26 175.14 1y8r n GLU 85 N 1.94 -1.73 -2.13 4.30 -0.58 -1.18 -4.96 120.64 116.29 1y8r n GLU 85 Ca -0.20 0.67 -0.32 0.00 -0.42 0.00 0.00 57.16 56.89 1y8r n GLU 85 Cb 0.56 -5.06 -0.00 0.00 -0.57 0.00 0.00 31.44 26.37 1y8r n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1y8r s ASP 86 N -2.22 6.11 -0.10 1.62 1.11 -1.26 -4.65 116.67 117.28 1y8r s ASP 86 Ca 0.00 1.67 -0.09 0.00 0.18 0.00 0.00 52.55 54.31 1y8r s ASP 86 Cb 0.00 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 1y8r s ASP 86 CO 0.00 -0.94 0.21 -0.69 1.18 0.00 0.00 175.17 174.93 1y8r s VAL 87 N -2.62 5.38 -0.43 -1.27 1.01 -1.26 -2.70 120.40 118.51 1y8r s VAL 87 Ca 0.61 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 1y8r s VAL 87 Cb -0.13 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.87 1y8r s VAL 87 CO 0.37 0.59 0.21 -0.63 0.00 0.00 0.00 175.10 175.64 1y8r s ILE 88 N -0.86 3.17 0.25 2.22 1.01 -1.08 -3.90 121.20 122.01 1y8r s ILE 88 Ca 0.17 -2.23 -0.30 0.00 0.00 0.00 0.00 60.65 58.28 1y8r s ILE 88 Cb -0.13 -3.18 -0.11 0.00 0.01 0.00 0.00 42.46 39.05 1y8r s ILE 88 CO 0.06 -0.70 1.53 -1.61 0.00 0.00 0.00 174.94 174.21 1y8r s GLU 89 N 0.94 4.20 -0.09 2.79 2.02 -0.40 -3.13 118.70 125.03 1y8r s GLU 89 Ca 0.10 2.42 0.02 0.00 0.02 0.00 0.00 54.97 57.52 1y8r s GLU 89 Cb -0.22 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1y8r s GLU 89 CO -0.05 -0.54 -0.14 0.08 0.02 0.00 0.00 175.26 174.63 1y8r s VAL 90 N 0.25 2.99 -0.05 2.63 1.01 -0.65 -1.17 120.40 125.41 1y8r s VAL 90 Ca 0.63 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1y8r s VAL 90 Cb -0.44 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1y8r s VAL 90 CO 0.42 0.56 -0.15 -0.31 0.00 0.00 0.00 175.10 175.62 1y8r s TYR 91 N -0.13 1.60 -0.09 5.22 1.51 -0.80 -3.28 117.35 121.38 1y8r s TYR 91 Ca -0.01 -0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 55.49 1y8r s TYR 91 Cb -0.14 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1y8r s TYR 91 CO 0.03 -0.22 0.06 -1.14 -1.11 0.00 0.00 175.55 173.18 1y8r s GLN 92 N 0.31 3.15 -0.22 -0.62 0.74 -1.26 0.46 119.66 122.21 1y8r s GLN 92 Ca -0.09 -0.32 -0.21 0.00 0.05 0.00 0.00 55.36 54.79 1y8r s GLN 92 Cb -0.13 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 1y8r s GLN 92 CO 0.03 0.72 0.67 -2.00 -0.55 0.00 0.00 175.29 174.16 1y8r s GLU 93 N -1.06 4.18 -0.06 1.67 2.12 -0.36 -5.00 118.70 120.19 1y8r s GLU 93 Ca 0.15 0.66 -0.18 0.00 0.36 0.00 0.00 54.97 55.96 1y8r s GLU 93 Cb -0.12 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 1y8r s GLU 93 CO 0.05 -0.34 0.51 -0.65 -0.54 0.00 0.00 175.26 174.28 1y8r s GLN 94 N 2.26 4.27 -0.00 4.30 -1.52 -1.26 -4.96 119.66 122.75 1y8r s GLN 94 Ca 0.29 0.54 0.14 0.00 -1.95 0.00 0.00 55.36 54.38 1y8r s GLN 94 Cb -0.16 -3.38 0.41 0.00 -0.22 0.00 0.00 33.01 29.66 1y8r s GLN 94 CO 0.09 0.30 1.34 0.25 -0.25 0.00 0.00 175.29 177.02 1y8r n THR 95 N 3.11 1.01 -1.01 -0.19 -2.24 -1.26 -5.01 114.28 108.69 1y8r n THR 95 Ca -0.08 -1.01 -0.31 0.00 -2.27 0.00 0.00 64.05 60.39 1y8r n THR 95 Cb 0.52 0.49 0.13 0.00 -2.10 0.00 0.00 70.33 69.37 1y8r n THR 95 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1y8r s GLY 96 N -1.01 1.67 0.00 3.38 0.00 -1.26 -5.39 107.32 104.72 1y8r s GLY 96 Ca 0.31 0.37 0.20 0.00 0.00 0.00 0.00 44.72 45.60 1y8r s GLY 96 CO 0.21 0.76 1.60 0.61 0.00 0.00 0.00 173.10 176.27