#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0e s PHE 3 N 0.00 3.44 -0.02 -0.67 0.08 -1.26 -0.91 117.98 118.64 3f0e s PHE 3 Ca 0.00 1.38 -0.04 0.00 0.12 0.00 0.00 56.93 58.39 3f0e s PHE 3 Cb 0.00 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 3f0e s PHE 3 CO 0.00 -0.28 0.09 1.03 -0.10 0.00 0.00 175.22 175.96 3f0e s ARG 4 N -3.92 0.27 0.11 0.44 1.81 -0.05 -4.95 118.95 112.66 3f0e s ARG 4 Ca 0.57 -0.15 0.07 0.00 -1.72 0.00 0.00 55.73 54.50 3f0e s ARG 4 Cb -0.10 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 3f0e s ARG 4 CO 0.29 -0.05 -0.07 0.96 -0.68 0.00 0.00 175.30 175.76 3f0e s ILE 5 N -0.65 3.55 0.10 1.52 -4.36 -1.26 -1.26 121.20 118.84 3f0e s ILE 5 Ca -0.07 -1.24 0.04 0.00 -0.26 0.00 0.00 60.65 59.11 3f0e s ILE 5 Cb -0.04 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 3f0e s ILE 5 CO 0.00 0.07 -0.11 -0.83 0.24 0.00 0.00 174.94 174.32 3f0e s GLY 6 N -2.35 0.88 -0.01 6.27 0.00 -0.12 -4.03 107.32 107.95 3f0e s GLY 6 Ca 0.23 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.79 3f0e s GLY 6 CO 0.15 -1.27 -0.12 -0.86 0.00 0.00 0.00 173.10 171.00 3f0e s GLN 7 N -2.76 0.96 0.06 2.90 1.03 -1.26 -1.74 119.66 118.84 3f0e s GLN 7 Ca 0.06 -0.43 0.06 0.00 0.04 0.00 0.00 55.36 55.09 3f0e s GLN 7 Cb -0.03 -0.93 -0.03 0.00 0.03 0.00 0.00 33.01 32.05 3f0e s GLN 7 CO 0.01 0.25 -0.18 0.20 -2.54 0.00 0.00 175.29 173.03 3f0e s GLY 8 N -0.30 0.99 -0.00 2.60 0.00 0.47 -4.07 107.32 107.01 3f0e s GLY 8 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3f0e s GLY 8 CO -0.00 -0.97 -0.00 -0.47 0.00 0.00 0.00 173.10 171.66 3f0e s TYR 9 N -0.93 0.06 0.02 1.90 6.14 -1.26 -1.04 117.35 122.23 3f0e s TYR 9 Ca 0.04 0.01 -0.15 0.00 0.64 0.00 0.00 57.07 57.61 3f0e s TYR 9 Cb -0.09 -0.07 0.02 0.00 0.42 0.00 0.00 41.96 42.24 3f0e s TYR 9 CO 0.02 -0.02 0.32 0.34 0.64 0.00 0.00 175.55 176.85 3f0e s ASP 10 N 0.16 -0.17 -0.08 4.32 2.15 -0.35 -4.68 116.67 118.01 3f0e s ASP 10 Ca -0.01 -0.06 -0.10 0.00 0.43 0.00 0.00 52.55 52.82 3f0e s ASP 10 Cb -0.02 0.34 0.02 0.00 -0.30 0.00 0.00 42.92 42.97 3f0e s ASP 10 CO -0.00 -0.55 0.26 0.54 -0.17 0.00 0.00 175.17 175.24 3f0e s VAL 11 N -2.03 0.01 0.02 1.11 0.11 -1.26 -0.78 120.40 117.59 3f0e s VAL 11 Ca -0.09 -0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 3f0e s VAL 11 Cb -0.03 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3f0e s VAL 11 CO 0.00 -0.05 -0.01 -1.00 -3.33 0.00 0.00 175.10 170.70 3f0e s HIS 12 N -0.12 0.27 0.40 1.54 3.76 -1.02 -5.01 115.29 115.12 3f0e s HIS 12 Ca -0.02 -0.55 -0.24 0.00 -0.15 0.00 0.00 55.06 54.09 3f0e s HIS 12 Cb -0.03 -0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.38 3f0e s HIS 12 CO 0.01 -0.22 1.09 -0.65 -0.85 0.00 0.00 174.74 174.12 3f0e s GLN 13 N -1.72 4.12 -0.31 1.40 -0.21 -1.26 -1.82 119.66 119.86 3f0e s GLN 13 Ca -0.13 1.62 -0.18 0.00 0.02 0.00 0.00 55.36 56.68 3f0e s GLN 13 Cb -0.08 -2.59 -0.01 0.00 1.00 0.00 0.00 33.01 31.33 3f0e s GLN 13 CO -0.02 -0.20 0.53 -0.51 -2.12 0.00 0.00 175.29 172.97 3f0e s LEU 14 N -2.59 4.20 0.13 2.90 1.43 -0.52 -1.41 118.68 122.82 3f0e s LEU 14 Ca 0.57 0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 3f0e s LEU 14 Cb -0.25 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3f0e s LEU 14 CO 0.31 -0.42 -0.19 0.68 0.23 0.00 0.00 176.35 176.97 3f0e s VAL 15 N 2.41 1.72 0.59 -1.59 -7.23 0.10 -4.87 120.40 111.55 3f0e s VAL 15 Ca 0.21 -1.74 -0.19 0.00 -1.81 0.00 0.00 61.98 58.45 3f0e s VAL 15 Cb -0.15 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 3f0e s VAL 15 CO 0.12 -0.22 1.21 -2.84 -0.31 0.00 0.00 175.10 173.06 3f0e s PRO 16 N -2.41 2.97 -0.03 4.82 0.02 -1.26 -0.51 135.00 138.60 3f0e s PRO 16 Ca 0.11 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3f0e s PRO 16 Cb -0.07 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3f0e s PRO 16 CO 0.05 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 3f0e n GLY 17 N 0.50 0.39 3.09 0.52 0.00 -1.26 -4.84 105.19 103.59 3f0e n GLY 17 Ca 0.14 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 3f0e n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f0e s ARG 18 N -2.59 0.99 0.43 1.61 1.81 -1.25 -4.99 118.95 114.96 3f0e s ARG 18 Ca 0.00 -0.52 -0.23 0.00 -1.72 0.00 0.00 55.73 53.27 3f0e s ARG 18 Cb 0.00 -0.96 -0.09 0.00 -0.45 0.00 0.00 34.95 33.45 3f0e s ARG 18 CO 0.00 0.26 1.07 -1.25 -0.68 0.00 0.00 175.30 174.70 3f0e s PRO 19 N -0.49 3.99 -0.52 3.54 0.04 -1.26 -1.84 135.00 138.46 3f0e s PRO 19 Ca 0.04 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 3f0e s PRO 19 Cb -0.06 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 32.13 3f0e s PRO 19 CO -0.00 -0.30 0.84 -1.17 0.04 0.00 0.00 177.00 176.41 3f0e s LEU 20 N -2.94 4.34 -0.23 -3.56 2.96 -1.25 -3.99 118.68 114.00 3f0e s LEU 20 Ca 0.61 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3f0e s LEU 20 Cb -0.22 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.75 3f0e s LEU 20 CO 0.27 -1.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.47 3f0e s ILE 21 N 3.51 2.44 -0.06 6.68 1.01 -1.26 -0.13 121.20 133.38 3f0e s ILE 21 Ca 0.27 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3f0e s ILE 21 Cb -0.14 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.10 3f0e s ILE 21 CO 0.18 0.21 -0.06 -0.63 0.00 0.00 0.00 174.94 174.64 3f0e s ILE 22 N 1.24 0.70 -1.60 2.92 1.01 -0.50 -4.30 121.20 120.68 3f0e s ILE 22 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3f0e s ILE 22 Cb -0.17 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3f0e s ILE 22 CO -0.07 0.28 0.11 0.61 0.00 0.00 0.00 174.94 175.87 3f0e n GLY 23 N 4.33 -0.42 3.05 6.18 0.00 -1.26 -1.66 105.19 115.40 3f0e n GLY 23 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3f0e n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f0e n GLY 24 N -1.11 0.87 3.64 -0.02 0.00 -1.26 -4.28 105.19 103.03 3f0e n GLY 24 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3f0e n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f0e s VAL 25 N -3.57 5.28 -0.26 1.61 1.01 -0.67 -5.05 120.40 118.75 3f0e s VAL 25 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 3f0e s VAL 25 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.79 3f0e s VAL 25 CO 0.00 0.27 1.06 -0.89 0.00 0.00 0.00 175.10 175.54 3f0e s THR 26 N 1.43 4.60 -0.16 3.92 2.01 -1.26 -1.41 115.64 124.76 3f0e s THR 26 Ca 0.12 1.90 -0.03 0.00 0.31 0.00 0.00 61.69 63.98 3f0e s THR 26 Cb -0.15 -4.34 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 3f0e s THR 26 CO 0.07 -0.29 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.03 3f0e s ILE 27 N 3.39 3.67 -0.11 1.82 1.01 0.81 -5.01 121.20 126.78 3f0e s ILE 27 Ca 0.45 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3f0e s ILE 27 Cb -0.14 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 3f0e s ILE 27 CO 0.10 0.48 2.09 -2.65 0.00 0.00 0.00 174.94 174.96 3f0e n PRO 28 N 3.77 2.28 -3.51 2.79 -0.02 -1.26 -4.04 135.00 135.01 3f0e n PRO 28 Ca -0.18 0.75 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3f0e n PRO 28 Cb 0.52 -3.04 -0.05 0.00 -0.02 0.00 0.00 33.50 30.91 3f0e n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3f0e s TYR 29 N 6.33 -0.60 0.21 6.00 5.04 -1.26 -4.98 117.35 128.09 3f0e s TYR 29 Ca 0.96 0.91 0.32 0.00 -2.44 0.00 0.00 57.07 56.82 3f0e s TYR 29 Cb -0.45 0.45 1.39 0.00 0.35 0.00 0.00 41.96 43.70 3f0e s TYR 29 CO 0.41 -0.63 2.00 1.05 -1.34 0.00 0.00 175.55 177.04 3f0e h GLU 30 N 2.74 0.00 -5.13 4.97 9.09 -1.92 -3.45 114.58 120.88 3f0e h GLU 30 Ca -0.27 0.00 -0.42 0.00 0.05 0.00 0.00 59.36 58.72 3f0e h GLU 30 Cb 1.18 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.14 3f0e h GLU 30 CO 0.38 0.07 -0.63 1.03 0.05 0.00 0.00 179.01 179.91 3f0e s ARG 31 N -3.79 1.49 0.26 1.06 0.52 -1.26 -4.21 118.95 113.01 3f0e s ARG 31 Ca -0.00 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.42 3f0e s ARG 31 Cb 0.10 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.86 3f0e s ARG 31 CO 0.56 -0.16 0.24 0.20 0.02 0.00 0.00 175.30 176.15 3f0e s GLY 32 N -3.39 1.64 0.11 -3.53 0.00 0.34 -3.88 107.32 98.62 3f0e s GLY 32 Ca 0.34 -1.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.05 3f0e s GLY 32 CO 0.13 -1.32 0.87 1.08 0.00 0.00 0.00 173.10 173.85 3f0e s LEU 33 N -3.22 4.52 -0.15 0.66 1.43 -1.26 0.01 118.68 120.67 3f0e s LEU 33 Ca 0.37 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 3f0e s LEU 33 Cb 0.04 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 3f0e s LEU 33 CO 0.17 0.03 0.29 -0.22 0.23 0.00 0.00 176.35 176.86 3f0e s LEU 34 N -0.35 4.25 0.00 1.79 2.96 -0.50 -4.68 118.68 122.15 3f0e s LEU 34 Ca 0.42 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 3f0e s LEU 34 Cb -0.23 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.09 3f0e s LEU 34 CO 0.27 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 3f0e n GLY 35 N 3.30 -2.42 0.00 7.98 0.00 -1.26 -4.37 105.19 108.42 3f0e n GLY 35 Ca -0.12 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3f0e n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f0e n ASP 38 N -0.63 0.00 -3.44 1.61 5.68 -1.26 -5.12 116.55 113.39 3f0e n ASP 38 Ca 0.00 0.14 -0.24 0.00 -0.50 0.00 0.00 54.79 54.19 3f0e n ASP 38 Cb 0.00 -0.14 0.06 0.00 -1.14 0.00 0.00 41.12 39.90 3f0e n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f0e n ALA 39 N -1.03 -1.21 -2.08 2.12 0.00 -1.26 -4.78 120.51 112.27 3f0e n ALA 39 Ca 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 3f0e n ALA 39 Cb 0.11 -4.99 -0.04 0.00 0.00 0.00 0.00 19.45 14.53 3f0e n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f0e s ASP 40 N -3.13 5.27 0.26 0.00 -1.08 -1.26 -4.81 116.67 111.92 3f0e s ASP 40 Ca 0.51 -0.32 -0.02 0.00 -0.52 0.00 0.00 52.55 52.20 3f0e s ASP 40 Cb -0.23 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.15 3f0e s ASP 40 CO 0.63 -2.54 1.82 1.62 0.52 0.00 0.00 175.17 177.23 3f0e h VAL 41 N 7.07 0.92 -0.07 1.11 3.04 -1.90 -0.80 116.25 125.62 3f0e h VAL 41 Ca -0.04 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 3f0e h VAL 41 Cb 1.07 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3f0e h VAL 41 CO 1.22 0.16 -0.02 0.25 -1.01 0.00 0.00 177.57 178.18 3f0e h LEU 42 N 0.90 0.13 -0.95 3.16 5.85 -1.91 -1.62 115.31 120.88 3f0e h LEU 42 Ca 0.44 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3f0e h LEU 42 Cb 0.41 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3f0e h LEU 42 CO -0.25 0.48 0.19 -0.07 -0.34 0.00 0.00 178.44 178.44 3f0e h LEU 43 N -0.22 0.89 -0.39 2.25 3.38 -1.85 -1.23 115.31 118.13 3f0e h LEU 43 Ca 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3f0e h LEU 43 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3f0e h LEU 43 CO 0.01 0.84 0.23 0.45 0.09 0.00 0.00 178.44 180.05 3f0e h HIS 44 N 0.92 0.53 -0.78 1.13 3.86 -1.10 0.72 115.15 120.42 3f0e h HIS 44 Ca 0.20 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 3f0e h HIS 44 Cb 0.27 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3f0e h HIS 44 CO 0.02 0.40 0.29 0.00 0.86 0.00 0.00 177.93 179.49 3f0e h ALA 45 N 1.09 1.03 -0.38 2.45 0.00 -0.89 -1.21 119.26 121.34 3f0e h ALA 45 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3f0e h ALA 45 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3f0e h ALA 45 CO -0.02 0.67 -0.05 0.82 0.00 0.00 0.00 179.25 180.67 3f0e h ILE 46 N 1.15 1.27 -0.21 0.00 2.04 -1.02 -2.06 117.51 118.68 3f0e h ILE 46 Ca 0.26 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.07 3f0e h ILE 46 Cb 0.25 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3f0e h ILE 46 CO -0.02 0.36 -0.04 0.74 0.00 0.00 0.00 178.15 179.20 3f0e h THR 47 N 0.52 0.80 -0.87 -0.27 2.02 -0.61 -1.01 112.91 113.49 3f0e h THR 47 Ca 0.10 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3f0e h THR 47 Cb 0.54 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3f0e h THR 47 CO 0.03 0.00 0.45 0.44 0.37 0.00 0.00 175.52 176.81 3f0e h ASP 48 N 0.01 1.12 -0.76 4.18 3.32 -1.20 -0.17 116.42 122.92 3f0e h ASP 48 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3f0e h ASP 48 Cb 0.15 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3f0e h ASP 48 CO -0.21 0.92 0.41 0.00 -1.72 0.00 0.00 179.24 178.65 3f0e h ALA 49 N 1.24 1.27 -0.14 3.45 0.00 -1.00 0.15 119.26 124.23 3f0e h ALA 49 Ca 0.30 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3f0e h ALA 49 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3f0e h ALA 49 CO -0.04 0.59 -0.29 -0.07 0.00 0.00 0.00 179.25 179.43 3f0e h LEU 50 N 1.08 0.50 -1.34 0.00 3.38 -0.74 -1.00 115.31 117.20 3f0e h LEU 50 Ca 0.27 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3f0e h LEU 50 Cb 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3f0e h LEU 50 CO -0.04 0.97 0.46 -0.26 0.09 0.00 0.00 178.44 179.66 3f0e h PHE 51 N 0.05 0.84 -0.21 1.13 0.04 -0.90 -2.21 116.94 115.68 3f0e h PHE 51 Ca 0.00 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3f0e h PHE 51 Cb 0.89 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 3f0e h PHE 51 CO 0.10 0.51 -0.15 0.78 -0.60 0.00 0.00 178.31 178.95 3f0e h GLY 52 N 0.89 0.52 1.02 -1.45 0.00 -0.57 0.33 103.07 103.80 3f0e h GLY 52 Ca 0.27 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.12 3f0e h GLY 52 CO -0.07 0.45 0.62 0.00 0.00 0.00 0.00 176.54 177.54 3f0e h ALA 53 N 0.68 1.37 -0.07 3.60 0.00 -1.02 -1.79 119.26 122.02 3f0e h ALA 53 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f0e h ALA 53 Cb 0.68 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3f0e h ALA 53 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3f0e n ALA 54 N -2.39 2.57 -3.84 0.00 0.00 -0.85 -4.63 120.51 111.37 3f0e n ALA 54 Ca 0.12 -0.39 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 3f0e n ALA 54 Cb 0.06 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.32 3f0e n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f0e n ALA 55 N -0.09 -1.66 -0.53 0.00 0.00 -0.67 -4.91 120.51 112.64 3f0e n ALA 55 Ca 0.18 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.69 3f0e n ALA 55 Cb 0.26 -3.08 0.27 0.00 0.00 0.00 0.00 19.45 16.90 3f0e n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3f0e n LEU 56 N -4.48 3.90 0.00 0.00 4.77 0.11 -5.02 117.00 116.29 3f0e n LEU 56 Ca -0.14 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 3f0e n LEU 56 Cb 0.60 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3f0e n LEU 56 CO 0.73 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 3f0e n GLY 57 N 0.62 1.11 3.77 -0.72 0.00 -1.25 -4.96 105.19 103.76 3f0e n GLY 57 Ca 0.20 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 3f0e n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f0e s ASP 58 N -4.00 -0.13 0.23 1.61 1.47 -1.26 -4.07 116.67 110.52 3f0e s ASP 58 Ca 0.00 -0.81 -0.07 0.00 1.18 0.00 0.00 52.55 52.85 3f0e s ASP 58 Cb 0.00 0.71 0.37 0.00 -0.34 0.00 0.00 42.92 43.66 3f0e s ASP 58 CO 0.00 -1.35 1.75 0.40 0.68 0.00 0.00 175.17 176.65 3f0e h ILE 59 N 2.07 0.75 -0.96 2.11 2.04 -1.93 -2.03 117.51 119.56 3f0e h ILE 59 Ca -0.23 -0.17 0.14 0.00 1.00 0.00 0.00 64.86 65.60 3f0e h ILE 59 Cb 1.25 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 3f0e h ILE 59 CO 0.29 0.09 0.58 1.23 0.00 0.00 0.00 178.15 180.34 3f0e h GLY 60 N 0.49 1.61 1.96 5.37 0.00 -1.97 0.24 103.07 110.77 3f0e h GLY 60 Ca 0.36 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 3f0e h GLY 60 CO -0.33 0.06 -0.52 0.07 0.00 0.00 0.00 176.54 175.82 3f0e h ARG 61 N 0.85 0.00 0.08 4.80 -0.00 -1.86 -3.37 114.38 114.88 3f0e h ARG 61 Ca 0.51 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 60.12 3f0e h ARG 61 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.57 3f0e h ARG 61 CO -0.32 0.47 -2.07 0.72 -0.00 0.00 0.00 179.97 178.77 3f0e n HIS 62 N -3.21 0.95 -2.32 4.08 -0.00 -0.28 -5.01 115.22 109.43 3f0e n HIS 62 Ca 0.02 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 3f0e n HIS 62 Cb 0.73 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.59 3f0e n HIS 62 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3f0e n PHE 63 N -3.37 0.00 -0.55 4.41 3.72 0.69 -5.09 117.46 117.28 3f0e n PHE 63 Ca -0.33 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 56.84 3f0e n PHE 63 Cb 1.04 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.75 3f0e n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3f0e n ASP 74 N 0.00 -2.94 0.26 4.37 5.68 -1.26 -4.61 116.55 118.05 3f0e n ASP 74 Ca 0.00 -0.35 0.15 0.00 -0.50 0.00 0.00 54.79 54.09 3f0e n ASP 74 Cb 0.00 -0.83 0.61 0.00 -1.14 0.00 0.00 41.12 39.77 3f0e n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3f0e h SER 75 N -2.58 0.00 -0.16 -1.12 0.02 -1.96 -2.85 113.55 104.91 3f0e h SER 75 Ca -0.34 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.43 3f0e h SER 75 Cb 0.98 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.52 3f0e h SER 75 CO 0.22 0.07 -0.63 0.03 -1.14 0.00 0.00 176.83 175.38 3f0e h ARG 76 N 0.00 0.70 -1.00 3.45 3.08 -1.98 -1.46 114.38 117.17 3f0e h ARG 76 Ca -0.00 -0.55 0.04 0.00 0.07 0.00 0.00 59.98 59.54 3f0e h ARG 76 Cb 0.58 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 3f0e h ARG 76 CO 0.01 1.16 0.66 0.00 -1.07 0.00 0.00 179.97 180.73 3f0e h ALA 77 N 0.54 1.34 -0.21 0.04 0.00 -1.94 0.21 119.26 119.24 3f0e h ALA 77 Ca -0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3f0e h ALA 77 Cb 1.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3f0e h ALA 77 CO 0.13 0.56 -0.49 -0.07 0.00 0.00 0.00 179.25 179.39 3f0e h LEU 78 N 1.28 0.62 -0.40 0.00 3.38 -1.47 -1.01 115.31 117.70 3f0e h LEU 78 Ca 0.40 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3f0e h LEU 78 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3f0e h LEU 78 CO -0.12 1.00 -0.16 0.25 0.09 0.00 0.00 178.44 179.50 3f0e h LEU 79 N 0.45 0.83 -0.96 1.67 5.85 -0.80 0.23 115.31 122.58 3f0e h LEU 79 Ca 0.02 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3f0e h LEU 79 Cb 1.02 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3f0e h LEU 79 CO 0.09 1.04 0.63 0.03 -0.34 0.00 0.00 178.44 179.89 3f0e h ARG 80 N 0.62 1.19 -0.34 1.25 3.08 -0.84 0.39 114.38 119.72 3f0e h ARG 80 Ca 0.09 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 3f0e h ARG 80 Cb 0.71 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3f0e h ARG 80 CO 0.05 0.79 -0.17 1.49 -1.07 0.00 0.00 179.97 181.06 3f0e h GLU 81 N 1.22 0.72 -0.09 0.04 4.57 -0.94 -1.49 114.58 118.60 3f0e h GLU 81 Ca 0.38 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3f0e h GLU 81 Cb -0.01 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 3f0e h GLU 81 CO -0.12 0.92 -0.26 0.00 -1.18 0.00 0.00 179.01 178.37 3f0e h ALA 83 N 0.53 1.83 -0.13 0.00 0.00 -0.87 -0.20 119.26 120.43 3f0e h ALA 83 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3f0e h ALA 83 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3f0e h ALA 83 CO -0.29 -0.01 0.05 1.03 0.00 0.00 0.00 179.25 180.03 3f0e h SER 84 N 0.66 0.18 0.23 0.00 0.87 -0.15 -1.78 113.55 113.57 3f0e h SER 84 Ca 0.37 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3f0e h SER 84 Cb 0.54 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3f0e h SER 84 CO -0.14 0.29 -0.35 0.03 -0.53 0.00 0.00 176.83 176.13 3f0e h ARG 85 N 0.06 0.18 -0.28 2.24 3.08 -0.22 0.12 114.38 119.56 3f0e h ARG 85 Ca 0.04 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3f0e h ARG 85 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3f0e h ARG 85 CO -0.00 0.51 0.06 0.28 -1.07 0.00 0.00 179.97 179.75 3f0e h VAL 86 N 0.16 1.22 -0.82 2.04 2.07 -1.01 -2.51 116.25 117.40 3f0e h VAL 86 Ca 0.02 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3f0e h VAL 86 Cb 0.70 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3f0e h VAL 86 CO 0.05 0.24 0.36 0.00 0.02 0.00 0.00 177.57 178.24 3f0e h ALA 87 N 0.88 1.10 -0.97 1.67 0.00 -0.97 -2.48 119.26 118.50 3f0e h ALA 87 Ca 0.09 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3f0e h ALA 87 Cb 0.30 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3f0e h ALA 87 CO 0.00 0.66 0.61 1.96 0.00 0.00 0.00 179.25 182.48 3f0e h GLN 88 N 1.17 0.77 -0.00 0.00 1.08 -0.56 -1.03 115.11 116.54 3f0e h GLN 88 Ca 0.28 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3f0e h GLN 88 Cb 0.16 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3f0e h GLN 88 CO -0.03 0.51 -0.00 0.00 -0.95 0.00 0.00 178.83 178.36 3f0e n ALA 89 N -2.38 2.67 -0.24 3.87 0.00 -0.97 -4.89 120.51 118.57 3f0e n ALA 89 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3f0e n ALA 89 Cb 0.48 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3f0e n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f0e n GLY 90 N 1.04 0.87 3.81 0.00 0.00 -0.39 -5.08 105.19 105.43 3f0e n GLY 90 Ca 0.23 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3f0e n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f0e s PHE 91 N -2.00 3.42 -0.07 1.61 0.08 -0.96 -4.42 117.98 115.65 3f0e s PHE 91 Ca 0.00 0.38 -0.01 0.00 0.12 0.00 0.00 56.93 57.42 3f0e s PHE 91 Cb 0.00 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3f0e s PHE 91 CO 0.00 0.63 0.00 0.00 -0.10 0.00 0.00 175.22 175.75 3f0e s ALA 92 N -1.00 3.29 -0.03 5.36 0.00 0.32 -3.73 121.76 125.96 3f0e s ALA 92 Ca 0.15 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 3f0e s ALA 92 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3f0e s ALA 92 CO 0.05 0.60 0.78 0.42 0.00 0.00 0.00 175.76 177.61 3f0e s ILE 93 N -0.93 4.95 -0.26 0.00 1.01 -1.26 -0.82 121.20 123.89 3f0e s ILE 93 Ca 0.15 1.64 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 3f0e s ILE 93 Cb -0.11 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 38.08 3f0e s ILE 93 CO 0.04 0.24 -0.23 0.54 0.00 0.00 0.00 174.94 175.54 3f0e n ARG 94 N 3.67 0.62 -3.56 2.79 5.12 0.55 -4.96 116.66 120.88 3f0e n ARG 94 Ca 0.01 0.25 -0.11 0.00 -1.93 0.00 0.00 57.85 56.07 3f0e n ARG 94 Cb 0.51 -1.53 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 3f0e n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3f0e s ASN 95 N -7.10 -0.44 -0.02 0.55 4.22 -1.11 -4.83 114.94 106.21 3f0e s ASN 95 Ca -0.36 -0.21 0.03 0.00 -2.14 0.00 0.00 52.86 50.18 3f0e s ASN 95 Cb 0.12 0.61 -0.00 0.00 1.28 0.00 0.00 41.25 43.25 3f0e s ASN 95 CO 0.55 -1.03 -0.09 -0.69 -2.04 0.00 0.00 177.10 173.80 3f0e s VAL 96 N -3.80 0.76 0.10 3.54 1.01 -0.28 -1.71 120.40 120.02 3f0e s VAL 96 Ca 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3f0e s VAL 96 Cb -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3f0e s VAL 96 CO -0.08 0.23 -0.14 -0.62 0.00 0.00 0.00 175.10 174.49 3f0e s ASP 97 N 0.06 1.88 0.22 3.32 2.15 -0.40 -1.53 116.67 122.37 3f0e s ASP 97 Ca -0.01 -0.74 -0.20 0.00 0.43 0.00 0.00 52.55 52.03 3f0e s ASP 97 Cb -0.07 -0.06 0.03 0.00 -0.30 0.00 0.00 42.92 42.52 3f0e s ASP 97 CO 0.00 -0.12 0.62 -0.94 -0.17 0.00 0.00 175.17 174.56 3f0e s SER 98 N -2.20 -0.32 -0.01 -0.34 1.04 -0.71 -0.69 113.70 110.48 3f0e s SER 98 Ca 0.05 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3f0e s SER 98 Cb -0.07 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3f0e s SER 98 CO 0.03 -1.16 0.01 -0.89 0.98 0.00 0.00 173.24 172.20 3f0e s THR 99 N -3.87 0.05 -0.16 2.02 2.01 -0.29 -1.55 115.64 113.85 3f0e s THR 99 Ca 0.09 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 3f0e s THR 99 Cb -0.03 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 3f0e s THR 99 CO -0.00 0.07 0.04 -0.63 -0.69 0.00 0.00 174.62 173.40 3f0e s ILE 100 N 0.56 4.59 -0.34 1.82 1.01 0.12 -0.96 121.20 128.00 3f0e s ILE 100 Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 3f0e s ILE 100 Cb -0.07 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.42 3f0e s ILE 100 CO -0.01 0.50 0.09 -0.63 0.00 0.00 0.00 174.94 174.88 3f0e s ILE 101 N 0.12 3.41 -0.05 2.92 1.01 0.70 -0.52 121.20 128.79 3f0e s ILE 101 Ca 0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 60.65 59.26 3f0e s ILE 101 Cb -0.13 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.36 3f0e s ILE 101 CO 0.01 -0.25 0.11 0.00 0.00 0.00 0.00 174.94 174.81 3f0e s ALA 102 N 1.30 -0.19 0.19 9.38 0.00 -0.15 -2.14 121.76 130.15 3f0e s ALA 102 Ca -0.01 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.50 3f0e s ALA 102 Cb -0.20 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.66 3f0e s ALA 102 CO 0.00 -0.12 1.45 0.37 0.00 0.00 0.00 175.76 177.45 3f0e h GLN 103 N 6.98 0.21 -2.55 0.00 5.75 -1.82 -3.34 115.11 120.34 3f0e h GLN 103 Ca -0.40 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 57.82 3f0e h GLN 103 Cb 1.15 0.05 -0.21 0.00 1.07 0.00 0.00 27.48 29.53 3f0e h GLN 103 CO 0.44 0.88 -0.10 0.00 -2.65 0.00 0.00 178.83 177.40 3f0e s ALA 104 N -3.41 -1.23 0.74 3.38 0.00 -1.26 -4.82 121.76 115.16 3f0e s ALA 104 Ca -0.03 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 3f0e s ALA 104 Cb 0.11 -0.37 0.10 0.00 0.00 0.00 0.00 23.12 22.96 3f0e s ALA 104 CO 0.82 -0.27 0.68 -0.35 0.00 0.00 0.00 175.76 176.63 3f0e n PRO 105 N 1.92 -0.16 -1.89 0.00 -0.04 -1.26 -5.05 135.00 128.52 3f0e n PRO 105 Ca -0.17 -1.52 -0.42 0.00 -0.04 0.00 0.00 63.50 61.35 3f0e n PRO 105 Cb 0.56 -0.55 -0.03 0.00 -0.04 0.00 0.00 33.50 33.44 3f0e n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3f0e s LYS 106 N -4.29 4.20 -0.02 0.54 -0.14 -1.26 -4.92 119.74 113.84 3f0e s LYS 106 Ca 0.42 2.41 0.18 0.00 -1.36 0.00 0.00 55.97 57.63 3f0e s LYS 106 Cb -0.02 -3.18 -0.28 0.00 -1.68 0.00 0.00 37.83 32.67 3f0e s LYS 106 CO 0.29 -0.65 0.43 1.28 -0.76 0.00 0.00 175.35 175.94 3f0e n LEU 107 N 4.14 0.07 -0.35 3.17 4.77 -1.26 -4.62 117.00 122.91 3f0e n LEU 107 Ca 0.14 -0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3f0e n LEU 107 Cb 0.38 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.56 3f0e n LEU 107 CO 0.62 0.02 0.64 0.00 -1.33 0.00 0.00 177.39 177.33 3f0e h ALA 108 N 1.75 0.42 0.00 -1.18 0.00 -1.97 -0.29 119.26 117.98 3f0e h ALA 108 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3f0e h ALA 108 Cb 0.80 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3f0e h ALA 108 CO 0.00 -0.49 0.00 -0.35 0.00 0.00 0.00 179.25 178.41 3f0e n PRO 109 N -5.55 0.27 -0.00 0.00 -0.05 -1.26 -2.99 135.00 125.42 3f0e n PRO 109 Ca 0.13 0.10 0.05 0.00 -0.05 0.00 0.00 63.50 63.73 3f0e n PRO 109 Cb 0.44 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.33 3f0e n PRO 109 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3f0e n HIS 110 N -1.31 0.00 0.03 0.54 8.25 -0.15 -4.68 115.22 117.91 3f0e n HIS 110 Ca 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 3f0e n HIS 110 Cb 0.17 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3f0e n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3f0e h ILE 111 N 0.00 0.69 -0.93 1.59 2.04 -1.38 -2.40 117.51 117.12 3f0e h ILE 111 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3f0e h ILE 111 Cb 0.28 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3f0e h ILE 111 CO 0.00 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.19 3f0e h ASP 112 N -0.17 0.92 -0.34 1.72 3.32 -1.83 -0.72 116.42 119.31 3f0e h ASP 112 Ca 0.06 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3f0e h ASP 112 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3f0e h ASP 112 CO -0.15 0.57 0.02 0.00 -1.72 0.00 0.00 179.24 177.96 3f0e h ALA 113 N 1.51 0.46 -0.20 3.45 0.00 -1.82 -1.22 119.26 121.44 3f0e h ALA 113 Ca 0.41 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3f0e h ALA 113 Cb 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3f0e h ALA 113 CO -0.16 0.20 -0.15 0.52 0.00 0.00 0.00 179.25 179.65 3f0e h MET 114 N 0.40 -0.15 -0.62 0.00 2.86 -0.82 0.92 114.93 117.52 3f0e h MET 114 Ca 0.10 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 3f0e h MET 114 Cb 0.42 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 3f0e h MET 114 CO 0.01 -0.10 0.27 -0.09 1.06 0.00 0.00 176.91 178.07 3f0e h ARG 115 N -0.16 0.47 -0.57 1.72 2.43 -1.09 0.09 114.38 117.28 3f0e h ARG 115 Ca 0.12 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3f0e h ARG 115 Cb 0.33 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3f0e h ARG 115 CO -0.29 0.31 0.25 0.00 -1.51 0.00 0.00 179.97 178.73 3f0e h ALA 116 N 1.40 0.74 -0.20 2.80 0.00 -0.57 -0.25 119.26 123.17 3f0e h ALA 116 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3f0e h ALA 116 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3f0e h ALA 116 CO -0.27 0.33 0.12 -0.91 0.00 0.00 0.00 179.25 178.52 3f0e h ASN 117 N 0.78 0.24 -0.16 0.00 2.35 -0.27 -1.86 115.58 116.66 3f0e h ASN 117 Ca 0.19 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3f0e h ASN 117 Cb 0.16 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3f0e h ASN 117 CO -0.02 0.23 0.07 0.40 -1.65 0.00 0.00 177.43 176.46 3f0e h ILE 118 N 0.23 1.15 -0.81 2.81 2.04 -0.84 -0.83 117.51 121.27 3f0e h ILE 118 Ca 0.07 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.52 3f0e h ILE 118 Cb 0.03 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3f0e h ILE 118 CO -0.01 0.14 0.53 0.00 0.00 0.00 0.00 178.15 178.81 3f0e h ALA 119 N 0.92 1.48 -0.08 1.87 0.00 -1.01 -0.31 119.26 122.13 3f0e h ALA 119 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3f0e h ALA 119 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3f0e h ALA 119 CO -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 179.65 3f0e h ALA 120 N 1.52 0.11 0.00 0.00 0.00 -1.17 0.19 119.26 119.91 3f0e h ALA 120 Ca 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3f0e h ALA 120 Cb -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3f0e h ALA 120 CO -0.08 -0.12 -0.16 -0.44 0.00 0.00 0.00 179.25 178.44 3f0e h ASP 121 N -0.22 0.00 -0.18 0.00 3.32 -0.74 -2.70 116.42 115.89 3f0e h ASP 121 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3f0e h ASP 121 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3f0e h ASP 121 CO 0.01 0.16 0.00 0.18 -1.72 0.00 0.00 179.24 177.88 3f0e n LEU 122 N -4.27 3.21 -3.70 1.55 4.77 -0.16 -4.47 117.00 113.92 3f0e n LEU 122 Ca -0.02 -1.21 -0.23 0.00 -0.03 0.00 0.00 56.01 54.52 3f0e n LEU 122 Cb 0.23 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3f0e n LEU 122 CO 0.36 0.60 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.26 3f0e n ASP 123 N 1.42 -2.09 -4.31 -1.43 2.03 -0.85 -4.99 116.55 106.34 3f0e n ASP 123 Ca 0.16 -0.87 -0.23 0.00 0.52 0.00 0.00 54.79 54.37 3f0e n ASP 123 Cb 0.61 -3.89 -0.12 0.00 -0.72 0.00 0.00 41.12 37.00 3f0e n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3f0e s LEU 124 N -6.59 2.35 0.54 -2.67 1.43 0.61 -5.04 118.68 109.31 3f0e s LEU 124 Ca 0.11 -0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 3f0e s LEU 124 Cb -0.03 -0.87 -0.06 0.00 0.03 0.00 0.00 46.19 45.26 3f0e s LEU 124 CO 0.83 0.03 1.13 -2.16 0.23 0.00 0.00 176.35 176.40 3f0e s PRO 125 N -2.24 3.35 0.61 1.29 0.04 -1.26 -4.43 135.00 132.37 3f0e s PRO 125 Ca 0.10 1.62 0.28 0.00 0.04 0.00 0.00 61.00 63.04 3f0e s PRO 125 Cb -0.08 -2.01 1.45 0.00 0.04 0.00 0.00 34.50 33.90 3f0e s PRO 125 CO 0.05 -0.85 1.85 -0.07 0.04 0.00 0.00 177.00 178.02 3f0e h LEU 126 N 1.20 0.00 -2.00 -3.56 3.38 -1.92 -0.59 115.31 111.82 3f0e h LEU 126 Ca -0.50 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.63 3f0e h LEU 126 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3f0e h LEU 126 CO 0.57 0.00 0.45 -0.78 0.09 0.00 0.00 178.44 178.77 3f0e h ASP 127 N 0.00 0.00 -0.05 -0.43 3.58 -2.00 -2.98 116.42 114.54 3f0e h ASP 127 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3f0e h ASP 127 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3f0e h ASP 127 CO -0.00 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.90 3f0e n ARG 128 N -4.07 1.81 -4.43 0.28 1.74 -0.23 -4.97 116.66 106.79 3f0e n ARG 128 Ca 0.10 -2.45 -0.24 0.00 -0.77 0.00 0.00 57.85 54.49 3f0e n ARG 128 Cb 0.67 -1.47 -0.17 0.00 -1.02 0.00 0.00 32.46 30.47 3f0e n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f0e s VAL 129 N -2.55 1.03 -0.03 1.55 1.01 -1.13 -1.13 120.40 119.16 3f0e s VAL 129 Ca 0.29 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3f0e s VAL 129 Cb 0.24 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3f0e s VAL 129 CO 0.04 0.34 -0.05 0.21 0.00 0.00 0.00 175.10 175.63 3f0e s ASN 130 N 0.83 0.83 -0.08 3.32 2.47 -0.58 -4.97 114.94 116.77 3f0e s ASN 130 Ca -0.12 -0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.07 3f0e s ASN 130 Cb -0.15 -0.29 0.01 0.00 -1.45 0.00 0.00 41.25 39.37 3f0e s ASN 130 CO 0.02 0.00 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.57 3f0e s VAL 131 N 0.47 1.27 0.05 -5.21 1.01 -1.26 -1.73 120.40 115.00 3f0e s VAL 131 Ca -0.06 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.47 3f0e s VAL 131 Cb -0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3f0e s VAL 131 CO -0.00 0.39 -0.25 -0.54 0.00 0.00 0.00 175.10 174.70 3f0e s LYS 132 N 0.75 1.68 -0.03 2.72 1.02 -0.59 -4.98 119.74 120.30 3f0e s LYS 132 Ca -0.13 -1.10 0.07 0.00 0.02 0.00 0.00 55.97 54.84 3f0e s LYS 132 Cb -0.16 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3f0e s LYS 132 CO 0.03 0.48 -0.24 0.00 -0.92 0.00 0.00 175.35 174.69 3f0e s ALA 133 N -0.83 2.05 0.02 5.17 0.00 -1.26 0.16 121.76 127.07 3f0e s ALA 133 Ca 0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 3f0e s ALA 133 Cb -0.10 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3f0e s ALA 133 CO 0.02 0.47 0.02 0.15 0.00 0.00 0.00 175.76 176.43 3f0e s LYS 134 N -0.46 0.43 0.58 0.00 -0.14 0.32 -4.94 119.74 115.53 3f0e s LYS 134 Ca 0.06 -0.68 -0.00 0.00 -1.36 0.00 0.00 55.97 53.99 3f0e s LYS 134 Cb -0.11 0.16 0.12 0.00 -1.68 0.00 0.00 37.83 36.32 3f0e s LYS 134 CO 0.00 -0.09 0.79 0.25 -0.76 0.00 0.00 175.35 175.55 3f0e n THR 135 N 1.23 0.00 -1.39 2.17 -2.24 -1.25 -0.98 114.28 111.81 3f0e n THR 135 Ca -0.22 -1.23 0.01 0.00 -2.27 0.00 0.00 64.05 60.34 3f0e n THR 135 Cb 0.56 -1.01 0.20 0.00 -2.10 0.00 0.00 70.33 67.99 3f0e n THR 135 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3f0e n ASN 136 N -2.94 2.48 -4.05 3.42 5.15 -1.26 -4.76 115.26 113.30 3f0e n ASN 136 Ca 0.13 -3.64 -0.34 0.00 -0.60 0.00 0.00 54.58 50.13 3f0e n ASN 136 Cb 0.47 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 39.11 3f0e n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3f0e n GLU 137 N -1.07 -3.33 -1.82 1.20 -0.58 -1.26 -0.70 120.64 113.07 3f0e n GLU 137 Ca 0.27 0.39 -0.20 0.00 -0.42 0.00 0.00 57.16 57.21 3f0e n GLU 137 Cb 0.91 -5.13 -0.06 0.00 -0.57 0.00 0.00 31.44 26.58 3f0e n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3f0e n LYS 138 N -4.27 -1.53 -3.76 3.49 5.02 -1.26 -4.98 118.16 110.87 3f0e n LYS 138 Ca 0.06 1.12 -0.36 0.00 -2.02 0.00 0.00 58.31 57.11 3f0e n LYS 138 Cb 0.50 -5.57 -0.07 0.00 -0.02 0.00 0.00 35.03 29.87 3f0e n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f0e s LEU 139 N -5.03 4.32 0.00 -0.35 1.43 0.12 -4.59 118.68 114.58 3f0e s LEU 139 Ca 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3f0e s LEU 139 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3f0e s LEU 139 CO 0.00 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3f0e n GLY 140 N 2.62 -0.62 0.34 -3.19 0.00 -1.26 -1.04 105.19 102.02 3f0e n GLY 140 Ca -0.17 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 44.89 3f0e n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3f0e h TYR 141 N 0.00 0.69 -0.30 1.61 -0.00 -1.97 -0.84 116.97 116.16 3f0e h TYR 141 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.72 3f0e h TYR 141 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 36.49 3f0e h TYR 141 CO 0.00 0.41 0.08 -0.07 -0.00 0.00 0.00 178.16 178.58 3f0e h LEU 142 N 0.72 0.44 -1.56 0.10 3.38 -1.82 0.60 115.31 117.18 3f0e h LEU 142 Ca 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3f0e h LEU 142 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3f0e h LEU 142 CO -0.06 0.55 0.22 1.23 0.09 0.00 0.00 178.44 180.46 3f0e h GLY 143 N 0.32 0.55 0.05 0.83 0.00 -0.09 -1.51 103.07 103.21 3f0e h GLY 143 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3f0e h GLY 143 CO -0.00 0.22 0.00 0.54 0.00 0.00 0.00 176.54 177.30 3f0e n ARG 144 N -4.45 1.37 -2.40 4.80 1.74 -0.42 -4.47 116.66 112.83 3f0e n ARG 144 Ca 0.03 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.46 3f0e n ARG 144 Cb 0.09 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3f0e n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f0e n GLY 145 N 1.04 0.05 0.06 -0.13 0.00 -0.57 -4.93 105.19 100.70 3f0e n GLY 145 Ca 0.18 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.90 3f0e n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f0e n GLU 146 N -2.09 0.42 -3.89 1.61 1.02 0.17 -4.74 120.64 113.14 3f0e n GLU 146 Ca -0.08 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 3f0e n GLU 146 Cb 0.57 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 3f0e n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3f0e s GLY 147 N -3.95 0.38 -0.04 0.62 0.00 -1.24 -1.44 107.32 101.65 3f0e s GLY 147 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.04 3f0e s GLY 147 CO 0.80 -0.37 -0.09 -0.42 0.00 0.00 0.00 173.10 173.02 3f0e s ILE 148 N -3.18 0.83 -0.03 0.90 1.01 -0.75 -4.61 121.20 115.37 3f0e s ILE 148 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3f0e s ILE 148 Cb -0.04 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 3f0e s ILE 148 CO 0.11 0.27 -0.00 -0.70 0.00 0.00 0.00 174.94 174.62 3f0e s GLU 149 N 0.50 2.84 0.03 2.79 2.12 -0.91 -2.42 118.70 123.65 3f0e s GLU 149 Ca -0.09 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 54.76 3f0e s GLU 149 Cb -0.12 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 3f0e s GLU 149 CO 0.01 0.65 -0.19 0.00 -0.54 0.00 0.00 175.26 175.20 3f0e s ALA 150 N -1.01 1.57 0.07 6.30 0.00 0.04 -0.21 121.76 128.51 3f0e s ALA 150 Ca 0.17 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.26 3f0e s ALA 150 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3f0e s ALA 150 CO 0.07 0.35 -0.20 -0.65 0.00 0.00 0.00 175.76 175.33 3f0e s GLN 151 N -1.01 1.25 0.01 0.00 -0.21 -0.14 -1.22 119.66 118.35 3f0e s GLN 151 Ca 0.06 -1.01 -0.08 0.00 0.02 0.00 0.00 55.36 54.35 3f0e s GLN 151 Cb -0.08 -1.41 0.00 0.00 1.00 0.00 0.00 33.01 32.52 3f0e s GLN 151 CO 0.01 0.35 0.15 0.00 -2.12 0.00 0.00 175.29 173.68 3f0e s ALA 152 N -0.95 -0.32 -0.03 6.09 0.00 -0.21 -1.14 121.76 125.20 3f0e s ALA 152 Ca 0.06 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3f0e s ALA 152 Cb -0.09 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3f0e s ALA 152 CO 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 175.76 175.45 3f0e s ALA 153 N -1.67 0.89 -0.03 0.00 0.00 0.14 -0.39 121.76 120.69 3f0e s ALA 153 Ca -0.12 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3f0e s ALA 153 Cb -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3f0e s ALA 153 CO 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 175.76 175.84 3f0e s ALA 154 N 0.20 0.73 -0.16 0.00 0.00 -0.71 -1.27 121.76 120.55 3f0e s ALA 154 Ca -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3f0e s ALA 154 Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3f0e s ALA 154 CO 0.01 0.06 -0.03 -1.17 0.00 0.00 0.00 175.76 174.63 3f0e s LEU 155 N 0.52 3.26 0.27 0.00 2.96 -0.69 -0.95 118.68 124.05 3f0e s LEU 155 Ca -0.07 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3f0e s LEU 155 Cb -0.11 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 3f0e s LEU 155 CO 0.00 0.16 -0.01 0.68 -1.32 0.00 0.00 176.35 175.86 3f0e s VAL 156 N 0.44 1.29 0.00 1.68 -7.23 -0.39 -0.33 120.40 115.86 3f0e s VAL 156 Ca -0.03 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 3f0e s VAL 156 Cb -0.14 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 3f0e s VAL 156 CO 0.03 -0.24 -0.02 0.54 -0.31 0.00 0.00 175.10 175.10 3f0e s VAL 157 N -3.24 0.13 -2.98 1.32 0.11 -0.00 -0.87 120.40 114.86 3f0e s VAL 157 Ca 0.31 -0.15 0.24 0.00 -2.93 0.00 0.00 61.98 59.44 3f0e s VAL 157 Cb 0.06 -0.13 0.20 0.00 -1.53 0.00 0.00 36.38 34.98 3f0e s VAL 157 CO 0.11 -0.02 1.28 -1.14 -3.33 0.00 0.00 175.10 172.00