#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0e n ASP 2 N 0.00 5.41 -4.81 7.83 -0.08 -1.26 -5.00 116.55 118.63 3f0e n ASP 2 Ca 0.00 -3.06 -0.34 0.00 -1.51 0.00 0.00 54.79 49.88 3f0e n ASP 2 Cb 0.00 -1.47 -0.07 0.00 2.34 0.00 0.00 41.12 41.92 3f0e n ASP 2 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3f0e s PHE 3 N 0.15 3.39 0.00 -0.67 0.08 -1.26 -0.93 117.98 118.74 3f0e s PHE 3 Ca 0.38 1.65 -0.01 0.00 0.12 0.00 0.00 56.93 59.07 3f0e s PHE 3 Cb -0.02 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 3f0e s PHE 3 CO -0.01 -0.06 0.00 1.03 -0.10 0.00 0.00 175.22 176.08 3f0e s ARG 4 N -2.92 0.15 0.07 0.44 1.81 -0.21 -4.96 118.95 113.32 3f0e s ARG 4 Ca 0.59 -0.24 0.06 0.00 -1.72 0.00 0.00 55.73 54.42 3f0e s ARG 4 Cb -0.12 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 3f0e s ARG 4 CO 0.16 -0.03 -0.10 0.96 -0.68 0.00 0.00 175.30 175.62 3f0e s ILE 5 N -0.61 3.41 0.11 1.52 -4.36 -1.26 -1.14 121.20 118.86 3f0e s ILE 5 Ca -0.07 -1.10 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 3f0e s ILE 5 Cb -0.04 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 3f0e s ILE 5 CO -0.00 0.22 -0.11 -0.83 0.24 0.00 0.00 174.94 174.46 3f0e s GLY 6 N -1.89 0.93 0.06 6.27 0.00 -0.30 -3.93 107.32 108.46 3f0e s GLY 6 Ca 0.20 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3f0e s GLY 6 CO 0.11 -1.33 -0.10 -0.86 0.00 0.00 0.00 173.10 170.92 3f0e s GLN 7 N -2.93 0.68 0.01 2.90 1.03 -1.26 -1.44 119.66 118.66 3f0e s GLN 7 Ca 0.08 -0.93 -0.04 0.00 0.04 0.00 0.00 55.36 54.51 3f0e s GLN 7 Cb -0.02 -0.46 -0.01 0.00 0.03 0.00 0.00 33.01 32.55 3f0e s GLN 7 CO 0.01 0.08 0.06 0.20 -2.54 0.00 0.00 175.29 173.10 3f0e s GLY 8 N -1.92 0.12 0.01 2.60 0.00 -0.16 -3.87 107.32 104.10 3f0e s GLY 8 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.37 3f0e s GLY 8 CO 0.00 -0.42 -0.01 -0.47 0.00 0.00 0.00 173.10 172.20 3f0e s TYR 9 N -1.36 0.10 -0.15 1.90 6.14 -1.26 -1.28 117.35 121.44 3f0e s TYR 9 Ca -0.15 -0.14 -0.24 0.00 0.64 0.00 0.00 57.07 57.18 3f0e s TYR 9 Cb -0.08 -0.07 0.06 0.00 0.42 0.00 0.00 41.96 42.29 3f0e s TYR 9 CO 0.00 -0.05 0.60 0.34 0.64 0.00 0.00 175.55 177.09 3f0e s ASP 10 N -0.39 -0.60 0.02 4.32 2.15 -0.76 -4.63 116.67 116.78 3f0e s ASP 10 Ca -0.04 0.94 0.01 0.00 0.43 0.00 0.00 52.55 53.89 3f0e s ASP 10 Cb -0.03 0.91 -0.02 0.00 -0.30 0.00 0.00 42.92 43.49 3f0e s ASP 10 CO -0.00 -0.37 -0.05 0.54 -0.17 0.00 0.00 175.17 175.12 3f0e s VAL 11 N -0.36 0.27 0.00 1.11 0.11 -1.26 -0.71 120.40 119.56 3f0e s VAL 11 Ca -0.05 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3f0e s VAL 11 Cb -0.03 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 3f0e s VAL 11 CO 0.04 -0.36 0.05 -1.00 -3.33 0.00 0.00 175.10 170.50 3f0e s HIS 12 N -1.19 0.09 0.36 1.54 3.76 -0.92 -5.00 115.29 113.94 3f0e s HIS 12 Ca -0.11 -0.20 -0.27 0.00 -0.15 0.00 0.00 55.06 54.33 3f0e s HIS 12 Cb -0.08 -0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.43 3f0e s HIS 12 CO -0.00 -0.17 1.25 -1.14 -0.85 0.00 0.00 174.74 173.82 3f0e s GLN 13 N -0.99 4.20 -0.30 1.40 0.74 -1.26 -1.53 119.66 121.93 3f0e s GLN 13 Ca -0.11 2.06 -0.02 0.00 0.05 0.00 0.00 55.36 57.34 3f0e s GLN 13 Cb -0.06 -2.90 0.04 0.00 1.10 0.00 0.00 33.01 31.19 3f0e s GLN 13 CO 0.00 -0.26 0.00 -1.17 -0.55 0.00 0.00 175.29 173.31 3f0e s LEU 14 N -2.11 3.82 0.01 3.68 2.96 0.15 -1.94 118.68 125.26 3f0e s LEU 14 Ca 0.53 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 3f0e s LEU 14 Cb -0.36 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3f0e s LEU 14 CO 0.47 -0.24 -0.03 0.54 -1.32 0.00 0.00 176.35 175.77 3f0e s VAL 15 N 1.28 0.16 0.57 1.68 0.11 -0.04 -4.53 120.40 119.65 3f0e s VAL 15 Ca -0.04 -0.58 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 3f0e s VAL 15 Cb -0.19 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3f0e s VAL 15 CO -0.01 -0.26 1.21 -2.65 -3.33 0.00 0.00 175.10 170.05 3f0e n PRO 16 N 2.18 1.32 0.00 1.54 -0.02 -1.26 -0.69 135.00 138.07 3f0e n PRO 16 Ca -0.19 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3f0e n PRO 16 Cb 0.57 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3f0e n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f0e n GLY 17 N 0.98 0.65 3.11 -1.23 0.00 -1.26 -4.85 105.19 102.59 3f0e n GLY 17 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.64 0.66 0.72 1.61 1.81 -1.25 -5.02 118.95 116.84 3f0e s ARG 18 Ca 0.00 -0.87 -0.11 0.00 -1.72 0.00 0.00 55.73 53.03 3f0e s ARG 18 Cb 0.00 -0.50 0.03 0.00 -0.45 0.00 0.00 34.95 34.03 3f0e s ARG 18 CO 0.00 0.10 1.07 -1.25 -0.68 0.00 0.00 175.30 174.54 3f0e s PRO 19 N -1.79 2.68 -0.40 3.54 0.04 -1.26 -1.92 135.00 135.90 3f0e s PRO 19 Ca -0.05 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 3f0e s PRO 19 Cb -0.09 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.54 3f0e s PRO 19 CO 0.01 -1.30 0.23 -1.17 0.04 0.00 0.00 177.00 174.81 3f0e s LEU 20 N -5.69 4.92 -0.28 -3.56 2.96 -1.26 -2.89 118.68 112.88 3f0e s LEU 20 Ca 0.59 -1.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3f0e s LEU 20 Cb -0.15 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.57 3f0e s LEU 20 CO 0.55 -0.46 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.47 3f0e s ILE 21 N 1.51 2.82 -0.12 6.68 1.01 -1.26 0.02 121.20 131.86 3f0e s ILE 21 Ca 0.02 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.35 3f0e s ILE 21 Cb -0.21 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.69 3f0e s ILE 21 CO 0.05 -0.03 -0.21 -0.63 0.00 0.00 0.00 174.94 174.13 3f0e s ILE 22 N 1.24 1.92 -1.44 2.92 -1.09 -0.47 -4.28 121.20 120.00 3f0e s ILE 22 Ca -0.05 -0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 57.37 3f0e s ILE 22 Cb -0.19 -1.69 0.05 0.00 -1.58 0.00 0.00 42.46 39.05 3f0e s ILE 22 CO -0.02 0.52 0.99 0.61 -1.23 0.00 0.00 174.94 175.81 3f0e n GLY 23 N 3.93 -0.47 2.42 6.18 0.00 -1.26 -1.71 105.19 114.28 3f0e n GLY 23 Ca -0.20 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.73 0.51 3.25 -0.02 0.00 -1.26 -4.37 105.19 101.57 3f0e n GLY 24 Ca -0.03 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.76 2.88 -0.02 1.61 1.01 -0.69 -5.03 120.40 118.39 3f0e s VAL 25 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3f0e s VAL 25 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3f0e s VAL 25 CO 0.00 0.47 1.13 -0.89 0.00 0.00 0.00 175.10 175.82 3f0e s THR 26 N 1.29 4.38 -0.14 3.92 2.01 -1.26 -1.37 115.64 124.48 3f0e s THR 26 Ca 0.03 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.76 3f0e s THR 26 Cb -0.14 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3f0e s THR 26 CO -0.05 0.06 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.08 3f0e s ILE 27 N 1.65 2.05 -0.03 1.82 1.01 0.10 -4.99 121.20 122.81 3f0e s ILE 27 Ca 0.55 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3f0e s ILE 27 Cb -0.24 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.33 3f0e s ILE 27 CO 0.24 0.55 2.03 -0.81 0.00 0.00 0.00 174.94 176.95 3f0e n PRO 28 N 4.02 2.60 -3.51 2.79 -0.04 -1.26 -4.19 135.00 135.41 3f0e n PRO 28 Ca -0.20 0.91 -0.12 0.00 -0.04 0.00 0.00 63.50 64.05 3f0e n PRO 28 Cb 0.52 -3.04 -0.04 0.00 -0.04 0.00 0.00 33.50 30.90 3f0e n PRO 28 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3f0e s TYR 29 N 5.36 -0.48 -0.54 0.54 5.04 -1.26 -4.96 117.35 121.05 3f0e s TYR 29 Ca 0.92 0.60 0.24 0.00 -2.44 0.00 0.00 57.07 56.39 3f0e s TYR 29 Cb -0.43 0.48 0.95 0.00 0.35 0.00 0.00 41.96 43.31 3f0e s TYR 29 CO 0.41 -0.57 1.71 0.39 -1.34 0.00 0.00 175.55 176.16 3f0e n GLU 30 N 0.31 0.19 -4.36 4.97 4.71 -1.26 -4.77 120.64 120.43 3f0e n GLU 30 Ca -0.14 0.38 -0.19 0.00 -0.01 0.00 0.00 57.16 57.20 3f0e n GLU 30 Cb 0.60 -1.84 -0.10 0.00 -1.01 0.00 0.00 31.44 29.09 3f0e n GLU 30 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3f0e s ARG 31 N -3.27 1.38 0.34 3.49 0.52 -1.26 -4.10 118.95 116.05 3f0e s ARG 31 Ca 0.05 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 53.65 3f0e s ARG 31 Cb 0.10 -1.18 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 3f0e s ARG 31 CO 0.42 0.19 0.42 0.20 0.02 0.00 0.00 175.30 176.54 3f0e s GLY 32 N -3.34 1.77 -0.21 -3.53 0.00 0.13 -4.20 107.32 97.94 3f0e s GLY 32 Ca 0.24 -1.70 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 3f0e s GLY 32 CO 0.08 -1.14 0.16 1.08 0.00 0.00 0.00 173.10 173.28 3f0e s LEU 33 N -3.28 4.18 -1.27 0.66 1.43 -1.14 -0.86 118.68 118.40 3f0e s LEU 33 Ca 0.34 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.49 3f0e s LEU 33 Cb 0.00 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.20 3f0e s LEU 33 CO 0.23 0.12 1.63 -1.48 0.23 0.00 0.00 176.35 177.08 3f0e s LEU 34 N 0.65 4.29 0.00 1.79 0.05 -0.82 -4.76 118.68 119.88 3f0e s LEU 34 Ca 0.09 -2.66 0.00 0.00 0.05 0.00 0.00 54.13 51.61 3f0e s LEU 34 Cb -0.12 -2.51 0.00 0.00 -2.05 0.00 0.00 46.19 41.51 3f0e s LEU 34 CO 0.01 -1.01 0.53 -0.90 -0.55 0.00 0.00 176.35 174.43 3f0e n ASP 38 N 7.37 0.00 -2.93 1.48 5.68 -1.26 -4.46 116.55 122.43 3f0e n ASP 38 Ca 0.44 0.08 -0.20 0.00 -0.50 0.00 0.00 54.79 54.62 3f0e n ASP 38 Cb 0.45 -0.08 0.05 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.00 -2.34 2.12 0.00 -1.26 -4.76 120.51 112.24 3f0e n ALA 39 Ca 0.00 0.31 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 3f0e n ALA 39 Cb 0.35 -4.20 -0.04 0.00 0.00 0.00 0.00 19.45 15.56 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 -3.02 5.88 0.26 0.00 -1.08 -1.26 -4.87 116.67 112.58 3f0e s ASP 40 Ca 0.39 -0.76 -0.02 0.00 -0.52 0.00 0.00 52.55 51.64 3f0e s ASP 40 Cb -0.17 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.23 3f0e s ASP 40 CO 0.49 -2.04 1.77 -0.37 0.52 0.00 0.00 175.17 175.53 3f0e h VAL 41 N 6.77 0.75 -0.05 1.11 -1.51 -1.92 -2.46 116.25 118.94 3f0e h VAL 41 Ca 0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3f0e h VAL 41 Cb 1.04 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3f0e h VAL 41 CO 1.31 0.11 0.03 0.25 -1.23 0.00 0.00 177.57 178.04 3f0e h LEU 42 N 0.62 0.06 -0.65 4.19 6.46 -1.90 -2.48 115.31 121.62 3f0e h LEU 42 Ca 0.45 -0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.99 3f0e h LEU 42 Cb 0.61 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 3f0e h LEU 42 CO -0.35 0.13 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.16 3f0e h LEU 43 N -0.01 0.68 -0.30 2.25 3.38 -1.89 -2.37 115.31 117.04 3f0e h LEU 43 Ca 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3f0e h LEU 43 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3f0e h LEU 43 CO -0.00 0.98 0.17 0.45 0.09 0.00 0.00 178.44 180.12 3f0e h HIS 44 N 0.54 0.41 -0.57 1.13 3.86 -1.41 0.18 115.15 119.30 3f0e h HIS 44 Ca 0.05 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3f0e h HIS 44 Cb 0.88 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 3f0e h HIS 44 CO 0.04 0.33 0.35 0.00 0.86 0.00 0.00 177.93 179.51 3f0e h ALA 45 N 1.04 0.73 -0.49 2.45 0.00 -1.33 0.24 119.26 121.91 3f0e h ALA 45 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3f0e h ALA 45 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3f0e h ALA 45 CO -0.02 0.09 0.14 0.82 0.00 0.00 0.00 179.25 180.28 3f0e h ILE 46 N 0.70 1.23 -0.30 0.00 2.04 -1.26 -0.31 117.51 119.60 3f0e h ILE 46 Ca 0.22 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3f0e h ILE 46 Cb -0.00 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3f0e h ILE 46 CO -0.09 0.28 0.07 0.74 0.00 0.00 0.00 178.15 179.16 3f0e h THR 47 N 0.66 0.87 -0.73 -0.27 2.02 -0.08 -1.49 112.91 113.89 3f0e h THR 47 Ca 0.16 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3f0e h THR 47 Cb 0.29 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3f0e h THR 47 CO -0.00 0.03 0.35 0.44 0.37 0.00 0.00 175.52 176.71 3f0e h ASP 48 N 0.19 0.96 -0.98 4.18 3.45 -0.32 -1.99 116.42 121.91 3f0e h ASP 48 Ca 0.14 -0.14 0.02 0.00 0.43 0.00 0.00 57.03 57.48 3f0e h ASP 48 Cb 0.14 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.61 3f0e h ASP 48 CO -0.17 0.82 0.65 0.00 -1.57 0.00 0.00 179.24 178.97 3f0e h ALA 49 N 1.17 1.25 -0.18 3.45 0.00 -0.74 -0.82 119.26 123.40 3f0e h ALA 49 Ca 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3f0e h ALA 49 Cb 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3f0e h ALA 49 CO -0.03 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.68 3f0e h LEU 50 N 1.30 0.39 -1.19 0.00 3.38 -0.85 -0.62 115.31 117.72 3f0e h LEU 50 Ca 0.37 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3f0e h LEU 50 Cb -0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3f0e h LEU 50 CO -0.09 0.70 0.41 -0.26 0.09 0.00 0.00 178.44 179.29 3f0e h PHE 51 N 0.07 0.94 0.21 1.13 0.04 -1.28 -2.09 116.94 115.95 3f0e h PHE 51 Ca 0.04 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3f0e h PHE 51 Cb 0.55 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3f0e h PHE 51 CO 0.06 0.64 -0.10 0.78 -0.60 0.00 0.00 178.31 179.09 3f0e h GLY 52 N 1.01 -0.29 0.69 -1.45 0.00 -0.92 0.95 103.07 103.07 3f0e h GLY 52 Ca 0.25 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.79 3f0e h GLY 52 CO -0.05 -0.10 0.59 0.00 0.00 0.00 0.00 176.54 176.98 3f0e h ALA 53 N 0.41 1.61 0.00 3.60 0.00 -1.03 -1.27 119.26 122.58 3f0e h ALA 53 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3f0e h ALA 53 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3f0e h ALA 53 CO 0.05 0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 3f0e n ALA 54 N -2.40 2.30 -3.51 0.00 0.00 -0.79 -4.61 120.51 111.50 3f0e n ALA 54 Ca 0.16 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 3f0e n ALA 54 Cb 0.31 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.70 -1.41 -0.58 0.00 0.00 0.14 -4.93 120.51 112.04 3f0e n ALA 55 Ca 0.06 0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.86 3f0e n ALA 55 Cb 0.40 -4.63 0.24 0.00 0.00 0.00 0.00 19.45 15.46 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 -4.63 3.69 0.00 0.00 4.77 -0.14 -5.03 117.00 115.66 3f0e n LEU 56 Ca -0.06 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 3f0e n LEU 56 Cb 0.58 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3f0e n LEU 56 CO 0.61 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3f0e n GLY 57 N 0.27 0.95 3.61 -0.72 0.00 -1.26 -4.92 105.19 103.13 3f0e n GLY 57 Ca 0.18 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 0.39 0.34 1.61 1.47 -1.26 -4.03 116.67 111.19 3f0e s ASP 58 Ca 0.00 -1.23 0.06 0.00 1.18 0.00 0.00 52.55 52.56 3f0e s ASP 58 Cb 0.00 0.70 0.73 0.00 -0.34 0.00 0.00 42.92 44.01 3f0e s ASP 58 CO 0.00 -1.36 1.87 -0.29 0.68 0.00 0.00 175.17 176.07 3f0e h ILE 59 N 2.11 0.88 -0.47 2.11 6.09 -1.91 -2.25 117.51 124.07 3f0e h ILE 59 Ca -0.28 -0.27 -0.02 0.00 -1.37 0.00 0.00 64.86 62.92 3f0e h ILE 59 Cb 1.25 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.54 3f0e h ILE 59 CO 0.38 0.14 0.23 1.23 -3.07 0.00 0.00 178.15 177.07 3f0e h GLY 60 N 0.79 0.73 1.02 8.18 0.00 -1.97 -0.69 103.07 111.12 3f0e h GLY 60 Ca 0.44 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3f0e h GLY 60 CO -0.21 0.34 0.42 3.21 0.00 0.00 0.00 176.54 180.31 3f0e h ARG 61 N 0.62 1.10 0.16 4.80 -0.00 -1.82 -3.33 114.38 115.92 3f0e h ARG 61 Ca 0.16 -0.13 -0.34 0.00 -0.50 0.00 0.00 59.98 59.17 3f0e h ARG 61 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 29.97 29.86 3f0e h ARG 61 CO -0.02 0.82 -1.76 0.45 0.00 0.00 0.00 179.97 179.46 3f0e h HIS 62 N 1.09 0.60 -3.15 3.04 3.86 -1.31 -3.49 115.15 115.80 3f0e h HIS 62 Ca 0.28 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3f0e h HIS 62 Cb 0.04 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3f0e h HIS 62 CO 0.00 1.62 0.00 1.19 0.86 0.00 0.00 177.93 181.61 3f0e n PHE 63 N -3.53 0.00 -0.03 2.45 3.72 -0.28 -5.11 117.46 114.69 3f0e n PHE 63 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3f0e n PHE 63 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3f0e n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f0e n ALA 73 N -3.00 -2.80 -1.92 4.37 0.00 -1.26 -4.57 120.51 111.33 3f0e n ALA 73 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3f0e n ALA 73 Cb 0.00 -0.47 0.15 0.00 0.00 0.00 0.00 19.45 19.13 3f0e n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3f0e s ASP 74 N -0.88 3.62 0.49 0.00 1.47 -1.26 -4.79 116.67 115.32 3f0e s ASP 74 Ca 0.00 0.42 0.23 0.00 1.18 0.00 0.00 52.55 54.38 3f0e s ASP 74 Cb 0.00 -0.63 1.27 0.00 -0.34 0.00 0.00 42.92 43.22 3f0e s ASP 74 CO 0.00 -2.43 2.02 0.28 0.68 0.00 0.00 175.17 175.73 3f0e h SER 75 N -1.41 0.00 -0.23 2.11 0.02 -1.97 -2.36 113.55 109.70 3f0e h SER 75 Ca -0.45 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 3f0e h SER 75 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3f0e h SER 75 CO 0.48 0.16 -0.37 0.03 -1.14 0.00 0.00 176.83 175.99 3f0e h ARG 76 N 0.00 0.76 -0.60 3.45 3.08 -1.98 -0.62 114.38 118.47 3f0e h ARG 76 Ca -0.00 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 3f0e h ARG 76 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3f0e h ARG 76 CO 0.02 1.01 0.23 0.00 -1.07 0.00 0.00 179.97 180.16 3f0e h ALA 77 N 0.95 0.78 -0.66 0.04 0.00 -1.80 0.12 119.26 118.69 3f0e h ALA 77 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3f0e h ALA 77 Cb 0.91 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3f0e h ALA 77 CO 0.08 0.40 0.12 -0.07 0.00 0.00 0.00 179.25 179.78 3f0e h LEU 78 N 0.83 1.04 -0.42 0.00 3.38 -1.37 -0.34 115.31 118.44 3f0e h LEU 78 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3f0e h LEU 78 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3f0e h LEU 78 CO -0.02 1.02 0.20 0.25 0.09 0.00 0.00 178.44 179.98 3f0e h LEU 79 N 1.02 0.55 -0.64 1.67 5.85 -0.88 0.26 115.31 123.14 3f0e h LEU 79 Ca 0.20 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3f0e h LEU 79 Cb 0.42 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3f0e h LEU 79 CO 0.01 0.53 0.41 0.03 -0.34 0.00 0.00 178.44 179.07 3f0e h ARG 80 N 0.53 0.78 -0.50 1.25 3.08 -0.62 -1.77 114.38 117.13 3f0e h ARG 80 Ca 0.14 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3f0e h ARG 80 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3f0e h ARG 80 CO -0.02 0.52 -0.06 1.49 -1.07 0.00 0.00 179.97 180.83 3f0e h GLU 81 N 0.81 0.92 -0.44 0.04 4.57 -0.88 -2.63 114.58 116.98 3f0e h GLU 81 Ca 0.25 -0.33 0.09 0.00 -1.18 0.00 0.00 59.36 58.19 3f0e h GLU 81 Cb -0.02 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.41 3f0e h GLU 81 CO -0.08 0.98 -0.15 0.00 -1.18 0.00 0.00 179.01 178.57 3f0e h ALA 83 N 1.33 1.30 -0.52 0.00 0.00 -1.16 -0.15 119.26 120.06 3f0e h ALA 83 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3f0e h ALA 83 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3f0e h ALA 83 CO -0.48 0.52 0.10 1.03 0.00 0.00 0.00 179.25 180.41 3f0e h SER 84 N 0.83 0.82 -0.61 0.00 0.87 -1.08 -0.61 113.55 113.77 3f0e h SER 84 Ca 0.20 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 3f0e h SER 84 Cb 0.17 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3f0e h SER 84 CO -0.02 0.86 0.10 0.03 -0.53 0.00 0.00 176.83 177.27 3f0e h ARG 85 N 0.74 1.04 -0.46 2.24 3.08 -0.78 -1.70 114.38 118.53 3f0e h ARG 85 Ca 0.16 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3f0e h ARG 85 Cb 0.38 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3f0e h ARG 85 CO 0.01 0.95 0.15 0.28 -1.07 0.00 0.00 179.97 180.29 3f0e h VAL 86 N 0.97 1.22 -0.27 2.04 2.07 -0.85 -1.68 116.25 119.75 3f0e h VAL 86 Ca 0.19 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3f0e h VAL 86 Cb 0.43 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3f0e h VAL 86 CO 0.01 0.27 0.15 0.00 0.02 0.00 0.00 177.57 178.02 3f0e h ALA 87 N 1.00 0.34 0.00 1.67 0.00 -0.91 -1.96 119.26 119.39 3f0e h ALA 87 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3f0e h ALA 87 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3f0e h ALA 87 CO -0.00 -0.24 -0.35 -0.56 0.00 0.00 0.00 179.25 178.10 3f0e h GLN 88 N 0.31 0.00 0.00 0.00 3.07 -1.23 -1.04 115.11 116.22 3f0e h GLN 88 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 3f0e h GLN 88 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 3f0e h GLN 88 CO -0.06 0.35 0.00 0.00 0.09 0.00 0.00 178.83 179.21 3f0e n ALA 89 N -2.33 1.54 0.00 0.06 0.00 -0.64 -4.85 120.51 114.29 3f0e n ALA 89 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f0e n ALA 89 Cb 0.46 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.28 1.21 3.43 0.00 0.00 -0.40 -5.09 105.19 104.05 3f0e n GLY 90 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 2.57 -0.08 1.61 0.08 -0.76 -4.35 117.98 115.06 3f0e s PHE 91 Ca 0.00 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.81 3f0e s PHE 91 Cb 0.00 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3f0e s PHE 91 CO 0.00 0.15 -0.11 0.00 -0.10 0.00 0.00 175.22 175.16 3f0e s ALA 92 N -0.75 2.78 -0.06 5.36 0.00 0.46 -3.55 121.76 126.00 3f0e s ALA 92 Ca 0.12 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 3f0e s ALA 92 Cb -0.10 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3f0e s ALA 92 CO 0.01 0.47 1.02 0.42 0.00 0.00 0.00 175.76 177.69 3f0e s ILE 93 N -0.44 4.73 -0.22 0.00 1.01 -1.26 -0.94 121.20 124.07 3f0e s ILE 93 Ca 0.06 1.98 -0.09 0.00 0.00 0.00 0.00 60.65 62.60 3f0e s ILE 93 Cb -0.12 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.90 3f0e s ILE 93 CO 0.02 0.05 -0.05 0.54 0.00 0.00 0.00 174.94 175.51 3f0e n ARG 94 N 4.65 0.64 -3.46 2.79 5.12 0.11 -4.97 116.66 121.53 3f0e n ARG 94 Ca 0.08 0.29 -0.11 0.00 -1.93 0.00 0.00 57.85 56.18 3f0e n ARG 94 Cb 0.49 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 30.17 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 -6.98 -0.48 -0.03 0.55 4.22 -1.10 -4.85 114.94 106.26 3f0e s ASN 95 Ca -0.32 0.05 0.03 0.00 -2.14 0.00 0.00 52.86 50.47 3f0e s ASN 95 Cb 0.10 0.50 0.00 0.00 1.28 0.00 0.00 41.25 43.13 3f0e s ASN 95 CO 0.60 -0.79 -0.10 -0.69 -2.04 0.00 0.00 177.10 174.09 3f0e s VAL 96 N -3.28 0.89 0.11 3.54 1.01 -0.15 -1.25 120.40 121.27 3f0e s VAL 96 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3f0e s VAL 96 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3f0e s VAL 96 CO -0.10 0.28 -0.14 -0.62 0.00 0.00 0.00 175.10 174.52 3f0e s ASP 97 N 0.24 1.98 0.17 3.32 2.15 -0.16 -1.35 116.67 123.03 3f0e s ASP 97 Ca -0.05 -0.78 -0.18 0.00 0.43 0.00 0.00 52.55 51.98 3f0e s ASP 97 Cb -0.10 -0.07 0.04 0.00 -0.30 0.00 0.00 42.92 42.49 3f0e s ASP 97 CO 0.01 -0.12 0.51 -0.94 -0.17 0.00 0.00 175.17 174.45 3f0e s SER 98 N -2.32 -0.32 -0.02 -0.34 1.04 -0.95 -0.29 113.70 110.51 3f0e s SER 98 Ca 0.07 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.17 3f0e s SER 98 Cb -0.06 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.63 3f0e s SER 98 CO 0.03 -0.98 -0.01 -0.89 0.98 0.00 0.00 173.24 172.37 3f0e s THR 99 N -3.83 0.16 -0.19 2.02 2.01 -0.15 -1.02 115.64 114.63 3f0e s THR 99 Ca 0.06 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 3f0e s THR 99 Cb -0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3f0e s THR 99 CO -0.07 0.09 0.05 -0.63 -0.69 0.00 0.00 174.62 173.37 3f0e s ILE 100 N 0.51 4.58 -0.29 1.82 1.01 0.46 -0.37 121.20 128.92 3f0e s ILE 100 Ca -0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 3f0e s ILE 100 Cb -0.08 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3f0e s ILE 100 CO -0.01 0.44 0.14 -0.63 0.00 0.00 0.00 174.94 174.88 3f0e s ILE 101 N 0.62 4.65 -0.18 2.92 1.01 0.30 -0.46 121.20 130.06 3f0e s ILE 101 Ca 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 3f0e s ILE 101 Cb -0.13 -3.31 0.07 0.00 0.01 0.00 0.00 42.46 39.10 3f0e s ILE 101 CO 0.02 0.15 0.40 0.00 0.00 0.00 0.00 174.94 175.51 3f0e s ALA 102 N 1.64 -1.05 0.26 9.38 0.00 0.02 -1.95 121.76 130.06 3f0e s ALA 102 Ca 0.05 1.49 -0.00 0.00 0.00 0.00 0.00 51.96 53.50 3f0e s ALA 102 Cb -0.16 -1.05 0.36 0.00 0.00 0.00 0.00 23.12 22.26 3f0e s ALA 102 CO 0.06 -0.43 1.73 0.37 0.00 0.00 0.00 175.76 177.49 3f0e h GLN 103 N 7.50 0.65 -2.68 0.00 5.75 -1.81 -3.35 115.11 121.17 3f0e h GLN 103 Ca -0.29 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 57.94 3f0e h GLN 103 Cb 1.16 -0.06 -0.16 0.00 1.07 0.00 0.00 27.48 29.49 3f0e h GLN 103 CO 0.24 0.77 0.07 0.00 -2.65 0.00 0.00 178.83 177.25 3f0e s ALA 104 N -4.74 -1.41 0.92 3.38 0.00 -1.26 -4.85 121.76 113.81 3f0e s ALA 104 Ca -0.08 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 3f0e s ALA 104 Cb 0.14 0.37 0.15 0.00 0.00 0.00 0.00 23.12 23.78 3f0e s ALA 104 CO 0.80 -0.51 0.91 -0.35 0.00 0.00 0.00 175.76 176.62 3f0e n PRO 105 N 0.42 -0.72 -1.80 0.00 -0.04 -1.26 -5.05 135.00 126.55 3f0e n PRO 105 Ca -0.18 -1.59 -0.42 0.00 -0.04 0.00 0.00 63.50 61.27 3f0e n PRO 105 Cb 0.60 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 33.15 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 -4.94 4.16 -0.07 0.54 -0.14 -1.26 -4.92 119.74 113.12 3f0e s LYS 106 Ca 0.53 2.52 0.16 0.00 -1.36 0.00 0.00 55.97 57.82 3f0e s LYS 106 Cb -0.02 -3.10 -0.25 0.00 -1.68 0.00 0.00 37.83 32.78 3f0e s LYS 106 CO 0.37 -0.70 0.28 1.28 -0.76 0.00 0.00 175.35 175.82 3f0e n LEU 107 N 3.95 0.00 -0.33 3.17 4.77 -1.26 -4.61 117.00 122.69 3f0e n LEU 107 Ca 0.15 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 3f0e n LEU 107 Cb 0.36 0.12 0.34 0.00 -2.33 0.00 0.00 43.42 41.92 3f0e n LEU 107 CO 0.63 0.12 1.13 0.00 -1.33 0.00 0.00 177.39 177.94 3f0e h ALA 108 N 1.34 1.64 -0.01 -1.18 0.00 -1.97 0.85 119.26 119.94 3f0e h ALA 108 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f0e h ALA 108 Cb 1.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3f0e h ALA 108 CO 0.01 -0.24 0.01 -1.35 0.00 0.00 0.00 179.25 177.68 3f0e h PRO 109 N 0.57 0.00 -0.10 0.00 0.11 -2.01 -2.98 132.00 127.58 3f0e h PRO 109 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3f0e h PRO 109 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3f0e h PRO 109 CO -0.47 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.04 3f0e n HIS 110 N -3.68 0.11 -0.21 0.65 8.25 0.29 -4.61 115.22 116.02 3f0e n HIS 110 Ca -0.03 -0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.30 3f0e n HIS 110 Cb 0.09 -0.00 0.03 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 4.07 1.20 -0.39 1.59 5.03 -1.47 -2.59 117.51 124.96 3f0e h ILE 111 Ca 0.00 -0.55 -0.05 0.00 -0.12 0.00 0.00 64.86 64.14 3f0e h ILE 111 Cb 0.88 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.13 3f0e h ILE 111 CO 0.00 0.23 0.02 0.44 -0.68 0.00 0.00 178.15 178.16 3f0e h ASP 112 N 0.80 0.56 -0.22 1.72 3.32 -1.82 -0.11 116.42 120.67 3f0e h ASP 112 Ca 0.21 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3f0e h ASP 112 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3f0e h ASP 112 CO -0.03 0.62 0.02 0.00 -1.72 0.00 0.00 179.24 178.13 3f0e h ALA 113 N 1.45 0.30 -0.29 3.45 0.00 -1.83 -0.88 119.26 121.46 3f0e h ALA 113 Ca 0.12 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3f0e h ALA 113 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3f0e h ALA 113 CO 0.01 -0.01 0.12 0.52 0.00 0.00 0.00 179.25 179.89 3f0e h MET 114 N 0.16 0.26 -0.60 0.00 2.86 -1.16 0.65 114.93 117.10 3f0e h MET 114 Ca 0.07 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3f0e h MET 114 Cb 0.35 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3f0e h MET 114 CO 0.01 0.17 0.36 0.00 1.06 0.00 0.00 176.91 178.51 3f0e h ARG 115 N 0.26 0.68 -0.61 1.72 3.08 -0.95 0.66 114.38 119.23 3f0e h ARG 115 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3f0e h ARG 115 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3f0e h ARG 115 CO -0.11 0.45 0.32 0.00 -1.07 0.00 0.00 179.97 179.56 3f0e h ALA 116 N 1.27 0.78 -0.53 0.04 0.00 -0.84 -0.16 119.26 119.83 3f0e h ALA 116 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3f0e h ALA 116 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3f0e h ALA 116 CO -0.11 0.32 0.24 -0.91 0.00 0.00 0.00 179.25 178.79 3f0e h ASN 117 N 0.83 0.70 -0.22 0.00 2.35 -0.13 -2.05 115.58 117.07 3f0e h ASN 117 Ca 0.21 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 3f0e h ASN 117 Cb 0.07 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3f0e h ASN 117 CO -0.03 0.65 -0.37 0.40 -1.65 0.00 0.00 177.43 176.43 3f0e h ILE 118 N 0.70 1.32 -0.73 2.81 2.04 -0.78 -2.41 117.51 120.47 3f0e h ILE 118 Ca 0.18 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 3f0e h ILE 118 Cb 0.15 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3f0e h ILE 118 CO -0.02 0.49 0.23 0.00 0.00 0.00 0.00 178.15 178.85 3f0e h ALA 119 N 0.62 0.96 -0.01 1.87 0.00 -1.01 -1.09 119.26 120.60 3f0e h ALA 119 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3f0e h ALA 119 Cb 0.96 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3f0e h ALA 119 CO 0.08 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.96 3f0e h ALA 120 N 1.11 -0.01 -0.26 0.00 0.00 -1.40 0.80 119.26 119.51 3f0e h ALA 120 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3f0e h ALA 120 Cb 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3f0e h ALA 120 CO -0.01 -0.51 -0.01 -0.44 0.00 0.00 0.00 179.25 178.28 3f0e h ASP 121 N -0.03 0.36 0.05 0.00 3.32 -1.07 -2.48 116.42 116.56 3f0e h ASP 121 Ca 0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3f0e h ASP 121 Cb 0.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3f0e h ASP 121 CO -0.03 0.43 -0.22 0.18 -1.72 0.00 0.00 179.24 177.88 3f0e n LEU 122 N -4.32 1.89 -3.74 1.55 4.77 -0.44 -4.49 117.00 112.22 3f0e n LEU 122 Ca 0.01 -0.64 -0.24 0.00 -0.03 0.00 0.00 56.01 55.11 3f0e n LEU 122 Cb 0.22 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3f0e n LEU 122 CO 0.38 0.33 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.99 3f0e n ASP 123 N 0.17 -1.92 -4.49 -1.43 2.03 -0.25 -5.00 116.55 105.66 3f0e n ASP 123 Ca 0.13 -0.90 -0.30 0.00 0.52 0.00 0.00 54.79 54.25 3f0e n ASP 123 Cb 0.45 -3.75 -0.11 0.00 -0.72 0.00 0.00 41.12 36.98 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 -6.65 2.73 0.39 -2.67 1.43 0.11 -5.04 118.68 108.99 3f0e s LEU 124 Ca 0.11 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.46 3f0e s LEU 124 Cb -0.03 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.50 3f0e s LEU 124 CO 0.84 0.20 1.23 -2.65 0.23 0.00 0.00 176.35 176.20 3f0e n PRO 125 N 1.03 1.87 -0.23 1.29 -0.02 -1.26 -4.60 135.00 133.08 3f0e n PRO 125 Ca -0.15 0.66 0.15 0.00 -2.02 0.00 0.00 63.50 62.14 3f0e n PRO 125 Cb 0.52 -2.29 0.45 0.00 -0.02 0.00 0.00 33.50 32.16 3f0e n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3f0e h LEU 126 N 2.12 0.51 0.00 2.45 5.85 -1.94 -1.28 115.31 123.01 3f0e h LEU 126 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3f0e h LEU 126 Cb 1.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3f0e h LEU 126 CO 0.60 0.25 0.00 -0.90 -0.34 0.00 0.00 178.44 178.05 3f0e n ASP 127 N -4.52 0.00 -0.54 1.25 5.68 -1.26 -2.37 116.55 114.78 3f0e n ASP 127 Ca 0.17 -1.51 0.05 0.00 -0.50 0.00 0.00 54.79 53.00 3f0e n ASP 127 Cb 0.54 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.65 3f0e n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f0e n ARG 128 N -0.59 2.81 -4.47 0.11 1.74 -0.48 -4.96 116.66 110.82 3f0e n ARG 128 Ca 0.04 -1.95 -0.25 0.00 -0.77 0.00 0.00 57.85 54.92 3f0e n ARG 128 Cb 0.02 -1.23 -0.17 0.00 -1.02 0.00 0.00 32.46 30.06 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 -0.99 1.15 -0.01 1.55 1.01 -1.00 -0.98 120.40 121.13 3f0e s VAL 129 Ca 0.20 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3f0e s VAL 129 Cb 0.10 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3f0e s VAL 129 CO 0.13 0.36 -0.08 0.21 0.00 0.00 0.00 175.10 175.73 3f0e s ASN 130 N 0.85 0.96 -0.07 3.32 2.47 -0.46 -5.00 114.94 117.01 3f0e s ASN 130 Ca -0.11 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.02 3f0e s ASN 130 Cb -0.15 -0.11 0.02 0.00 -1.45 0.00 0.00 41.25 39.56 3f0e s ASN 130 CO 0.01 0.10 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.74 3f0e s VAL 131 N -0.21 0.74 0.21 -5.21 1.01 -1.26 -2.23 120.40 113.45 3f0e s VAL 131 Ca 0.03 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3f0e s VAL 131 Cb -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3f0e s VAL 131 CO -0.00 0.29 -0.04 -0.54 0.00 0.00 0.00 175.10 174.81 3f0e s LYS 132 N 1.30 2.24 -0.04 2.72 1.02 -0.19 -4.98 119.74 121.81 3f0e s LYS 132 Ca -0.04 -1.28 0.04 0.00 0.02 0.00 0.00 55.97 54.71 3f0e s LYS 132 Cb -0.14 -2.21 -0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3f0e s LYS 132 CO -0.02 0.41 -0.14 0.00 -0.92 0.00 0.00 175.35 174.68 3f0e s ALA 133 N -1.94 1.26 0.08 5.17 0.00 -1.26 -0.40 121.76 124.67 3f0e s ALA 133 Ca 0.28 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.72 3f0e s ALA 133 Cb -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3f0e s ALA 133 CO 0.18 0.22 -0.08 0.15 0.00 0.00 0.00 175.76 176.23 3f0e s LYS 134 N 0.09 0.73 0.61 0.00 -0.14 0.39 -4.94 119.74 116.48 3f0e s LYS 134 Ca -0.03 -1.08 0.03 0.00 -1.36 0.00 0.00 55.97 53.53 3f0e s LYS 134 Cb -0.10 -0.33 0.08 0.00 -1.68 0.00 0.00 37.83 35.79 3f0e s LYS 134 CO 0.01 0.04 0.84 0.95 -0.76 0.00 0.00 175.35 176.43 3f0e s THR 135 N -2.49 2.38 -0.27 2.17 -4.23 -1.26 -0.80 115.64 111.14 3f0e s THR 135 Ca 0.02 -0.74 0.12 0.00 -1.18 0.00 0.00 61.69 59.91 3f0e s THR 135 Cb -0.02 -2.64 0.61 0.00 1.34 0.00 0.00 72.50 71.79 3f0e s THR 135 CO -0.02 0.00 1.60 -3.20 -0.54 0.00 0.00 174.62 172.46 3f0e n ASN 136 N -2.47 3.88 -4.04 3.99 5.15 -1.26 -4.79 115.26 115.72 3f0e n ASN 136 Ca 0.12 -3.31 -0.33 0.00 -0.60 0.00 0.00 54.58 50.46 3f0e n ASN 136 Cb 0.60 -0.65 -0.00 0.00 -0.53 0.00 0.00 39.78 39.19 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 -0.56 -4.09 -1.30 1.20 -0.58 -1.26 -0.94 120.64 113.11 3f0e n GLU 137 Ca 0.33 0.47 -0.10 0.00 -0.42 0.00 0.00 57.16 57.44 3f0e n GLU 137 Cb 1.15 -5.26 -0.04 0.00 -0.57 0.00 0.00 31.44 26.71 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 -4.45 -1.02 -4.01 3.49 4.76 -1.26 -5.00 118.16 110.67 3f0e n LYS 138 Ca 0.06 0.82 -0.36 0.00 -2.87 0.00 0.00 58.31 55.96 3f0e n LYS 138 Cb 0.50 -4.86 -0.08 0.00 -1.84 0.00 0.00 35.03 28.75 3f0e n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f0e s LEU 139 N -2.33 4.03 0.00 -0.35 1.43 -0.11 -4.57 118.68 116.78 3f0e s LEU 139 Ca 0.00 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3f0e s LEU 139 Cb 0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3f0e s LEU 139 CO 0.00 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3f0e n GLY 140 N 2.58 -1.27 0.32 -3.19 0.00 -1.26 -0.63 105.19 101.73 3f0e n GLY 140 Ca -0.18 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.08 0.47 -0.20 1.61 -0.00 -1.97 -1.01 116.97 115.80 3f0e h TYR 141 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.72 3f0e h TYR 141 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 36.64 3f0e h TYR 141 CO 0.00 0.28 0.05 -0.07 -0.00 0.00 0.00 178.16 178.42 3f0e h LEU 142 N 0.49 0.30 -1.27 0.10 3.38 -1.81 0.17 115.31 116.68 3f0e h LEU 142 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3f0e h LEU 142 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3f0e h LEU 142 CO -0.04 0.45 0.00 1.23 0.09 0.00 0.00 178.44 180.16 3f0e h GLY 143 N 0.14 0.00 -1.51 0.83 0.00 -0.05 -1.93 103.07 100.56 3f0e h GLY 143 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3f0e h GLY 143 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3f0e n ARG 144 N -2.72 2.12 -2.54 4.80 1.74 -0.46 -4.24 116.66 115.35 3f0e n ARG 144 Ca 0.01 -1.66 -0.13 0.00 -0.77 0.00 0.00 57.85 55.30 3f0e n ARG 144 Cb 0.25 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.31 -0.09 0.02 -0.13 0.00 -0.72 -4.91 105.19 100.67 3f0e n GLY 145 Ca 0.17 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.55 0.27 -3.86 1.61 1.02 0.02 -4.67 120.64 112.47 3f0e n GLU 146 Ca -0.10 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 56.93 3f0e n GLU 146 Cb 0.59 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 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 -3.61 0.09 -0.03 0.62 0.00 -1.21 0.33 107.32 103.51 3f0e s GLY 147 Ca 0.03 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.33 3f0e s GLY 147 CO 0.82 -0.30 -0.08 -0.42 0.00 0.00 0.00 173.10 173.13 3f0e s ILE 148 N -3.93 0.69 0.08 0.90 1.01 -0.58 -4.58 121.20 114.78 3f0e s ILE 148 Ca 0.14 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.55 3f0e s ILE 148 Cb -0.03 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3f0e s ILE 148 CO 0.05 0.23 -0.08 -0.70 0.00 0.00 0.00 174.94 174.43 3f0e s GLU 149 N 0.32 2.29 0.05 2.79 2.12 -0.83 -2.16 118.70 123.29 3f0e s GLU 149 Ca -0.05 -0.93 0.06 0.00 0.36 0.00 0.00 54.97 54.42 3f0e s GLU 149 Cb -0.09 -2.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 3f0e s GLU 149 CO 0.00 0.54 -0.16 0.00 -0.54 0.00 0.00 175.26 175.10 3f0e s ALA 150 N -1.17 1.37 0.05 6.30 0.00 0.12 -0.54 121.76 127.89 3f0e s ALA 150 Ca 0.21 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.29 3f0e s ALA 150 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3f0e s ALA 150 CO 0.13 0.27 -0.18 -0.65 0.00 0.00 0.00 175.76 175.33 3f0e s GLN 151 N -1.31 1.16 0.01 0.00 -0.21 0.50 -1.83 119.66 117.98 3f0e s GLN 151 Ca 0.03 -0.91 -0.05 0.00 0.02 0.00 0.00 55.36 54.46 3f0e s GLN 151 Cb -0.09 -1.25 -0.01 0.00 1.00 0.00 0.00 33.01 32.66 3f0e s GLN 151 CO 0.02 0.31 0.08 0.00 -2.12 0.00 0.00 175.29 173.58 3f0e s ALA 152 N -0.89 -0.15 -0.03 6.09 0.00 -0.40 -0.98 121.76 125.40 3f0e s ALA 152 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3f0e s ALA 152 Cb -0.09 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3f0e s ALA 152 CO 0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 175.76 175.49 3f0e s ALA 153 N -1.65 0.78 -0.02 0.00 0.00 0.60 -0.99 121.76 120.49 3f0e s ALA 153 Ca -0.13 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.58 3f0e s ALA 153 Cb -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3f0e s ALA 153 CO -0.00 0.11 -0.06 0.00 0.00 0.00 0.00 175.76 175.80 3f0e s ALA 154 N 0.29 0.67 -0.13 0.00 0.00 -0.52 -0.98 121.76 121.09 3f0e s ALA 154 Ca -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 3f0e s ALA 154 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3f0e s ALA 154 CO 0.00 0.09 -0.04 -1.17 0.00 0.00 0.00 175.76 174.65 3f0e s LEU 155 N 0.31 3.29 0.12 0.00 2.96 -0.38 -1.15 118.68 123.83 3f0e s LEU 155 Ca -0.04 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3f0e s LEU 155 Cb -0.08 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3f0e s LEU 155 CO 0.00 0.24 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.48 3f0e s VAL 156 N -0.05 1.06 -0.01 1.68 1.01 -0.29 0.04 120.40 123.83 3f0e s VAL 156 Ca 0.02 -1.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.08 3f0e s VAL 156 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3f0e s VAL 156 CO 0.03 -0.69 0.03 0.54 0.00 0.00 0.00 175.10 175.01 3f0e s VAL 157 N -3.03 -0.00 -0.52 2.92 0.11 -0.12 -1.05 120.40 118.71 3f0e s VAL 157 Ca 0.12 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 3f0e s VAL 157 Cb 0.01 -0.05 0.03 0.00 -1.53 0.00 0.00 36.38 34.84 3f0e s VAL 157 CO -0.00 0.01 0.63 -1.14 -3.33 0.00 0.00 175.10 171.27