#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6u s LEU -4 N 0.00 4.52 -0.15 1.20 1.02 -1.26 -4.99 118.68 119.02 2r6u s LEU -4 Ca 0.00 2.08 -0.24 0.00 0.02 0.00 0.00 54.13 55.98 2r6u s LEU -4 Cb 0.00 -3.61 -0.22 0.00 0.02 0.00 0.00 46.19 42.39 2r6u s LEU -4 CO 0.00 -0.16 0.55 0.22 0.02 0.00 0.00 176.35 176.99 2r6u h TYR -3 N 4.84 0.00 -1.10 0.29 3.20 -1.99 -3.38 116.97 118.83 2r6u h TYR -3 Ca -0.45 0.00 -0.73 0.00 3.14 0.00 0.00 58.73 60.70 2r6u h TYR -3 Cb 1.21 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.36 2r6u h TYR -3 CO 0.62 1.01 2.20 1.19 -1.64 0.00 0.00 178.16 181.55 2r6u n PHE -2 N -4.58 3.83 -4.00 -3.82 3.72 -1.26 -4.48 117.46 106.87 2r6u n PHE -2 Ca -0.14 -2.97 -0.10 0.00 -0.05 0.00 0.00 57.45 54.19 2r6u n PHE -2 Cb 0.49 -2.28 -0.07 0.00 -0.94 0.00 0.00 39.48 36.68 2r6u n PHE -2 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2r6u s GLN -1 N 2.03 1.24 7.81 -1.08 -2.07 -1.26 -5.05 119.66 121.28 2r6u s GLN -1 Ca 0.45 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 2r6u s GLN -1 Cb 0.07 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 2r6u s GLN -1 CO -0.01 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 2r6u n GLY 0 N -0.25 4.08 0.07 2.60 0.00 -1.26 -1.93 105.19 108.50 2r6u n GLY 0 Ca -0.05 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2r6u n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2r6u n MET 1 N 14.00 0.31 -1.67 1.61 2.81 -1.26 -4.94 117.12 127.97 2r6u n MET 1 Ca 0.00 -0.15 -0.50 0.00 -1.81 0.00 0.00 57.70 55.25 2r6u n MET 1 Cb 0.00 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 30.96 2r6u n MET 1 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2r6u n THR 2 N -1.22 0.28 0.00 2.03 -1.04 -0.81 -1.62 114.28 111.90 2r6u n THR 2 Ca 0.09 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2r6u n THR 2 Cb 0.33 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 2r6u n THR 2 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2r6u n GLY 3 N 3.82 2.51 3.74 3.41 0.00 0.67 -4.85 105.19 114.49 2r6u n GLY 3 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2r6u n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r6u s ARG 4 N -0.82 4.24 -0.41 1.61 0.52 -0.64 -4.67 118.95 118.77 2r6u s ARG 4 Ca 0.00 2.35 -0.26 0.00 -0.52 0.00 0.00 55.73 57.29 2r6u s ARG 4 Cb 0.00 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.39 2r6u s ARG 4 CO 0.00 -0.48 0.97 0.42 0.02 0.00 0.00 175.30 176.24 2r6u s ILE 5 N 0.17 4.48 0.00 1.52 -1.09 -1.26 -0.49 121.20 124.53 2r6u s ILE 5 Ca 0.61 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 2r6u s ILE 5 Cb -0.43 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 2r6u s ILE 5 CO 0.42 -0.71 0.24 1.33 -1.23 0.00 0.00 174.94 174.99 2r6u n VAL 6 N 6.27 0.00 -3.48 2.92 0.24 -0.68 -4.96 118.33 118.64 2r6u n VAL 6 Ca 0.08 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.77 2r6u n VAL 6 Cb 0.48 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 2r6u n VAL 6 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2r6u s HIS 7 N -0.51 -0.46 0.07 6.34 5.65 -1.24 -4.53 115.29 120.61 2r6u s HIS 7 Ca 0.00 0.41 0.01 0.00 0.25 0.00 0.00 55.06 55.73 2r6u s HIS 7 Cb 0.00 0.52 -0.04 0.00 -1.18 0.00 0.00 32.58 31.88 2r6u s HIS 7 CO 0.00 -0.64 -0.05 -0.59 -0.65 0.00 0.00 174.74 172.80 2r6u s PHE 8 N -2.92 0.73 -0.04 3.88 -0.12 -1.17 -1.08 117.98 117.27 2r6u s PHE 8 Ca 0.01 -0.90 0.02 0.00 -0.05 0.00 0.00 56.93 56.01 2r6u s PHE 8 Cb -0.01 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.94 2r6u s PHE 8 CO -0.07 -0.21 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.59 2r6u s GLU 9 N -3.52 1.06 -0.20 1.99 2.02 0.42 -0.99 118.70 119.47 2r6u s GLU 9 Ca 0.07 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.76 2r6u s GLU 9 Cb 0.04 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.30 2r6u s GLU 9 CO -0.06 0.05 -0.10 0.42 0.02 0.00 0.00 175.26 175.59 2r6u s ILE 10 N 0.44 2.85 0.50 -1.63 1.01 -0.26 -1.32 121.20 122.80 2r6u s ILE 10 Ca -0.07 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 2r6u s ILE 10 Cb -0.11 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 2r6u s ILE 10 CO 0.01 0.47 0.94 -2.16 0.00 0.00 0.00 174.94 174.20 2r6u s PRO 11 N 1.40 3.89 0.10 2.79 0.04 -1.26 -2.21 135.00 139.76 2r6u s PRO 11 Ca 0.05 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.96 2r6u s PRO 11 Cb -0.14 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2r6u s PRO 11 CO -0.07 -0.24 -0.09 -0.59 0.04 0.00 0.00 177.00 176.05 2r6u s PHE 12 N -2.61 1.00 -0.15 0.56 -0.12 0.09 -4.87 117.98 111.88 2r6u s PHE 12 Ca 0.57 -0.76 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 2r6u s PHE 12 Cb -0.10 -0.55 -0.23 0.00 -0.63 0.00 0.00 43.02 41.51 2r6u s PHE 12 CO 0.33 -0.05 0.23 -0.25 -0.05 0.00 0.00 175.22 175.43 2r6u n ASP 13 N 0.25 1.55 -3.87 1.98 8.00 -1.26 -0.47 116.55 122.73 2r6u n ASP 13 Ca -0.14 0.13 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 2r6u n ASP 13 Cb 0.59 -0.33 -0.15 0.00 -0.02 0.00 0.00 41.12 41.21 2r6u n ASP 13 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2r6u s ASP 14 N -6.50 4.00 0.16 -2.24 -1.08 -1.26 -4.94 116.67 104.81 2r6u s ASP 14 Ca -0.20 -1.47 -0.15 0.00 -0.52 0.00 0.00 52.55 50.20 2r6u s ASP 14 Cb 0.07 -1.12 0.04 0.00 -1.46 0.00 0.00 42.92 40.45 2r6u s ASP 14 CO 0.74 -0.32 1.79 1.23 0.52 0.00 0.00 175.17 179.13 2r6u h GLY 15 N 7.95 0.69 0.99 2.66 0.00 -1.98 -0.41 103.07 112.96 2r6u h GLY 15 Ca -0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2r6u h GLY 15 CO 0.44 0.28 0.25 -0.55 0.00 0.00 0.00 176.54 176.96 2r6u h ASP 16 N 0.63 0.76 -0.22 0.19 3.32 -1.99 0.37 116.42 119.48 2r6u h ASP 16 Ca 0.17 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2r6u h ASP 16 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2r6u h ASP 16 CO -0.03 0.70 0.14 -0.09 -1.72 0.00 0.00 179.24 178.24 2r6u h ARG 17 N 0.77 0.29 -0.32 3.56 2.43 -1.93 -1.10 114.38 118.09 2r6u h ARG 17 Ca 0.19 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2r6u h ARG 17 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2r6u h ARG 17 CO -0.02 0.20 0.03 0.00 -1.51 0.00 0.00 179.97 178.67 2r6u h ALA 18 N 1.07 0.42 -0.53 2.80 0.00 -0.81 -0.47 119.26 121.75 2r6u h ALA 18 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2r6u h ALA 18 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2r6u h ALA 18 CO -0.02 0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.64 2r6u h ARG 19 N 0.35 0.75 -0.98 0.00 3.08 -0.89 -2.13 114.38 114.56 2r6u h ARG 19 Ca 0.09 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2r6u h ARG 19 Cb 0.39 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2r6u h ARG 19 CO 0.01 0.61 0.64 0.00 -1.07 0.00 0.00 179.97 180.17 2r6u h ALA 20 N 1.10 1.25 -0.07 0.04 0.00 -1.04 -0.34 119.26 120.20 2r6u h ALA 20 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2r6u h ALA 20 Cb 0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2r6u h ALA 20 CO -0.02 0.65 0.04 0.35 0.00 0.00 0.00 179.25 180.27 2r6u h PHE 21 N 1.34 0.08 0.03 0.00 3.57 -0.59 0.27 116.94 121.63 2r6u h PHE 21 Ca 0.36 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.63 2r6u h PHE 21 Cb -0.14 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2r6u h PHE 21 CO -0.00 0.05 -0.99 1.88 -2.23 0.00 0.00 178.31 177.02 2r6u h TYR 22 N 0.09 0.52 -0.25 0.41 0.05 -1.23 0.24 116.97 116.79 2r6u h TYR 22 Ca 0.02 -0.30 0.01 0.00 0.05 0.00 0.00 58.73 58.51 2r6u h TYR 22 Cb -0.01 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2r6u h TYR 22 CO -0.08 1.14 0.15 0.00 -1.05 0.00 0.00 178.16 178.32 2r6u h ARG 23 N 0.17 0.30 -0.28 4.88 3.08 -1.04 -1.78 114.38 119.72 2r6u h ARG 23 Ca -0.08 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2r6u h ARG 23 Cb 1.64 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.62 2r6u h ARG 23 CO 0.17 0.20 -0.49 -0.44 -1.07 0.00 0.00 179.97 178.34 2r6u h ASP 24 N 0.31 0.83 -0.11 7.04 3.32 -0.81 0.33 116.42 127.33 2r6u h ASP 24 Ca 0.10 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 2r6u h ASP 24 Cb -0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 2r6u h ASP 24 CO -0.05 1.17 -0.16 0.00 -1.72 0.00 0.00 179.24 178.49 2r6u h ALA 25 N 0.85 0.17 0.00 3.45 0.00 -0.46 -3.41 119.26 119.87 2r6u h ALA 25 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2r6u h ALA 25 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2r6u h ALA 25 CO 0.10 0.07 -0.19 1.19 0.00 0.00 0.00 179.25 180.42 2r6u n PHE 26 N -4.57 0.00 -1.20 0.00 3.72 -0.69 -5.04 117.46 109.69 2r6u n PHE 26 Ca -0.07 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2r6u n PHE 26 Cb 0.38 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2r6u n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r6u n GLY 27 N 0.94 0.38 3.71 1.37 0.00 0.11 -5.02 105.19 106.69 2r6u n GLY 27 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2r6u n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r6u n TRP 28 N -3.19 2.32 -2.83 1.61 8.01 -1.23 -4.95 117.44 117.17 2r6u n TRP 28 Ca -0.00 0.52 -0.42 0.00 -1.31 0.00 0.00 57.50 56.28 2r6u n TRP 28 Cb 0.10 -2.42 -0.04 0.00 -2.01 0.00 0.00 31.31 26.95 2r6u n TRP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2r6u s ALA 29 N -1.14 3.49 -0.14 6.99 0.00 -1.15 -4.51 121.76 125.31 2r6u s ALA 29 Ca 0.57 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2r6u s ALA 29 Cb -0.53 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.15 2r6u s ALA 29 CO 0.61 -1.37 -0.17 0.42 0.00 0.00 0.00 175.76 175.24 2r6u s ILE 30 N 3.26 1.74 -0.15 0.00 1.01 -1.26 -0.88 121.20 124.92 2r6u s ILE 30 Ca 0.37 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2r6u s ILE 30 Cb -0.13 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2r6u s ILE 30 CO 0.15 0.49 -0.15 0.00 0.00 0.00 0.00 174.94 175.42 2r6u s ALA 31 N 1.14 1.94 0.03 9.38 0.00 -0.11 -4.94 121.76 129.20 2r6u s ALA 31 Ca -0.02 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2r6u s ALA 31 Cb -0.14 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.85 2r6u s ALA 31 CO -0.06 -0.36 1.46 -1.21 0.00 0.00 0.00 175.76 175.59 2r6u s GLU 32 N 1.43 4.27 -0.62 0.00 2.02 -1.26 -0.31 118.70 124.22 2r6u s GLU 32 Ca 0.05 2.07 -0.01 0.00 0.02 0.00 0.00 54.97 57.10 2r6u s GLU 32 Cb -0.13 -3.54 0.16 0.00 0.10 0.00 0.00 34.13 30.72 2r6u s GLU 32 CO -0.11 -0.60 0.42 0.42 0.02 0.00 0.00 175.26 175.42 2r6u s ILE 33 N 2.29 3.47 0.17 -1.63 -1.09 0.08 -4.95 121.20 119.55 2r6u s ILE 33 Ca 0.66 -3.15 -0.14 0.00 -2.23 0.00 0.00 60.65 55.79 2r6u s ILE 33 Cb -0.34 -3.28 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 2r6u s ILE 33 CO 0.28 -0.88 1.76 1.55 -1.23 0.00 0.00 174.94 176.43 2r6u h PRO 34 N 6.78 0.35 -1.18 2.79 0.13 -1.94 0.04 132.00 138.98 2r6u h PRO 34 Ca -0.01 -0.02 0.40 0.00 -0.87 0.00 0.00 66.00 65.50 2r6u h PRO 34 Cb 0.92 -0.08 -0.11 0.00 0.13 0.00 0.00 31.00 31.86 2r6u h PRO 34 CO 0.71 0.23 0.76 -3.47 -0.23 0.00 0.00 178.00 176.01 2r6u n ASP 35 N -4.98 0.17 -0.12 1.44 -0.08 -1.26 -1.45 116.55 110.27 2r6u n ASP 35 Ca 0.04 1.15 0.01 0.00 -1.51 0.00 0.00 54.79 54.48 2r6u n ASP 35 Cb 0.16 -0.56 0.02 0.00 2.34 0.00 0.00 41.12 43.07 2r6u n ASP 35 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2r6u n MET 36 N -4.34 0.70 -3.79 -0.67 2.81 -0.07 -5.02 117.12 106.74 2r6u n MET 36 Ca 0.34 -1.02 -0.27 0.00 -1.81 0.00 0.00 57.70 54.95 2r6u n MET 36 Cb 1.33 -1.06 0.04 0.00 -0.71 0.00 0.00 33.22 32.83 2r6u n MET 36 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2r6u n ASP 37 N -0.00 -4.37 -3.79 7.83 2.03 -0.53 -4.97 116.55 112.75 2r6u n ASP 37 Ca 0.02 -0.73 -0.09 0.00 0.52 0.00 0.00 54.79 54.52 2r6u n ASP 37 Cb 0.15 -4.22 -0.03 0.00 -0.72 0.00 0.00 41.12 36.30 2r6u n ASP 37 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2r6u s TYR 38 N -3.37 -0.13 -0.22 -0.67 -0.85 -1.22 -4.75 117.35 106.13 2r6u s TYR 38 Ca 0.50 -0.25 -0.04 0.00 -0.52 0.00 0.00 57.07 56.76 2r6u s TYR 38 Cb -0.24 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.61 2r6u s TYR 38 CO 0.80 -1.06 -0.04 -1.12 -1.52 0.00 0.00 175.55 172.61 2r6u s SER 39 N -2.90 4.32 0.15 -0.18 0.01 -0.27 -0.74 113.70 114.10 2r6u s SER 39 Ca 0.11 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.64 2r6u s SER 39 Cb -0.03 -1.74 -0.07 0.00 0.21 0.00 0.00 66.02 64.39 2r6u s SER 39 CO 0.02 -0.03 1.13 -0.32 0.41 0.00 0.00 173.24 174.44 2r6u s MET 40 N 1.47 4.55 -0.16 12.44 1.75 0.58 -0.36 119.30 139.57 2r6u s MET 40 Ca 0.05 1.74 0.01 0.00 -1.25 0.00 0.00 55.69 56.24 2r6u s MET 40 Cb -0.14 -3.29 0.01 0.00 2.84 0.00 0.00 34.83 34.24 2r6u s MET 40 CO -0.03 -0.01 -0.18 0.08 -0.65 0.00 0.00 175.02 174.23 2r6u s VAL 41 N 0.06 2.34 -0.28 10.11 1.01 0.09 -0.94 120.40 132.81 2r6u s VAL 41 Ca 0.52 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2r6u s VAL 41 Cb -0.29 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2r6u s VAL 41 CO 0.34 0.53 0.03 -0.89 0.00 0.00 0.00 175.10 175.10 2r6u s THR 42 N 0.99 3.53 -0.30 3.92 2.01 -0.06 -1.44 115.64 124.29 2r6u s THR 42 Ca -0.02 -0.85 0.16 0.00 0.31 0.00 0.00 61.69 61.29 2r6u s THR 42 Cb -0.15 -2.82 -0.23 0.00 0.01 0.00 0.00 72.50 69.32 2r6u s THR 42 CO -0.04 0.11 0.48 0.35 -0.69 0.00 0.00 174.62 174.83 2r6u n THR 43 N 4.78 0.00 -3.90 -0.82 -2.24 -1.26 -2.91 114.28 107.93 2r6u n THR 43 Ca -0.15 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 2r6u n THR 43 Cb 0.47 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 2r6u n THR 43 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2r6u s GLY 44 N -3.39 0.26 0.52 3.38 0.00 -1.26 -5.04 107.32 101.78 2r6u s GLY 44 Ca -0.02 -0.61 -0.22 0.00 0.00 0.00 0.00 44.72 43.87 2r6u s GLY 44 CO 0.68 -0.45 1.32 2.56 0.00 0.00 0.00 173.10 177.21 2r6u s PRO 45 N -3.96 3.32 0.07 2.90 0.04 -1.26 -4.88 135.00 131.23 2r6u s PRO 45 Ca 0.17 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.41 2r6u s PRO 45 Cb -0.01 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2r6u s PRO 45 CO 0.05 -1.02 -0.14 0.14 0.04 0.00 0.00 177.00 176.07 2r6u s VAL 46 N -1.34 1.10 0.00 -0.36 -7.23 -1.26 -1.70 120.40 109.61 2r6u s VAL 46 Ca 0.69 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2r6u s VAL 46 Cb -0.38 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2r6u s VAL 46 CO 0.46 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 2r6u n GLY 47 N 1.34 -0.42 0.21 2.32 0.00 0.40 -4.75 105.19 104.29 2r6u n GLY 47 Ca -0.21 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.11 2r6u n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2r6u h GLU 48 N 0.00 0.00 -0.06 1.61 4.57 -2.01 -1.94 114.58 116.76 2r6u h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2r6u h GLU 48 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2r6u h GLU 48 CO 0.00 0.27 0.00 -1.13 -1.18 0.00 0.00 179.01 176.97 2r6u n SER 49 N -4.10 0.80 0.00 1.04 3.41 -1.26 -4.90 113.62 108.60 2r6u n SER 49 Ca -0.02 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 2r6u n SER 49 Cb 0.33 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2r6u n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r6u n GLY 50 N 1.00 0.75 3.94 5.00 0.00 -0.73 -5.05 105.19 110.10 2r6u n GLY 50 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2r6u n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r6u s MET 51 N -0.25 3.47 0.24 1.61 -1.94 -1.26 -4.76 119.30 116.40 2r6u s MET 51 Ca 0.00 -0.50 -0.31 0.00 -1.71 0.00 0.00 55.69 53.17 2r6u s MET 51 Cb 0.00 -2.94 -0.14 0.00 2.01 0.00 0.00 34.83 33.76 2r6u s MET 51 CO 0.00 0.49 1.28 -2.30 -0.01 0.00 0.00 175.02 174.49 2r6u n PRO 52 N -0.49 1.72 -0.12 2.03 -0.02 -1.26 -0.45 135.00 136.41 2r6u n PRO 52 Ca -0.06 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 2r6u n PRO 52 Cb 0.54 -2.18 0.12 0.00 -0.02 0.00 0.00 33.50 31.95 2r6u n PRO 52 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2r6u n ASP 53 N 1.89 2.60 -4.07 2.55 5.75 -0.69 -4.69 116.55 119.89 2r6u n ASP 53 Ca 0.12 -1.84 -0.12 0.00 -0.01 0.00 0.00 54.79 52.94 2r6u n ASP 53 Cb 0.30 -0.16 -0.11 0.00 -1.03 0.00 0.00 41.12 40.12 2r6u n ASP 53 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2r6u s GLU 54 N -0.97 0.55 0.64 0.11 2.02 -1.26 -4.98 118.70 114.80 2r6u s GLU 54 Ca 0.20 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 2r6u s GLU 54 Cb 0.11 -0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 2r6u s GLU 54 CO 0.15 0.04 1.04 -2.14 0.02 0.00 0.00 175.26 174.36 2r6u s PRO 55 N -1.84 3.37 0.00 0.39 0.02 -1.26 -4.60 135.00 131.08 2r6u s PRO 55 Ca -0.08 0.87 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2r6u s PRO 55 Cb -0.08 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2r6u s PRO 55 CO -0.00 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 2r6u n GLY 56 N -2.26 0.98 3.50 0.52 0.00 -1.26 -5.08 105.19 101.59 2r6u n GLY 56 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2r6u n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r6u s TYR 57 N -2.00 -0.01 0.12 1.61 -0.85 -1.26 -5.18 117.35 109.78 2r6u s TYR 57 Ca 0.00 -0.34 0.06 0.00 -0.52 0.00 0.00 57.07 56.27 2r6u s TYR 57 Cb 0.00 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 2r6u s TYR 57 CO 0.00 -0.90 -0.14 0.96 -1.52 0.00 0.00 175.55 173.95 2r6u s ILE 58 N -3.90 1.32 0.65 -3.49 -4.36 -1.26 -4.96 121.20 105.20 2r6u s ILE 58 Ca 0.11 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.84 2r6u s ILE 58 Cb -0.00 -1.52 0.11 0.00 1.25 0.00 0.00 42.46 42.29 2r6u s ILE 58 CO -0.01 -0.42 0.89 0.20 0.24 0.00 0.00 174.94 175.84 2r6u s ASN 59 N -2.44 4.72 0.00 4.36 0.01 -1.26 -4.57 114.94 115.75 2r6u s ASN 59 Ca 0.09 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.58 2r6u s ASN 59 Cb -0.05 0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.82 2r6u s ASN 59 CO 0.03 -1.61 0.00 0.61 -1.51 0.00 0.00 177.10 174.62 2r6u n GLY 60 N -2.53 2.88 3.37 0.66 0.00 -0.52 -3.03 105.19 106.02 2r6u n GLY 60 Ca 0.16 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2r6u n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r6u s GLY 61 N -0.07 -0.00 0.01 -0.02 0.00 -0.16 -0.73 107.32 106.35 2r6u s GLY 61 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.40 2r6u s GLY 61 CO 0.00 -0.47 -0.14 1.06 0.00 0.00 0.00 173.10 173.55 2r6u s MET 62 N -3.87 1.01 0.05 2.90 -1.94 0.51 -1.10 119.30 116.87 2r6u s MET 62 Ca 0.08 -0.61 -0.09 0.00 -1.71 0.00 0.00 55.69 53.35 2r6u s MET 62 Cb 0.02 -1.00 0.00 0.00 2.01 0.00 0.00 34.83 35.86 2r6u s MET 62 CO -0.06 0.26 0.20 -1.64 -0.01 0.00 0.00 175.02 173.77 2r6u s MET 63 N -0.71 0.74 0.18 2.03 -1.94 -0.94 -1.11 119.30 117.54 2r6u s MET 63 Ca 0.03 -0.71 -0.32 0.00 -1.71 0.00 0.00 55.69 52.98 2r6u s MET 63 Cb -0.06 0.30 -0.11 0.00 2.01 0.00 0.00 34.83 36.97 2r6u s MET 63 CO 0.00 -0.22 1.71 -1.14 -0.01 0.00 0.00 175.02 175.36 2r6u s GLN 64 N -2.91 4.15 0.28 2.03 2.00 -1.26 -0.73 119.66 123.21 2r6u s GLN 64 Ca -0.02 2.55 -0.30 0.00 -2.00 0.00 0.00 55.36 55.58 2r6u s GLN 64 Cb 0.01 -3.19 -0.12 0.00 0.80 0.00 0.00 33.01 30.50 2r6u s GLN 64 CO -0.06 -0.74 1.57 -2.13 -0.50 0.00 0.00 175.29 173.44 2r6u n ARG 65 N 4.32 2.58 0.00 1.67 0.63 0.38 -4.58 116.66 121.66 2r6u n ARG 65 Ca 0.16 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 2r6u n ARG 65 Cb 0.36 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.59 2r6u n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2r6u n GLY 66 N 2.32 -1.75 0.29 5.14 0.00 -1.26 -4.92 105.19 105.00 2r6u n GLY 66 Ca 0.10 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.67 2r6u n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2r6u h GLU 67 N 0.00 0.75 -4.87 1.61 4.81 -2.00 -3.37 114.58 111.51 2r6u h GLU 67 Ca 0.00 -0.18 -0.66 0.00 -0.13 0.00 0.00 59.36 58.39 2r6u h GLU 67 Cb 0.00 -0.10 -0.22 0.00 0.63 0.00 0.00 28.75 29.06 2r6u h GLU 67 CO 0.00 0.74 -0.59 0.08 -0.73 0.00 0.00 179.01 178.51 2r6u s VAL 68 N -5.03 4.46 -0.06 0.32 1.01 -1.26 -4.97 120.40 114.87 2r6u s VAL 68 Ca -0.09 -0.29 0.16 0.00 0.00 0.00 0.00 61.98 61.75 2r6u s VAL 68 Cb 0.15 -3.18 -0.24 0.00 0.00 0.00 0.00 36.38 33.11 2r6u s VAL 68 CO 0.80 0.21 0.27 0.35 0.00 0.00 0.00 175.10 176.73 2r6u n THR 69 N 4.95 0.29 -4.17 3.92 -2.24 -1.26 -4.40 114.28 111.37 2r6u n THR 69 Ca -0.15 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 2r6u n THR 69 Cb 0.50 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 2r6u n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r6u s THR 70 N -2.92 0.03 0.36 4.28 -4.23 -1.26 -4.93 115.64 106.97 2r6u s THR 70 Ca -0.06 -1.92 -0.27 0.00 -1.18 0.00 0.00 61.69 58.26 2r6u s THR 70 Cb 0.09 -2.34 -0.12 0.00 1.34 0.00 0.00 72.50 71.47 2r6u s THR 70 CO 0.66 -0.13 1.14 -2.65 -0.54 0.00 0.00 174.62 173.09 2r6u n PRO 71 N -0.23 1.68 -4.63 3.99 -0.02 -1.26 -4.65 135.00 129.89 2r6u n PRO 71 Ca -0.01 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.84 2r6u n PRO 71 Cb 0.65 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 2r6u n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2r6u s VAL 72 N -1.15 1.13 0.04 -1.45 1.01 -0.43 -4.98 120.40 114.57 2r6u s VAL 72 Ca 0.59 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2r6u s VAL 72 Cb -0.59 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2r6u s VAL 72 CO 0.60 0.34 0.19 0.68 0.00 0.00 0.00 175.10 176.90 2r6u s VAL 73 N 0.09 5.30 -0.14 2.92 -7.23 -1.26 -0.44 120.40 119.63 2r6u s VAL 73 Ca -0.03 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2r6u s VAL 73 Cb -0.10 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 2r6u s VAL 73 CO 0.01 0.19 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.96 2r6u s THR 74 N -1.44 2.85 -0.19 5.32 2.01 -0.24 -1.20 115.64 122.75 2r6u s THR 74 Ca 0.32 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 2r6u s THR 74 Cb -0.13 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2r6u s THR 74 CO 0.25 0.52 0.29 -0.69 -0.69 0.00 0.00 174.62 174.29 2r6u s VAL 75 N 0.59 5.29 0.08 3.82 1.01 0.03 -1.68 120.40 129.54 2r6u s VAL 75 Ca -0.08 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2r6u s VAL 75 Cb -0.16 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2r6u s VAL 75 CO 0.03 0.34 1.13 -0.62 0.00 0.00 0.00 175.10 175.99 2r6u s ASP 76 N 0.74 7.18 0.03 3.32 -1.08 0.36 -1.14 116.67 126.08 2r6u s ASP 76 Ca 0.15 1.96 0.03 0.00 -0.52 0.00 0.00 52.55 54.17 2r6u s ASP 76 Cb -0.13 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 2r6u s ASP 76 CO 0.05 -0.37 -0.09 0.68 0.52 0.00 0.00 175.17 175.96 2r6u s VAL 77 N 0.73 0.71 0.36 1.11 -7.23 0.04 -0.24 120.40 115.88 2r6u s VAL 77 Ca 0.55 -0.79 0.19 0.00 -1.81 0.00 0.00 61.98 60.12 2r6u s VAL 77 Cb -0.28 -0.67 0.18 0.00 0.56 0.00 0.00 36.38 36.17 2r6u s VAL 77 CO 0.30 -0.09 1.91 -0.33 -0.31 0.00 0.00 175.10 176.59 2r6u h GLU 78 N 5.12 0.00 -2.65 4.82 4.39 -1.85 -3.38 114.58 121.03 2r6u h GLU 78 Ca -0.34 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.21 2r6u h GLU 78 Cb 1.19 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.54 2r6u h GLU 78 CO 0.45 0.26 -0.44 0.45 -1.16 0.00 0.00 179.01 178.57 2r6u s SER 79 N -6.61 0.03 0.30 1.42 0.15 -1.26 -4.90 113.70 102.83 2r6u s SER 79 Ca -0.02 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 2r6u s SER 79 Cb 0.14 1.06 0.44 0.00 -1.71 0.00 0.00 66.02 65.95 2r6u s SER 79 CO 0.67 -0.24 1.90 0.40 1.20 0.00 0.00 173.24 177.17 2r6u h ILE 80 N 6.22 1.21 -0.39 6.45 2.04 -1.92 -1.93 117.51 129.20 2r6u h ILE 80 Ca -0.15 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2r6u h ILE 80 Cb 1.11 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2r6u h ILE 80 CO 0.13 0.25 0.18 -0.33 0.00 0.00 0.00 178.15 178.38 2r6u h GLU 81 N 0.91 0.56 -0.64 2.37 5.08 -1.99 0.31 114.58 121.19 2r6u h GLU 81 Ca 0.22 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2r6u h GLU 81 Cb 0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2r6u h GLU 81 CO -0.03 0.50 0.18 0.77 -1.00 0.00 0.00 179.01 179.43 2r6u h SER 82 N 0.49 0.93 -0.07 1.42 0.02 -1.94 -0.89 113.55 113.51 2r6u h SER 82 Ca 0.13 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2r6u h SER 82 Cb 0.13 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2r6u h SER 82 CO -0.02 0.89 0.04 0.00 -1.14 0.00 0.00 176.83 176.61 2r6u h ALA 83 N 1.23 0.09 -0.21 3.77 0.00 -1.07 -2.93 119.26 120.14 2r6u h ALA 83 Ca 0.21 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2r6u h ALA 83 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2r6u h ALA 83 CO -0.00 -0.37 -0.23 -0.07 0.00 0.00 0.00 179.25 178.58 2r6u h LEU 84 N 0.03 0.37 -0.42 0.00 3.38 -0.63 0.05 115.31 118.10 2r6u h LEU 84 Ca 0.03 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2r6u h LEU 84 Cb 0.07 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2r6u h LEU 84 CO -0.00 0.61 0.01 -0.33 0.09 0.00 0.00 178.44 178.81 2r6u h GLU 85 N 0.34 0.12 -0.21 1.13 5.08 -1.10 -0.07 114.58 119.87 2r6u h GLU 85 Ca 0.06 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2r6u h GLU 85 Cb 0.59 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2r6u h GLU 85 CO 0.04 0.08 -0.23 0.00 -1.00 0.00 0.00 179.01 177.90 2r6u h ARG 86 N 0.12 0.52 -0.39 2.33 3.08 -1.19 -3.06 114.38 115.79 2r6u h ARG 86 Ca 0.21 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2r6u h ARG 86 Cb 0.30 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2r6u h ARG 86 CO -0.34 0.87 0.20 0.82 -1.07 0.00 0.00 179.97 180.44 2r6u h ILE 87 N 0.20 0.98 0.00 2.04 2.04 -0.79 -1.29 117.51 120.69 2r6u h ILE 87 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2r6u h ILE 87 Cb 0.78 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2r6u h ILE 87 CO 0.06 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 177.66 2r6u n GLU 88 N -4.92 0.21 0.06 2.37 -0.58 -0.06 0.16 120.64 117.88 2r6u n GLU 88 Ca 0.01 0.42 0.13 0.00 -0.42 0.00 0.00 57.16 57.31 2r6u n GLU 88 Cb 0.09 -1.88 0.43 0.00 -0.57 0.00 0.00 31.44 29.51 2r6u n GLU 88 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2r6u n SER 89 N -2.27 0.55 -0.77 1.62 7.64 -0.50 -4.42 113.62 115.47 2r6u n SER 89 Ca 0.02 0.44 0.03 0.00 1.01 0.00 0.00 58.87 60.37 2r6u n SER 89 Cb 0.24 -0.52 0.20 0.00 -1.01 0.00 0.00 64.21 63.12 2r6u n SER 89 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2r6u n LEU 90 N -1.98 3.11 -4.46 -3.43 4.77 -0.57 -4.86 117.00 109.58 2r6u n LEU 90 Ca 0.06 -3.90 -0.43 0.00 -0.03 0.00 0.00 56.01 51.70 2r6u n LEU 90 Cb 0.40 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2r6u n LEU 90 CO 0.30 1.40 0.56 -0.83 -1.33 0.00 0.00 177.39 177.49 2r6u s GLY 91 N -3.08 1.58 0.87 -0.72 0.00 -1.26 -4.37 107.32 100.34 2r6u s GLY 91 Ca 0.40 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.27 2r6u s GLY 91 CO -0.05 1.79 1.24 -0.32 0.00 0.00 0.00 173.10 175.75 2r6u s GLY 92 N 3.13 1.67 -0.02 0.20 0.00 0.43 -4.57 107.32 108.15 2r6u s GLY 92 Ca 0.20 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 44.11 2r6u s GLY 92 CO 0.12 -0.26 -0.19 0.54 0.00 0.00 0.00 173.10 173.31 2r6u s LYS 93 N -5.70 1.69 -0.11 2.90 1.02 -0.82 -4.14 119.74 114.59 2r6u s LYS 93 Ca 0.67 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 2r6u s LYS 93 Cb -0.08 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 2r6u s LYS 93 CO 0.51 0.38 1.28 0.99 -0.92 0.00 0.00 175.35 177.58 2r6u s THR 94 N -0.33 4.18 -0.21 2.17 2.01 -1.26 -0.14 115.64 122.06 2r6u s THR 94 Ca 0.04 1.47 -0.19 0.00 0.31 0.00 0.00 61.69 63.32 2r6u s THR 94 Cb -0.09 -3.95 -0.19 0.00 0.01 0.00 0.00 72.50 68.29 2r6u s THR 94 CO 0.00 -0.08 0.16 0.52 -0.69 0.00 0.00 174.62 174.53 2r6u n VAL 95 N 5.08 1.55 -4.07 3.82 0.31 0.16 -4.93 118.33 120.25 2r6u n VAL 95 Ca 0.13 -0.12 -0.17 0.00 -0.01 0.00 0.00 64.34 64.17 2r6u n VAL 95 Cb 0.45 -1.99 -0.15 0.00 -0.91 0.00 0.00 33.84 31.23 2r6u n VAL 95 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2r6u s THR 96 N -2.40 0.34 0.95 2.52 -4.23 -0.78 -4.97 115.64 107.07 2r6u s THR 96 Ca -0.30 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.96 2r6u s THR 96 Cb 0.07 -0.35 0.22 0.00 1.34 0.00 0.00 72.50 73.79 2r6u s THR 96 CO 0.59 0.14 1.18 0.61 -0.54 0.00 0.00 174.62 176.60 2r6u n GLY 97 N 3.56 -1.75 3.66 3.99 0.00 -1.26 -1.65 105.19 111.74 2r6u n GLY 97 Ca -0.20 -1.66 -0.50 0.00 0.00 0.00 0.00 46.02 43.66 2r6u n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r6u n ARG 98 N -3.81 1.77 -3.83 1.61 0.63 -1.26 -4.42 116.66 107.35 2r6u n ARG 98 Ca 0.15 0.64 -0.17 0.00 -0.92 0.00 0.00 57.85 57.55 2r6u n ARG 98 Cb 0.53 -2.39 -0.17 0.00 0.45 0.00 0.00 32.46 30.89 2r6u n ARG 98 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2r6u s THR 99 N 2.18 0.08 0.35 5.15 2.01 -0.01 -4.94 115.64 120.45 2r6u s THR 99 Ca 0.87 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.77 2r6u s THR 99 Cb -0.81 -0.22 -0.10 0.00 0.01 0.00 0.00 72.50 71.38 2r6u s THR 99 CO 0.49 0.14 1.36 -2.16 -0.69 0.00 0.00 174.62 173.76 2r6u s PRO 100 N 1.29 4.24 -0.33 4.92 0.04 -1.26 -0.66 135.00 143.23 2r6u s PRO 100 Ca -0.06 2.32 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2r6u s PRO 100 Cb -0.13 -3.01 0.09 0.00 0.04 0.00 0.00 34.50 31.49 2r6u s PRO 100 CO -0.03 -0.33 0.05 0.08 0.04 0.00 0.00 177.00 176.81 2r6u s VAL 101 N -1.15 2.56 0.00 -0.36 1.01 0.43 -4.84 120.40 118.06 2r6u s VAL 101 Ca 0.51 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2r6u s VAL 101 Cb -0.42 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2r6u s VAL 101 CO 0.56 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2r6u n GLY 102 N 4.40 1.84 1.40 4.51 0.00 -1.26 -1.93 105.19 114.16 2r6u n GLY 102 Ca -0.03 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.73 2r6u n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r6u n ASN 103 N -1.11 4.37 -0.00 1.61 0.23 -1.26 -4.58 115.26 114.52 2r6u n ASN 103 Ca 0.00 -2.34 -0.04 0.00 -0.53 0.00 0.00 54.58 51.67 2r6u n ASN 103 Cb 0.00 -0.52 -0.11 0.00 -2.08 0.00 0.00 39.78 37.06 2r6u n ASN 103 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2r6u n MET 104 N 1.08 0.63 -0.66 -3.83 2.81 -0.81 -4.81 117.12 111.53 2r6u n MET 104 Ca 0.24 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 2r6u n MET 104 Cb 0.79 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2r6u n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2r6u n GLY 105 N 1.49 -0.56 2.98 3.03 0.00 -1.18 -1.73 105.19 109.21 2r6u n GLY 105 Ca -0.14 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 2r6u n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r6u s PHE 106 N -3.82 0.09 0.18 1.61 0.08 0.24 -0.43 117.98 115.93 2r6u s PHE 106 Ca 0.00 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 56.94 2r6u s PHE 106 Cb 0.00 -0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 2r6u s PHE 106 CO 0.00 -0.14 -0.16 0.00 -0.10 0.00 0.00 175.22 174.83 2r6u s ALA 107 N -0.83 1.96 0.19 5.36 0.00 0.16 -0.64 121.76 127.96 2r6u s ALA 107 Ca -0.09 -1.57 -0.16 0.00 0.00 0.00 0.00 51.96 50.14 2r6u s ALA 107 Cb -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2r6u s ALA 107 CO -0.00 0.12 0.48 0.00 0.00 0.00 0.00 175.76 176.36 2r6u s ALA 108 N -2.60 -0.81 0.01 0.00 0.00 -0.98 -0.83 121.76 116.55 2r6u s ALA 108 Ca 0.19 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2r6u s ALA 108 Cb -0.03 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2r6u s ALA 108 CO 0.06 -0.77 -0.10 0.71 0.00 0.00 0.00 175.76 175.67 2r6u s TYR 109 N -3.88 0.84 0.13 0.00 2.02 -0.66 -0.46 117.35 115.35 2r6u s TYR 109 Ca 0.10 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.51 2r6u s TYR 109 Cb -0.00 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.01 2r6u s TYR 109 CO -0.03 -0.01 0.15 -0.59 -1.57 0.00 0.00 175.55 173.50 2r6u s PHE 110 N -0.52 0.59 -0.10 2.71 -0.12 -0.32 -0.67 117.98 119.55 2r6u s PHE 110 Ca 0.01 -0.98 -0.04 0.00 -0.05 0.00 0.00 56.93 55.87 2r6u s PHE 110 Cb -0.05 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 2r6u s PHE 110 CO 0.00 -0.59 0.06 0.95 -0.05 0.00 0.00 175.22 175.59 2r6u s THR 111 N -3.99 4.80 0.61 -4.49 -4.23 0.81 -0.85 115.64 108.29 2r6u s THR 111 Ca 0.18 -0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 2r6u s THR 111 Cb 0.06 -3.05 0.14 0.00 1.34 0.00 0.00 72.50 70.98 2r6u s THR 111 CO -0.01 0.61 0.83 -0.90 -0.54 0.00 0.00 174.62 174.61 2r6u n ASP 112 N 2.13 0.08 0.18 3.99 5.68 -0.18 -1.94 116.55 126.49 2r6u n ASP 112 Ca -0.19 -1.31 0.13 0.00 -0.50 0.00 0.00 54.79 52.92 2r6u n ASP 112 Cb 0.54 -0.63 0.64 0.00 -1.14 0.00 0.00 41.12 40.53 2r6u n ASP 112 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2r6u h SER 113 N -1.09 0.00 -0.37 -1.12 4.64 -1.81 -1.80 113.55 112.01 2r6u h SER 113 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2r6u h SER 113 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2r6u h SER 113 CO 0.19 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.53 2r6u n GLU 114 N -2.40 2.35 -0.56 4.77 -0.58 -1.26 -4.94 120.64 118.03 2r6u n GLU 114 Ca -0.01 -2.10 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 2r6u n GLU 114 Cb 0.10 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2r6u n GLU 114 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r6u n GLY 115 N 1.07 1.00 3.74 0.62 0.00 -0.68 -5.03 105.19 105.90 2r6u n GLY 115 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2r6u n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r6u s ASN 116 N -3.05 7.44 0.01 1.61 0.02 -1.26 -4.69 114.94 115.02 2r6u s ASN 116 Ca 0.00 1.99 -0.30 0.00 -1.02 0.00 0.00 52.86 53.53 2r6u s ASN 116 Cb 0.00 -2.60 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 2r6u s ASN 116 CO 0.00 -0.06 0.99 -0.69 0.02 0.00 0.00 177.10 177.36 2r6u s VAL 117 N -0.53 4.81 0.04 1.60 1.01 -1.26 -1.01 120.40 125.05 2r6u s VAL 117 Ca 0.46 2.02 0.03 0.00 0.00 0.00 0.00 61.98 64.49 2r6u s VAL 117 Cb -0.27 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2r6u s VAL 117 CO 0.33 0.16 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 2r6u s VAL 118 N 0.98 0.61 0.22 2.92 1.01 -0.03 -4.69 120.40 121.42 2r6u s VAL 118 Ca 0.52 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2r6u s VAL 118 Cb -0.22 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2r6u s VAL 118 CO 0.28 -0.27 0.36 -0.83 0.00 0.00 0.00 175.10 174.63 2r6u s GLY 119 N -1.36 1.41 0.08 4.51 0.00 -0.34 -1.18 107.32 110.44 2r6u s GLY 119 Ca -0.07 -1.12 0.09 0.00 0.00 0.00 0.00 44.72 43.62 2r6u s GLY 119 CO 0.01 -1.12 -0.24 1.08 0.00 0.00 0.00 173.10 172.83 2r6u s LEU 120 N -3.74 2.24 -0.04 0.66 1.43 0.39 -0.79 118.68 118.84 2r6u s LEU 120 Ca 0.35 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2r6u s LEU 120 Cb -0.10 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2r6u s LEU 120 CO 0.29 0.17 -0.04 0.86 0.23 0.00 0.00 176.35 177.86 2r6u s TRP 121 N -0.96 0.67 -0.15 0.29 -0.11 -0.29 -2.31 118.94 116.08 2r6u s TRP 121 Ca 0.10 -0.17 0.01 0.00 1.22 0.00 0.00 56.10 57.27 2r6u s TRP 121 Cb -0.10 -0.59 0.02 0.00 -1.50 0.00 0.00 33.47 31.30 2r6u s TRP 121 CO 0.04 -0.15 -0.18 -2.00 -4.62 0.00 0.00 176.95 170.03 2r6u s GLU 122 N 0.75 2.66 0.29 5.86 2.12 0.19 -0.78 118.70 129.79 2r6u s GLU 122 Ca -0.10 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 2r6u s GLU 122 Cb -0.13 -2.29 -0.10 0.00 0.26 0.00 0.00 34.13 31.88 2r6u s GLU 122 CO 0.00 -0.15 1.12 0.99 -0.54 0.00 0.00 175.26 176.68 2r6u s THR 123 N 1.20 3.40 0.31 -1.70 2.01 -1.26 -0.59 115.64 119.01 2r6u s THR 123 Ca 0.01 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 2r6u s THR 123 Cb -0.14 -3.88 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 2r6u s THR 123 CO -0.08 0.32 1.42 0.00 -0.69 0.00 0.00 174.62 175.59 2r6u s ALA 124 N -1.18 3.58 -1.19 7.40 0.00 -0.70 -4.88 121.76 124.79 2r6u s ALA 124 Ca 0.46 1.39 0.10 0.00 0.00 0.00 0.00 51.96 53.90 2r6u s ALA 124 Cb -0.32 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.32 2r6u s ALA 124 CO 0.42 -0.81 0.80 0.54 0.00 0.00 0.00 175.76 176.71