#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cay n HIS 0 N 0.00 0.00 1.49 1.57 1.44 -1.26 -3.25 115.22 115.21 2cay n HIS 0 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 2cay n HIS 0 Cb 0.00 -0.48 0.67 0.00 0.12 0.00 0.00 29.99 30.30 2cay n HIS 0 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2cay n MET 1 N -1.48 0.76 0.06 -1.40 2.81 -1.26 -1.90 117.12 114.72 2cay n MET 1 Ca 0.04 -0.23 -0.04 0.00 -1.81 0.00 0.00 57.70 55.67 2cay n MET 1 Cb 0.17 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.37 2cay n MET 1 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2cay h GLU 2 N 0.55 0.35 0.00 0.03 4.81 -2.03 -3.35 114.58 114.94 2cay h GLU 2 Ca 0.00 -0.17 -0.31 0.00 -0.13 0.00 0.00 59.36 58.76 2cay h GLU 2 Cb 0.31 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 2cay h GLU 2 CO 0.00 0.70 -2.15 0.66 -0.73 0.00 0.00 179.01 177.48 2cay n TYR 3 N -4.03 0.00 -3.35 0.92 4.01 -1.15 -4.98 117.16 108.58 2cay n TYR 3 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 2cay n TYR 3 Cb 0.49 -0.81 -0.06 0.00 -0.31 0.00 0.00 39.34 38.65 2cay n TYR 3 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2cay s TRP 4 N -2.41 3.45 0.19 -0.72 0.52 -0.80 -4.59 118.94 114.59 2cay s TRP 4 Ca -0.16 0.98 0.08 0.00 0.02 0.00 0.00 56.10 57.03 2cay s TRP 4 Cb 0.06 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 2cay s TRP 4 CO 0.60 0.27 -0.16 -3.38 0.02 0.00 0.00 176.95 174.30 2cay s HIS 5 N -1.78 1.76 0.35 -1.98 -3.43 0.62 -4.70 115.29 106.14 2cay s HIS 5 Ca 0.47 -0.52 -0.27 0.00 -0.80 0.00 0.00 55.06 53.94 2cay s HIS 5 Cb -0.12 -0.84 -0.09 0.00 -1.43 0.00 0.00 32.58 30.09 2cay s HIS 5 CO 0.20 0.35 1.22 -0.47 -2.00 0.00 0.00 174.74 174.04 2cay s TYR 6 N -2.52 3.13 -0.09 0.38 5.04 -1.26 -0.20 117.35 121.83 2cay s TYR 6 Ca 0.19 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.37 2cay s TYR 6 Cb -0.03 -3.51 0.01 0.00 0.35 0.00 0.00 41.96 38.77 2cay s TYR 6 CO 0.07 -1.46 -0.19 0.08 -1.34 0.00 0.00 175.55 172.71 2cay s VAL 7 N -1.25 1.66 0.25 3.14 1.01 -1.11 -4.72 120.40 119.38 2cay s VAL 7 Ca 0.52 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2cay s VAL 7 Cb -0.35 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 2cay s VAL 7 CO 0.46 0.47 0.78 -1.61 0.00 0.00 0.00 175.10 175.20 2cay s GLU 8 N 0.49 4.35 0.20 2.72 2.02 -1.26 -4.58 118.70 122.64 2cay s GLU 8 Ca -0.17 1.00 0.03 0.00 0.02 0.00 0.00 54.97 55.85 2cay s GLU 8 Cb -0.17 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 2cay s GLU 8 CO 0.07 0.37 -0.03 0.95 0.02 0.00 0.00 175.26 176.64 2cay s THR 9 N -1.54 1.01 0.95 3.63 -4.23 -1.26 -1.62 115.64 112.58 2cay s THR 9 Ca 0.45 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 2cay s THR 9 Cb -0.17 -2.18 0.16 0.00 1.34 0.00 0.00 72.50 71.64 2cay s THR 9 CO 0.22 -0.45 1.09 0.42 -0.54 0.00 0.00 174.62 175.35 2cay s THR 10 N -3.44 2.40 0.35 3.99 -4.23 0.62 -4.83 115.64 110.50 2cay s THR 10 Ca 0.25 0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.98 2cay s THR 10 Cb 0.05 -2.58 0.32 0.00 1.34 0.00 0.00 72.50 71.64 2cay s THR 10 CO 0.06 -0.17 1.84 0.77 -0.54 0.00 0.00 174.62 176.58 2cay h SER 11 N -1.75 0.67 0.43 3.99 4.64 -2.00 -1.27 113.55 118.26 2cay h SER 11 Ca -0.52 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2cay h SER 11 Cb 1.30 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2cay h SER 11 CO 0.55 0.30 0.00 -1.54 -0.87 0.00 0.00 176.83 175.27 2cay n SER 12 N -4.61 0.00 0.00 4.97 3.41 -1.26 -4.89 113.62 111.24 2cay n SER 12 Ca 0.20 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2cay n SER 12 Cb 0.53 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2cay n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cay n GLY 13 N 1.03 1.10 3.67 5.00 0.00 -0.48 -5.07 105.19 110.44 2cay n GLY 13 Ca 0.15 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2cay n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cay s GLN 14 N -1.23 4.20 0.44 1.61 2.00 -1.26 -4.85 119.66 120.57 2cay s GLN 14 Ca 0.00 0.34 -0.24 0.00 -2.00 0.00 0.00 55.36 53.46 2cay s GLN 14 Cb 0.00 -3.54 -0.08 0.00 0.80 0.00 0.00 33.01 30.19 2cay s GLN 14 CO 0.00 -0.07 1.21 -1.25 -0.50 0.00 0.00 175.29 174.67 2cay s PRO 15 N 1.40 3.85 -0.38 1.67 0.04 -1.26 -0.27 135.00 140.04 2cay s PRO 15 Ca 0.22 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.98 2cay s PRO 15 Cb -0.15 -2.55 0.01 0.00 0.04 0.00 0.00 34.50 31.84 2cay s PRO 15 CO 0.09 -0.51 0.55 -0.51 0.04 0.00 0.00 177.00 176.66 2cay s LEU 16 N -2.77 4.43 0.26 -3.56 1.43 -0.64 -4.87 118.68 112.96 2cay s LEU 16 Ca 0.61 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2cay s LEU 16 Cb -0.32 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2cay s LEU 16 CO 0.40 -0.58 0.44 -0.76 0.23 0.00 0.00 176.35 176.08 2cay s LEU 17 N 2.51 4.17 0.74 1.79 1.02 -1.26 -4.78 118.68 122.87 2cay s LEU 17 Ca 0.20 0.35 -0.11 0.00 0.02 0.00 0.00 54.13 54.59 2cay s LEU 17 Cb -0.15 -3.16 0.03 0.00 0.02 0.00 0.00 46.19 42.93 2cay s LEU 17 CO 0.15 -0.14 1.07 -0.13 0.02 0.00 0.00 176.35 177.33 2cay s ARG 18 N -3.81 2.58 0.02 1.70 0.52 -1.26 -4.92 118.95 113.78 2cay s ARG 18 Ca 0.38 0.90 -0.35 0.00 -0.52 0.00 0.00 55.73 56.14 2cay s ARG 18 Cb -0.10 -1.95 -0.14 0.00 0.52 0.00 0.00 34.95 33.28 2cay s ARG 18 CO 0.31 -1.34 1.67 -1.91 0.02 0.00 0.00 175.30 174.06 2cay n GLU 19 N -3.28 1.94 -0.88 3.54 2.13 -1.26 -1.04 120.64 121.79 2cay n GLU 19 Ca 0.08 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2cay n GLU 19 Cb 0.54 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.78 2cay n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cay n GLY 20 N 3.73 0.74 3.70 8.31 0.00 -1.26 -4.99 105.19 115.42 2cay n GLY 20 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2cay n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cay s GLU 21 N -0.26 4.46 -0.03 1.61 2.12 -0.21 -5.02 118.70 121.38 2cay s GLU 21 Ca 0.00 1.25 0.07 0.00 0.36 0.00 0.00 54.97 56.65 2cay s GLU 21 Cb 0.00 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2cay s GLU 21 CO 0.00 -0.14 -0.23 0.15 -0.54 0.00 0.00 175.26 174.50 2cay s LYS 22 N 1.39 2.02 0.32 4.30 1.02 -1.26 -4.69 119.74 122.84 2cay s LYS 22 Ca 0.46 -0.83 -0.28 0.00 0.02 0.00 0.00 55.97 55.34 2cay s LYS 22 Cb -0.19 -1.87 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 2cay s LYS 22 CO 0.21 0.45 1.15 0.16 -0.92 0.00 0.00 175.35 176.40 2cay s ASP 23 N -0.41 7.02 -0.07 2.83 1.47 -1.26 -1.93 116.67 124.32 2cay s ASP 23 Ca 0.05 2.35 -0.01 0.00 1.18 0.00 0.00 52.55 56.12 2cay s ASP 23 Cb -0.10 -2.63 -0.04 0.00 -0.34 0.00 0.00 42.92 39.81 2cay s ASP 23 CO 0.00 -0.33 -0.08 -0.38 0.68 0.00 0.00 175.17 175.07 2cay n ILE 24 N 0.85 0.40 -3.64 2.11 5.41 0.84 -4.92 119.36 120.39 2cay n ILE 24 Ca 0.00 -0.13 -0.14 0.00 1.00 0.00 0.00 62.75 63.49 2cay n ILE 24 Cb 0.45 -1.12 -0.06 0.00 -0.71 0.00 0.00 39.64 38.19 2cay n ILE 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2cay s PHE 25 N -2.14 -0.34 0.02 1.39 5.36 -1.02 -4.99 117.98 116.26 2cay s PHE 25 Ca -0.10 0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.31 2cay s PHE 25 Cb 0.03 0.25 -0.01 0.00 -0.34 0.00 0.00 43.02 42.95 2cay s PHE 25 CO 0.14 -0.56 -0.06 0.42 -1.46 0.00 0.00 175.22 173.71 2cay s ILE 26 N -2.07 0.44 0.15 3.12 1.01 -1.26 -0.49 121.20 122.11 2cay s ILE 26 Ca -0.08 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2cay s ILE 26 Cb -0.01 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2cay s ILE 26 CO 0.01 -0.12 0.02 -0.62 0.00 0.00 0.00 174.94 174.22 2cay s ASP 27 N -0.79 0.88 0.25 3.58 3.68 -0.16 -4.98 116.67 119.13 2cay s ASP 27 Ca -0.04 -1.18 0.11 0.00 2.13 0.00 0.00 52.55 53.57 2cay s ASP 27 Cb -0.06 0.18 -0.05 0.00 -1.45 0.00 0.00 42.92 41.55 2cay s ASP 27 CO 0.00 -0.62 -0.14 -1.10 0.13 0.00 0.00 175.17 173.43 2cay s GLN 28 N -3.96 1.87 -1.23 4.34 1.11 -1.26 -0.27 119.66 120.26 2cay s GLN 28 Ca 0.23 -1.56 -0.00 0.00 0.01 0.00 0.00 55.36 54.04 2cay s GLN 28 Cb 0.07 -1.94 -0.00 0.00 -1.01 0.00 0.00 33.01 30.12 2cay s GLN 28 CO 0.03 0.37 0.90 0.43 0.01 0.00 0.00 175.29 177.02 2cay n SER 29 N -0.44 -1.92 -4.75 5.90 7.64 -0.81 -4.43 113.62 114.81 2cay n SER 29 Ca -0.08 -0.69 -0.35 0.00 1.01 0.00 0.00 58.87 58.77 2cay n SER 29 Cb 0.58 -4.78 -0.08 0.00 -1.01 0.00 0.00 64.21 58.93 2cay n SER 29 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2cay s VAL 30 N -3.46 4.65 0.21 0.44 1.01 0.07 -1.78 120.40 121.54 2cay s VAL 30 Ca 0.02 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.87 2cay s VAL 30 Cb -0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2cay s VAL 30 CO 0.76 0.52 -0.09 -0.83 0.00 0.00 0.00 175.10 175.45 2cay s GLY 31 N -1.20 1.73 0.02 4.51 0.00 -0.54 -1.28 107.32 110.56 2cay s GLY 31 Ca 0.17 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.33 2cay s GLY 31 CO 0.06 -1.62 0.03 1.08 0.00 0.00 0.00 173.10 172.66 2cay s LEU 32 N -3.11 3.64 0.03 0.66 1.43 -0.58 -0.31 118.68 120.44 2cay s LEU 32 Ca 0.27 0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2cay s LEU 32 Cb -0.08 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 2cay s LEU 32 CO 0.16 0.25 -0.22 -0.31 0.23 0.00 0.00 176.35 176.46 2cay s TYR 33 N -1.19 1.95 -0.25 0.29 2.02 -0.31 -1.29 117.35 118.57 2cay s TYR 33 Ca 0.23 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2cay s TYR 33 Cb -0.12 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 2cay s TYR 33 CO 0.14 0.07 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.54 2cay s HIS 34 N -0.73 3.08 0.00 2.71 5.65 -0.23 -2.06 115.29 123.71 2cay s HIS 34 Ca 0.09 -1.65 0.00 0.00 0.25 0.00 0.00 55.06 53.75 2cay s HIS 34 Cb -0.09 -2.04 0.00 0.00 -1.18 0.00 0.00 32.58 29.27 2cay s HIS 34 CO 0.01 -0.75 0.00 0.41 -0.65 0.00 0.00 174.74 173.76 2cay n GLY 35 N 4.64 3.06 0.00 1.59 0.00 0.12 -2.39 105.19 112.22 2cay n GLY 35 Ca -0.16 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.78 2cay n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cay n LYS 36 N 14.00 0.13 -3.87 1.61 5.02 -1.26 -4.63 118.16 129.16 2cay n LYS 36 Ca 0.00 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2cay n LYS 36 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 2cay n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2cay s SER 37 N -2.87 6.37 0.33 4.39 0.01 -1.00 -5.07 113.70 115.85 2cay s SER 37 Ca 0.18 0.45 -0.29 0.00 1.31 0.00 0.00 55.95 57.60 2cay s SER 37 Cb 0.19 -2.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.24 2cay s SER 37 CO 0.51 0.39 1.52 0.29 0.41 0.00 0.00 173.24 176.36 2cay n LYS 38 N 2.11 2.63 -2.53 12.44 5.02 -1.26 -1.06 118.16 135.50 2cay n LYS 38 Ca -0.20 0.93 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 2cay n LYS 38 Cb 0.55 -2.67 -0.02 0.00 -0.02 0.00 0.00 35.03 32.87 2cay n LYS 38 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2cay s ILE 39 N -0.59 4.07 0.32 -0.18 1.01 -0.41 -4.76 121.20 120.65 2cay s ILE 39 Ca 0.59 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.99 2cay s ILE 39 Cb -0.50 -4.54 -0.11 0.00 0.01 0.00 0.00 42.46 37.33 2cay s ILE 39 CO 0.57 -1.05 1.52 -0.76 0.00 0.00 0.00 174.94 175.22 2cay s LEU 40 N 4.90 4.35 0.00 2.97 1.43 -1.26 -1.73 118.68 129.34 2cay s LEU 40 Ca 0.50 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.53 2cay s LEU 40 Cb -0.09 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2cay s LEU 40 CO 0.30 -0.85 0.00 0.00 0.23 0.00 0.00 176.35 176.04 2cay n GLN 41 N 1.55 -0.68 -2.55 1.70 1.13 -1.26 -4.84 117.38 112.42 2cay n GLN 41 Ca 0.05 0.17 -0.18 0.00 -1.94 0.00 0.00 57.00 55.10 2cay n GLN 41 Cb 0.39 -3.73 0.02 0.00 0.11 0.00 0.00 30.24 27.03 2cay n GLN 41 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2cay n ARG 42 N -1.49 2.37 0.00 -1.09 5.12 -0.70 -4.87 116.66 116.00 2cay n ARG 42 Ca 0.00 -3.90 0.09 0.00 -1.93 0.00 0.00 57.85 52.11 2cay n ARG 42 Cb 0.17 -1.79 -0.02 0.00 -1.16 0.00 0.00 32.46 29.67 2cay n ARG 42 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2cay n GLN 43 N -0.32 1.49 -3.32 5.56 1.13 -1.26 -1.53 117.38 119.13 2cay n GLN 43 Ca 0.25 -0.77 -0.09 0.00 -1.94 0.00 0.00 57.00 54.45 2cay n GLN 43 Cb 0.75 -1.34 -0.07 0.00 0.11 0.00 0.00 30.24 29.69 2cay n GLN 43 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2cay s ARG 44 N -2.17 0.39 0.23 -1.09 3.52 -1.21 -3.78 118.95 114.84 2cay s ARG 44 Ca 0.14 0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 55.94 2cay s ARG 44 Cb 0.15 -0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.17 2cay s ARG 44 CO 0.50 -0.83 0.51 0.20 -0.81 0.00 0.00 175.30 174.86 2cay s GLY 45 N 2.55 0.30 0.21 8.12 0.00 -0.40 -1.18 107.32 116.92 2cay s GLY 45 Ca 0.11 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 44.03 2cay s GLY 45 CO -0.23 -0.48 0.63 0.50 0.00 0.00 0.00 173.10 173.52 2cay s ARG 46 N -3.97 4.04 -0.12 2.90 0.52 -0.39 -0.75 118.95 121.19 2cay s ARG 46 Ca 0.17 0.61 0.01 0.00 -0.52 0.00 0.00 55.73 56.00 2cay s ARG 46 Cb -0.01 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2cay s ARG 46 CO 0.05 0.38 -0.14 -1.50 0.02 0.00 0.00 175.30 174.12 2cay s ILE 47 N -1.61 3.02 -0.08 1.52 1.10 0.63 -0.63 121.20 125.14 2cay s ILE 47 Ca 0.43 -0.69 0.04 0.00 -0.51 0.00 0.00 60.65 59.92 2cay s ILE 47 Cb -0.14 -2.25 -0.01 0.00 0.15 0.00 0.00 42.46 40.21 2cay s ILE 47 CO 0.20 0.54 -0.20 -0.36 -2.11 0.00 0.00 174.94 173.01 2cay s PHE 48 N 0.17 2.61 -0.19 3.50 0.40 0.12 -0.99 117.98 123.60 2cay s PHE 48 Ca -0.08 -0.67 -0.08 0.00 -0.60 0.00 0.00 56.93 55.50 2cay s PHE 48 Cb -0.15 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2cay s PHE 48 CO 0.05 -0.19 0.08 -1.17 0.70 0.00 0.00 175.22 174.68 2cay s LEU 49 N -0.01 3.86 0.45 -0.37 2.96 0.36 -0.57 118.68 125.37 2cay s LEU 49 Ca -0.06 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2cay s LEU 49 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2cay s LEU 49 CO 0.05 0.16 0.09 0.42 -1.32 0.00 0.00 176.35 175.75 2cay s THR 50 N 0.45 1.84 0.64 3.68 -4.23 0.07 -0.12 115.64 117.97 2cay s THR 50 Ca 0.04 -1.87 0.30 0.00 -1.18 0.00 0.00 61.69 58.98 2cay s THR 50 Cb -0.12 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.33 2cay s THR 50 CO 0.00 0.00 1.94 0.77 -0.54 0.00 0.00 174.62 176.79 2cay h SER 51 N 1.48 0.00 0.00 3.99 4.64 -1.74 -3.23 113.55 118.68 2cay h SER 51 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2cay h SER 51 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2cay h SER 51 CO 0.74 0.00 -0.96 0.00 -0.87 0.00 0.00 176.83 175.75 2cay n GLN 52 N -3.16 2.34 -4.02 4.77 6.02 -1.26 -5.00 117.38 117.08 2cay n GLN 52 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 2cay n GLN 52 Cb 0.44 -0.98 -0.09 0.00 1.02 0.00 0.00 30.24 30.63 2cay n GLN 52 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2cay s ARG 53 N -1.94 0.73 -0.16 -1.09 0.52 -1.22 -1.23 118.95 114.56 2cay s ARG 53 Ca 0.00 -1.16 -0.05 0.00 -0.52 0.00 0.00 55.73 54.00 2cay s ARG 53 Cb 0.00 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 2cay s ARG 53 CO 0.00 -0.18 0.00 0.42 0.02 0.00 0.00 175.30 175.56 2cay s ILE 54 N -3.92 4.26 -0.09 1.52 1.01 -0.56 -0.75 121.20 122.67 2cay s ILE 54 Ca 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2cay s ILE 54 Cb 0.07 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2cay s ILE 54 CO -0.09 0.49 -0.16 -0.63 0.00 0.00 0.00 174.94 174.55 2cay s ILE 55 N 0.27 1.50 -0.26 2.92 1.01 0.27 -0.60 121.20 126.31 2cay s ILE 55 Ca -0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2cay s ILE 55 Cb -0.13 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 2cay s ILE 55 CO 0.02 0.44 0.17 -0.47 0.00 0.00 0.00 174.94 175.09 2cay s TYR 56 N 0.78 3.23 -0.38 3.97 5.04 0.13 -0.70 117.35 129.42 2cay s TYR 56 Ca -0.11 0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.53 2cay s TYR 56 Cb -0.16 -2.33 0.05 0.00 0.35 0.00 0.00 41.96 39.88 2cay s TYR 56 CO 0.02 -0.11 0.20 0.42 -1.34 0.00 0.00 175.55 174.74 2cay s ILE 57 N 1.50 4.18 0.23 3.14 -1.09 0.20 -0.76 121.20 128.60 2cay s ILE 57 Ca 0.07 -1.19 -0.31 0.00 -2.23 0.00 0.00 60.65 56.99 2cay s ILE 57 Cb -0.15 -3.44 -0.12 0.00 -1.58 0.00 0.00 42.46 37.17 2cay s ILE 57 CO 0.08 -0.34 1.67 -0.67 -1.23 0.00 0.00 174.94 174.45 2cay n ASP 58 N 4.90 3.90 -0.11 3.58 2.03 -1.26 -1.26 116.55 128.34 2cay n ASP 58 Ca -0.11 1.09 -0.11 0.00 0.52 0.00 0.00 54.79 56.18 2cay n ASP 58 Cb 0.44 -1.57 -0.03 0.00 -0.72 0.00 0.00 41.12 39.24 2cay n ASP 58 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2cay h ASP 59 N 6.06 0.57 -0.00 1.67 3.32 -1.50 -3.04 116.42 123.50 2cay h ASP 59 Ca -0.44 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.26 2cay h ASP 59 Cb 1.21 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2cay h ASP 59 CO 0.90 0.76 -0.08 0.00 -1.72 0.00 0.00 179.24 179.10 2cay h ALA 60 N 0.83 0.01 -2.30 3.45 0.00 -1.92 -3.40 119.26 115.93 2cay h ALA 60 Ca 0.09 -0.41 -0.59 0.00 0.00 0.00 0.00 54.91 54.00 2cay h ALA 60 Cb 0.48 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.87 2cay h ALA 60 CO 0.02 -0.05 -0.86 1.63 0.00 0.00 0.00 179.25 179.99 2cay n LYS 61 N -4.65 1.25 -0.01 0.00 5.02 -1.26 -4.98 118.16 113.53 2cay n LYS 61 Ca -0.09 -3.80 0.01 0.00 -2.02 0.00 0.00 58.31 52.41 2cay n LYS 61 Cb 0.42 -1.76 0.34 0.00 -0.02 0.00 0.00 35.03 34.01 2cay n LYS 61 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2cay h PRO 62 N 4.63 0.55 -0.00 1.97 0.13 -1.76 0.34 132.00 137.86 2cay h PRO 62 Ca 0.16 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2cay h PRO 62 Cb 0.81 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2cay h PRO 62 CO 0.58 0.48 -0.01 0.25 -0.23 0.00 0.00 178.00 179.08 2cay n THR 63 N -4.36 0.00 -0.04 1.56 -2.24 -1.26 -3.61 114.28 104.33 2cay n THR 63 Ca 0.02 -0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 2cay n THR 63 Cb 0.17 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 2cay n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cay n GLN 64 N -1.30 0.19 -0.37 -0.78 6.02 -0.90 -4.82 117.38 115.42 2cay n GLN 64 Ca 0.13 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.25 2cay n GLN 64 Cb 0.26 -1.03 0.23 0.00 1.02 0.00 0.00 30.24 30.72 2cay n GLN 64 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2cay n ASN 65 N -2.95 3.67 -4.81 1.08 3.02 0.06 -4.99 115.26 110.35 2cay n ASN 65 Ca -0.15 -2.56 -0.35 0.00 -0.03 0.00 0.00 54.58 51.50 2cay n ASN 65 Cb 0.64 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 2cay n ASN 65 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2cay s SER 66 N -1.42 7.09 0.04 6.41 0.01 -1.24 -4.41 113.70 120.18 2cay s SER 66 Ca 0.36 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.26 2cay s SER 66 Cb 0.26 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2cay s SER 66 CO 0.14 -0.15 -0.04 -0.76 0.41 0.00 0.00 173.24 172.84 2cay s LEU 67 N -2.47 2.32 0.06 2.44 1.43 0.06 -2.74 118.68 119.78 2cay s LEU 67 Ca 0.52 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 2cay s LEU 67 Cb -0.14 0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 2cay s LEU 67 CO 0.19 -0.36 -0.15 -0.83 0.23 0.00 0.00 176.35 175.43 2cay s GLY 68 N -1.92 0.87 -0.05 -3.19 0.00 0.72 0.20 107.32 103.95 2cay s GLY 68 Ca -0.08 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.75 2cay s GLY 68 CO -0.03 -0.93 -0.18 -2.27 0.00 0.00 0.00 173.10 169.69 2cay s LEU 69 N -1.41 1.92 -0.05 0.66 2.96 0.23 -0.27 118.68 122.71 2cay s LEU 69 Ca 0.01 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2cay s LEU 69 Cb -0.09 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 2cay s LEU 69 CO 0.02 0.15 1.05 -1.61 -1.32 0.00 0.00 176.35 174.64 2cay s GLU 70 N 0.11 4.45 0.43 1.98 0.41 -1.26 -1.49 118.70 123.33 2cay s GLU 70 Ca -0.06 1.48 0.14 0.00 -0.41 0.00 0.00 54.97 56.12 2cay s GLU 70 Cb -0.13 -3.50 1.04 0.00 -1.78 0.00 0.00 34.13 29.76 2cay s GLU 70 CO 0.03 -0.25 1.96 -0.07 -0.49 0.00 0.00 175.26 176.44 2cay h LEU 71 N 7.57 0.38 -1.65 1.80 3.38 -1.50 -1.15 115.31 124.14 2cay h LEU 71 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2cay h LEU 71 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2cay h LEU 71 CO 0.82 0.22 0.00 -0.78 0.09 0.00 0.00 178.44 178.79 2cay h ASP 72 N 0.41 0.00 0.00 -0.43 3.58 -1.92 -1.99 116.42 116.07 2cay h ASP 72 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2cay h ASP 72 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2cay h ASP 72 CO -0.09 0.00 -0.03 0.47 -2.88 0.00 0.00 179.24 176.72 2cay n ASP 73 N -2.43 1.68 -4.81 2.28 8.00 -0.43 -4.94 116.55 115.90 2cay n ASP 73 Ca -0.01 -1.52 -0.32 0.00 0.71 0.00 0.00 54.79 53.64 2cay n ASP 73 Cb 0.07 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 2cay n ASP 73 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cay s LEU 74 N -2.04 3.98 -0.15 0.64 1.43 -0.75 -1.11 118.68 120.68 2cay s LEU 74 Ca 0.35 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2cay s LEU 74 Cb 0.21 -2.41 -0.12 0.00 0.03 0.00 0.00 46.19 43.90 2cay s LEU 74 CO 0.35 0.24 -0.09 0.00 0.23 0.00 0.00 176.35 177.08 2cay n ALA 75 N 0.95 1.67 -2.69 4.21 0.00 0.42 -4.65 120.51 120.42 2cay n ALA 75 Ca -0.11 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 2cay n ALA 75 Cb 0.52 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 2cay n ALA 75 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2cay s TYR 76 N -2.31 0.11 0.04 0.00 2.02 -1.15 -5.03 117.35 111.02 2cay s TYR 76 Ca -0.17 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.14 2cay s TYR 76 Cb 0.05 -0.05 -0.02 0.00 -0.40 0.00 0.00 41.96 41.54 2cay s TYR 76 CO 0.40 -0.49 -0.16 0.14 -1.57 0.00 0.00 175.55 173.87 2cay s VAL 77 N -3.28 1.30 -0.04 0.71 -7.23 -1.26 -1.06 120.40 109.54 2cay s VAL 77 Ca 0.00 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2cay s VAL 77 Cb 0.02 -1.15 0.03 0.00 0.56 0.00 0.00 36.38 35.84 2cay s VAL 77 CO -0.08 0.09 0.01 0.21 -0.31 0.00 0.00 175.10 175.03 2cay s ASN 78 N -1.09 0.88 0.07 4.85 2.47 -0.24 -4.97 114.94 116.91 2cay s ASN 78 Ca 0.04 -0.02 -0.28 0.00 0.42 0.00 0.00 52.86 53.02 2cay s ASN 78 Cb -0.08 -0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 39.40 2cay s ASN 78 CO 0.01 -0.16 0.87 -0.47 -3.72 0.00 0.00 177.10 173.64 2cay s TYR 79 N 1.51 3.77 -0.10 0.43 5.04 -1.26 -0.71 117.35 126.03 2cay s TYR 79 Ca -0.03 1.65 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 2cay s TYR 79 Cb -0.13 -2.95 0.01 0.00 0.35 0.00 0.00 41.96 39.24 2cay s TYR 79 CO -0.03 0.22 -0.14 0.45 -1.34 0.00 0.00 175.55 174.71 2cay s SER 80 N 0.04 2.30 0.00 4.32 0.15 0.44 -4.99 113.70 115.96 2cay s SER 80 Ca 0.43 -0.39 0.22 0.00 0.70 0.00 0.00 55.95 56.91 2cay s SER 80 Cb -0.22 -1.02 0.95 0.00 -1.71 0.00 0.00 66.02 64.02 2cay s SER 80 CO 0.27 0.01 1.66 -1.54 1.20 0.00 0.00 173.24 174.83 2cay n SER 81 N 4.18 1.13 -0.08 5.45 3.41 -1.26 -0.71 113.62 125.73 2cay n SER 81 Ca -0.19 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2cay n SER 81 Cb 0.51 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2cay n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cay n GLY 82 N 1.04 1.21 0.07 5.00 0.00 -1.26 -4.48 105.19 106.78 2cay n GLY 82 Ca 0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 2cay n GLY 82 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2cay h PHE 83 N 0.00 0.07 0.00 1.61 3.57 -1.91 -3.37 116.94 116.91 2cay h PHE 83 Ca 0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2cay h PHE 83 Cb 0.39 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2cay h PHE 83 CO 0.00 0.86 -1.34 1.28 -2.23 0.00 0.00 178.31 176.88 2cay n LEU 84 N -4.64 0.66 -4.88 0.59 4.77 -1.26 -4.94 117.00 107.30 2cay n LEU 84 Ca -0.10 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 2cay n LEU 84 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2cay n LEU 84 CO 0.35 -0.05 -0.03 0.42 -1.33 0.00 0.00 177.39 176.76 2cay s THR 85 N -3.26 5.25 0.23 -5.08 -4.23 -1.26 -4.99 115.64 102.30 2cay s THR 85 Ca -0.03 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 2cay s THR 85 Cb 0.10 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.54 2cay s THR 85 CO 0.82 0.32 1.81 0.03 -0.54 0.00 0.00 174.62 177.06 2cay h ARG 86 N 3.83 0.74 -6.63 3.99 3.08 -1.92 -3.42 114.38 114.05 2cay h ARG 86 Ca -0.49 -0.04 -0.66 0.00 0.07 0.00 0.00 59.98 58.85 2cay h ARG 86 Cb 1.19 -0.17 -0.17 0.00 0.08 0.00 0.00 29.97 30.90 2cay h ARG 86 CO 0.67 0.49 -0.77 -1.12 -1.07 0.00 0.00 179.97 178.16 2cay s SER 87 N -5.61 4.02 0.82 7.04 0.01 -1.26 -4.99 113.70 113.73 2cay s SER 87 Ca -0.13 -0.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.46 2cay s SER 87 Cb 0.18 -0.61 0.09 0.00 0.21 0.00 0.00 66.02 65.89 2cay s SER 87 CO 0.78 0.16 1.18 -2.84 0.41 0.00 0.00 173.24 172.92 2cay s PRO 88 N -2.34 1.58 0.00 12.44 0.02 -1.26 -4.41 135.00 141.04 2cay s PRO 88 Ca 0.20 1.64 0.03 0.00 0.02 0.00 0.00 61.00 62.89 2cay s PRO 88 Cb -0.10 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 2cay s PRO 88 CO 0.12 -2.23 -0.10 1.03 -0.33 0.00 0.00 177.00 175.49 2cay s ARG 89 N -4.33 0.74 -0.26 5.54 1.81 0.12 -1.64 118.95 120.92 2cay s ARG 89 Ca 0.70 -0.43 -0.07 0.00 -1.72 0.00 0.00 55.73 54.22 2cay s ARG 89 Cb -0.26 -0.70 -0.01 0.00 -0.45 0.00 0.00 34.95 33.53 2cay s ARG 89 CO 0.52 0.19 0.06 -1.17 -0.68 0.00 0.00 175.30 174.22 2cay s LEU 90 N -0.48 3.49 -0.23 2.53 2.96 0.09 -0.42 118.68 126.63 2cay s LEU 90 Ca 0.02 -0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 2cay s LEU 90 Cb -0.05 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2cay s LEU 90 CO -0.00 -0.08 0.32 -0.63 -1.32 0.00 0.00 176.35 174.64 2cay s ILE 91 N 1.56 5.24 -0.23 6.68 -1.09 0.12 -0.66 121.20 132.82 2cay s ILE 91 Ca 0.05 0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 58.92 2cay s ILE 91 Cb -0.16 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2cay s ILE 91 CO 0.02 0.26 0.08 -0.76 -1.23 0.00 0.00 174.94 173.31 2cay s LEU 92 N 1.42 3.63 -0.22 2.97 1.43 0.85 -1.08 118.68 127.68 2cay s LEU 92 Ca 0.15 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2cay s LEU 92 Cb -0.15 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 2cay s LEU 92 CO 0.07 0.03 0.13 -0.36 0.23 0.00 0.00 176.35 176.45 2cay s PHE 93 N 1.27 3.33 0.46 0.29 0.08 -0.22 -1.83 117.98 121.35 2cay s PHE 93 Ca 0.05 0.21 -0.14 0.00 0.12 0.00 0.00 56.93 57.17 2cay s PHE 93 Cb -0.15 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.04 2cay s PHE 93 CO 0.04 0.14 0.88 -0.06 -0.10 0.00 0.00 175.22 176.12 2cay s PHE 94 N 0.72 3.46 0.27 0.36 0.08 -1.26 -0.44 117.98 121.17 2cay s PHE 94 Ca 0.07 1.27 0.02 0.00 0.12 0.00 0.00 56.93 58.41 2cay s PHE 94 Cb -0.13 -2.63 0.38 0.00 -0.57 0.00 0.00 43.02 40.08 2cay s PHE 94 CO 0.01 -0.24 1.70 0.87 -0.10 0.00 0.00 175.22 177.47 2cay h LYS 95 N 1.11 0.49 -2.04 0.44 1.57 -1.38 -3.40 116.57 113.37 2cay h LYS 95 Ca -0.47 -0.19 -0.53 0.00 -1.87 0.00 0.00 60.65 57.59 2cay h LYS 95 Cb 1.19 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.07 2cay h LYS 95 CO 0.63 0.72 -1.08 -3.47 -0.57 0.00 0.00 179.45 175.68 2cay n ASP 96 N -4.11 1.05 -4.79 0.86 2.03 -1.26 -5.02 116.55 105.32 2cay n ASP 96 Ca -0.01 -2.96 -0.35 0.00 0.52 0.00 0.00 54.79 51.99 2cay n ASP 96 Cb 0.42 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 2cay n ASP 96 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2cay s PRO 97 N -2.00 3.68 0.28 -0.67 0.04 -1.26 -4.92 135.00 130.14 2cay s PRO 97 Ca 0.39 1.49 0.24 0.00 0.04 0.00 0.00 61.00 63.16 2cay s PRO 97 Cb 0.26 -2.13 0.45 0.00 0.04 0.00 0.00 34.50 33.12 2cay s PRO 97 CO -0.09 -0.55 1.55 0.77 0.04 0.00 0.00 177.00 178.71 2cay h SER 98 N 1.56 0.00 -5.08 6.66 0.02 -1.99 -3.47 113.55 111.25 2cay h SER 98 Ca -0.50 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.37 2cay h SER 98 Cb 1.24 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.65 2cay h SER 98 CO 0.59 0.02 -0.06 -0.55 -1.14 0.00 0.00 176.83 175.68 2cay s SER 99 N -5.23 -0.24 0.00 3.07 0.15 -1.26 -5.03 113.70 105.16 2cay s SER 99 Ca 0.07 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 56.63 2cay s SER 99 Cb 0.09 0.49 1.44 0.00 -1.71 0.00 0.00 66.02 66.33 2cay s SER 99 CO 0.67 -0.88 1.93 -1.20 1.20 0.00 0.00 173.24 174.96 2cay n SER 252 N -0.24 0.14 0.08 5.45 7.64 -1.26 -1.14 113.62 124.29 2cay n SER 252 Ca -0.15 -1.25 0.13 0.00 1.01 0.00 0.00 58.87 58.61 2cay n SER 252 Cb 0.64 -0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.22 2cay n SER 252 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2cay n THR 253 N -0.79 0.43 -3.23 0.44 -2.24 -1.26 -4.69 114.28 102.94 2cay n THR 253 Ca 0.19 -0.23 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 2cay n THR 253 Cb 0.11 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 2cay n THR 253 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cay s GLU 254 N -3.09 3.05 0.29 -0.78 0.41 -0.29 -4.10 118.70 114.18 2cay s GLU 254 Ca 0.10 -1.23 -0.11 0.00 -0.41 0.00 0.00 54.97 53.33 2cay s GLU 254 Cb 0.14 -4.18 0.01 0.00 -1.78 0.00 0.00 34.13 28.32 2cay s GLU 254 CO 0.62 -1.27 0.53 -0.59 -0.49 0.00 0.00 175.26 174.06 2cay s PHE 255 N 2.25 0.48 0.15 1.61 -0.12 -1.26 -4.69 117.98 116.40 2cay s PHE 255 Ca 0.10 -0.85 0.11 0.00 -0.05 0.00 0.00 56.93 56.23 2cay s PHE 255 Cb -0.23 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2cay s PHE 255 CO 0.08 -1.12 -0.23 0.08 -0.05 0.00 0.00 175.22 173.98 2cay s VAL 256 N -3.54 2.45 0.05 -2.49 1.01 -0.76 0.15 120.40 117.26 2cay s VAL 256 Ca 0.23 -1.80 0.06 0.00 0.00 0.00 0.00 61.98 60.47 2cay s VAL 256 Cb -0.01 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 2cay s VAL 256 CO 0.12 0.01 -0.17 -1.10 0.00 0.00 0.00 175.10 173.96 2cay s GLN 257 N -2.32 1.09 -0.19 2.72 -0.21 -0.87 -0.11 119.66 119.77 2cay s GLN 257 Ca 0.18 -0.87 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 2cay s GLN 257 Cb -0.09 -1.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.73 2cay s GLN 257 CO 0.09 0.29 0.04 -0.51 -2.12 0.00 0.00 175.29 173.07 2cay s LEU 258 N -1.26 3.65 -0.19 2.90 1.43 0.17 -1.17 118.68 124.21 2cay s LEU 258 Ca 0.04 0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2cay s LEU 258 Cb -0.08 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2cay s LEU 258 CO 0.02 0.15 -0.08 -0.55 0.23 0.00 0.00 176.35 176.11 2cay s SER 259 N 0.53 4.16 -0.51 2.29 0.15 0.57 -0.73 113.70 120.16 2cay s SER 259 Ca 0.02 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.12 2cay s SER 259 Cb -0.13 -1.68 0.08 0.00 -1.71 0.00 0.00 66.02 62.58 2cay s SER 259 CO 0.01 0.05 0.54 -0.36 1.20 0.00 0.00 173.24 174.68 2cay s PHE 260 N 1.05 3.14 -0.57 3.44 0.08 -0.65 -1.46 117.98 123.01 2cay s PHE 260 Ca 0.00 -0.87 0.24 0.00 0.12 0.00 0.00 56.93 56.42 2cay s PHE 260 Cb -0.15 -3.53 0.25 0.00 -0.57 0.00 0.00 43.02 39.02 2cay s PHE 260 CO -0.01 -0.99 1.24 0.00 -0.10 0.00 0.00 175.22 175.36 2cay h ARG 261 N 8.93 0.00 0.00 0.44 -0.00 -1.61 -3.38 114.38 118.76 2cay h ARG 261 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.19 2cay h ARG 261 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2cay h ARG 261 CO 0.97 0.00 -0.03 1.63 0.00 0.00 0.00 179.97 182.54 2cay n LYS 262 N -2.19 1.36 -3.96 0.04 4.76 -1.26 -5.07 118.16 111.84 2cay n LYS 262 Ca 0.03 -1.07 -0.09 0.00 -2.87 0.00 0.00 58.31 54.30 2cay n LYS 262 Cb 0.46 -0.77 -0.05 0.00 -1.84 0.00 0.00 35.03 32.82 2cay n LYS 262 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2cay s SER 263 N -0.64 -0.09 0.00 4.39 1.04 -1.26 -5.02 113.70 112.12 2cay s SER 263 Ca 0.02 -0.87 0.30 0.00 0.48 0.00 0.00 55.95 55.88 2cay s SER 263 Cb 0.01 0.56 1.52 0.00 0.10 0.00 0.00 66.02 68.21 2cay s SER 263 CO 0.00 -1.08 2.03 -0.90 0.98 0.00 0.00 173.24 174.27 2cay n ASP 264 N -0.35 0.27 0.00 7.02 5.68 -1.26 -4.77 116.55 123.14 2cay n ASP 264 Ca -0.03 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 2cay n ASP 264 Cb 0.62 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2cay n ASP 264 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cay n GLY 265 N 1.18 0.22 0.06 6.12 0.00 -1.26 -4.81 105.19 106.70 2cay n GLY 265 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2cay n GLY 265 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2cay h VAL 266 N 0.00 1.40 -0.67 1.61 2.07 -1.99 -1.63 116.25 117.04 2cay h VAL 266 Ca 0.00 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 2cay h VAL 266 Cb 0.53 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2cay h VAL 266 CO 0.00 0.32 0.22 -0.07 0.02 0.00 0.00 177.57 178.06 2cay h LEU 267 N -0.46 0.95 -0.42 2.57 3.38 -1.99 -0.78 115.31 118.55 2cay h LEU 267 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2cay h LEU 267 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2cay h LEU 267 CO 0.00 0.88 0.24 0.15 0.09 0.00 0.00 178.44 179.80 2cay h PHE 268 N 0.99 0.57 -0.43 1.13 3.57 -1.93 -1.64 116.94 119.19 2cay h PHE 268 Ca 0.22 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2cay h PHE 268 Cb 0.27 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2cay h PHE 268 CO 0.02 0.43 0.01 0.77 -2.23 0.00 0.00 178.31 177.31 2cay h SER 269 N 0.55 0.73 -0.62 0.41 0.02 -1.05 -0.93 113.55 112.66 2cay h SER 269 Ca 0.15 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2cay h SER 269 Cb 0.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2cay h SER 269 CO -0.03 0.85 0.40 1.56 -1.14 0.00 0.00 176.83 178.48 2cay h GLN 270 N 0.59 0.83 -0.73 3.45 4.20 -1.06 -0.46 115.11 121.93 2cay h GLN 270 Ca 0.12 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2cay h GLN 270 Cb 0.47 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2cay h GLN 270 CO 0.02 0.56 0.21 0.00 -0.67 0.00 0.00 178.83 178.95 2cay h ALA 271 N 1.22 0.96 -0.41 3.87 0.00 -1.14 -2.44 119.26 121.30 2cay h ALA 271 Ca 0.23 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2cay h ALA 271 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2cay h ALA 271 CO -0.05 0.65 0.03 1.15 0.00 0.00 0.00 179.25 181.04 2cay h THR 272 N 1.09 1.25 -0.81 0.00 2.02 -0.79 -0.93 112.91 114.74 2cay h THR 272 Ca 0.23 -0.96 0.12 0.00 0.77 0.00 0.00 66.41 66.58 2cay h THR 272 Cb 0.33 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 2cay h THR 272 CO -0.00 0.33 0.41 -0.33 0.37 0.00 0.00 175.52 176.30 2cay h GLU 273 N 0.55 0.62 -0.26 6.66 5.08 -0.94 0.36 114.58 126.66 2cay h GLU 273 Ca 0.12 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2cay h GLU 273 Cb 0.43 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2cay h GLU 273 CO 0.02 0.41 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.07 2cay h ARG 274 N 0.64 0.64 -0.38 2.33 2.43 -1.07 -0.83 114.38 118.13 2cay h ARG 274 Ca 0.42 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2cay h ARG 274 Cb 0.53 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2cay h ARG 274 CO -0.32 0.95 0.01 0.00 -1.51 0.00 0.00 179.97 179.10 2cay h ALA 275 N 0.68 0.51 0.14 2.80 0.00 -0.84 -1.54 119.26 121.00 2cay h ALA 275 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2cay h ALA 275 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2cay h ALA 275 CO 0.07 0.28 -0.13 1.25 0.00 0.00 0.00 179.25 180.72 2cay h LEU 276 N 0.49 -0.34 -1.28 0.00 5.85 -0.95 -2.83 115.31 116.26 2cay h LEU 276 Ca 0.11 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2cay h LEU 276 Cb 0.45 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2cay h LEU 276 CO 0.02 -0.20 0.56 -0.08 -0.34 0.00 0.00 178.44 178.40 2cay h GLU 277 N -0.29 0.74 -0.95 1.25 4.57 -0.92 -0.55 114.58 118.44 2cay h GLU 277 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2cay h GLU 277 Cb 0.27 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 2cay h GLU 277 CO -0.03 0.49 0.58 -0.91 -1.18 0.00 0.00 179.01 177.96 2cay h ASN 278 N 0.76 1.13 -0.13 1.04 2.35 -1.07 -1.25 115.58 118.41 2cay h ASN 278 Ca 0.41 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 56.01 2cay h ASN 278 Cb 0.54 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2cay h ASN 278 CO -0.18 0.86 -0.27 0.40 -1.65 0.00 0.00 177.43 176.59 2cay h ILE 279 N 1.30 1.37 -0.64 2.81 2.04 -1.05 -2.49 117.51 120.86 2cay h ILE 279 Ca 0.34 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 2cay h ILE 279 Cb -0.07 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2cay h ILE 279 CO -0.07 0.46 0.37 -0.07 0.00 0.00 0.00 178.15 178.84 2cay h LEU 280 N 0.01 0.78 0.00 1.44 3.38 -0.85 -2.81 115.31 117.26 2cay h LEU 280 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2cay h LEU 280 Cb 0.87 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2cay h LEU 280 CO 0.06 0.63 -0.40 0.71 0.09 0.00 0.00 178.44 179.54 2cay h THR 281 N 0.87 0.06 0.00 0.22 1.35 -1.34 -3.51 112.91 110.56 2cay h THR 281 Ca 0.23 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2cay h THR 281 Cb 0.01 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2cay h THR 281 CO -0.04 0.04 0.00 -1.84 -0.25 0.00 0.00 175.52 173.43