#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6u s TYR -3 N 0.00 0.10 0.35 1.96 1.13 -1.26 -5.19 117.35 114.43 2r6u s TYR -3 Ca 0.00 -0.46 0.03 0.00 -1.41 0.00 0.00 57.07 55.24 2r6u s TYR -3 Cb 0.00 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 2r6u s TYR -3 CO 0.00 -0.90 0.10 -0.06 -2.51 0.00 0.00 175.55 172.17 2r6u s PHE -2 N -3.93 1.80 -1.07 -3.49 0.08 -1.26 -5.06 117.98 105.06 2r6u s PHE -2 Ca 0.14 -1.15 -0.22 0.00 0.12 0.00 0.00 56.93 55.82 2r6u s PHE -2 Cb -0.00 -1.15 0.05 0.00 -0.57 0.00 0.00 43.02 41.35 2r6u s PHE -2 CO 0.01 -0.20 1.52 -0.65 -0.10 0.00 0.00 175.22 175.80 2r6u s GLN -1 N -3.84 3.62 5.44 0.44 -0.21 -1.26 -4.88 119.66 118.97 2r6u s GLN -1 Ca 0.32 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.44 2r6u s GLN -1 Cb 0.06 -5.38 0.00 0.00 1.00 0.00 0.00 33.01 28.69 2r6u s GLN -1 CO 0.15 -2.27 0.00 0.41 -2.12 0.00 0.00 175.29 171.46 2r6u n GLY 0 N 6.60 2.42 1.34 3.09 0.00 -1.26 -1.93 105.19 115.44 2r6u n GLY 0 Ca 0.36 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 10.76 3.04 -2.50 1.61 2.81 -1.26 -4.96 117.12 126.61 2r6u n MET 1 Ca 0.00 -2.44 -0.23 0.00 -1.81 0.00 0.00 57.70 53.22 2r6u n MET 1 Cb 0.00 -1.69 0.07 0.00 -0.71 0.00 0.00 33.22 30.89 2r6u n MET 1 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2r6u s THR 2 N -1.54 2.40 0.00 2.03 -4.23 -0.81 -4.56 115.64 108.92 2r6u s THR 2 Ca 0.44 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2r6u s THR 2 Cb 0.26 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2r6u s THR 2 CO 0.25 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2r6u n GLY 3 N -2.66 0.83 3.77 3.99 0.00 0.17 -4.50 105.19 106.79 2r6u n GLY 3 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.57 4.25 -0.44 1.61 0.52 -1.25 -4.68 118.95 118.39 2r6u s ARG 4 Ca 0.00 1.62 -0.28 0.00 -0.52 0.00 0.00 55.73 56.55 2r6u s ARG 4 Cb 0.00 -2.70 0.03 0.00 0.52 0.00 0.00 34.95 32.79 2r6u s ARG 4 CO 0.00 -0.09 1.07 0.42 0.02 0.00 0.00 175.30 176.72 2r6u s ILE 5 N -1.51 4.34 -0.03 1.52 -1.09 -1.26 -1.10 121.20 122.07 2r6u s ILE 5 Ca 0.55 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2r6u s ILE 5 Cb -0.25 -4.52 -0.00 0.00 -1.58 0.00 0.00 42.46 36.10 2r6u s ILE 5 CO 0.32 -0.86 0.23 1.33 -1.23 0.00 0.00 174.94 174.73 2r6u n VAL 6 N 6.54 0.00 -3.49 2.92 0.24 -0.73 -4.96 118.33 118.86 2r6u n VAL 6 Ca 0.10 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 2r6u n VAL 6 Cb 0.49 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 -0.60 -0.45 0.07 6.34 5.65 -1.25 -4.50 115.29 120.55 2r6u s HIS 7 Ca 0.00 0.41 -0.00 0.00 0.25 0.00 0.00 55.06 55.72 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 0.01 -0.63 -0.03 -0.59 -0.65 0.00 0.00 174.74 172.85 2r6u s PHE 8 N -2.87 0.68 -0.03 3.88 -0.12 -1.19 -1.16 117.98 117.16 2r6u s PHE 8 Ca 0.01 -1.03 0.02 0.00 -0.05 0.00 0.00 56.93 55.88 2r6u s PHE 8 Cb -0.01 -0.44 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 2r6u s PHE 8 CO -0.07 -0.31 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.51 2r6u s GLU 9 N -3.90 0.84 -0.20 1.99 2.02 0.18 -0.98 118.70 118.64 2r6u s GLU 9 Ca 0.10 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 2r6u s GLU 9 Cb 0.07 -0.80 0.01 0.00 0.10 0.00 0.00 34.13 33.50 2r6u s GLU 9 CO -0.07 0.03 -0.11 0.42 0.02 0.00 0.00 175.26 175.55 2r6u s ILE 10 N 0.45 2.74 0.50 -1.63 1.01 -0.35 -1.32 121.20 122.61 2r6u s ILE 10 Ca -0.06 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 2r6u s ILE 10 Cb -0.10 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.07 2r6u s ILE 10 CO 0.00 0.46 0.96 -2.16 0.00 0.00 0.00 174.94 174.20 2r6u s PRO 11 N 1.38 3.92 0.11 2.79 0.04 -1.26 -2.28 135.00 139.70 2r6u s PRO 11 Ca 0.05 0.89 0.02 0.00 0.04 0.00 0.00 61.00 62.00 2r6u s PRO 11 Cb -0.14 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2r6u s PRO 11 CO -0.08 -0.25 -0.07 -0.59 0.04 0.00 0.00 177.00 176.05 2r6u s PHE 12 N -2.61 0.98 -0.21 0.56 -0.12 0.11 -4.86 117.98 111.83 2r6u s PHE 12 Ca 0.58 -0.88 0.12 0.00 -0.05 0.00 0.00 56.93 56.70 2r6u s PHE 12 Cb -0.10 -0.55 -0.22 0.00 -0.63 0.00 0.00 43.02 41.52 2r6u s PHE 12 CO 0.32 -0.10 0.00 -0.25 -0.05 0.00 0.00 175.22 175.15 2r6u n ASP 13 N -0.08 0.74 -3.84 1.98 8.00 -1.26 -0.74 116.55 121.35 2r6u n ASP 13 Ca -0.12 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 2r6u n ASP 13 Cb 0.61 0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 41.99 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 -5.89 3.72 0.19 -2.24 -1.08 -1.26 -4.97 116.67 105.14 2r6u s ASP 14 Ca -0.18 -1.27 -0.12 0.00 -0.52 0.00 0.00 52.55 50.45 2r6u s ASP 14 Cb 0.07 -0.98 0.11 0.00 -1.46 0.00 0.00 42.92 40.66 2r6u s ASP 14 CO 0.75 -0.31 1.85 1.23 0.52 0.00 0.00 175.17 179.21 2r6u h GLY 15 N 8.04 0.86 1.16 2.66 0.00 -1.98 -0.20 103.07 113.61 2r6u h GLY 15 Ca -0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 2r6u h GLY 15 CO 0.41 0.29 0.05 -0.55 0.00 0.00 0.00 176.54 176.75 2r6u h ASP 16 N 0.80 0.98 -0.21 0.19 3.32 -1.99 0.50 116.42 120.01 2r6u h ASP 16 Ca 0.23 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2r6u h ASP 16 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2r6u h ASP 16 CO -0.06 1.00 0.04 -0.09 -1.72 0.00 0.00 179.24 178.41 2r6u h ARG 17 N 0.94 0.34 -0.46 3.56 2.43 -1.94 -1.93 114.38 117.32 2r6u h ARG 17 Ca 0.18 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2r6u h ARG 17 Cb 0.48 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2r6u h ARG 17 CO 0.02 0.48 0.05 0.00 -1.51 0.00 0.00 179.97 179.01 2r6u h ALA 18 N 0.85 0.61 -0.54 2.80 0.00 -0.74 -0.07 119.26 122.16 2r6u h ALA 18 Ca 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2r6u h ALA 18 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2r6u h ALA 18 CO 0.00 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.74 2r6u h ARG 19 N 0.64 0.87 -0.85 0.00 3.08 -0.92 -2.23 114.38 114.97 2r6u h ARG 19 Ca 0.14 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2r6u h ARG 19 Cb 0.42 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2r6u h ARG 19 CO 0.01 0.82 0.43 0.00 -1.07 0.00 0.00 179.97 180.17 2r6u h ALA 20 N 1.01 1.16 -0.35 0.04 0.00 -1.10 -0.86 119.26 119.16 2r6u h ALA 20 Ca 0.17 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2r6u h ALA 20 Cb 0.35 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2r6u h ALA 20 CO 0.00 0.65 0.13 0.35 0.00 0.00 0.00 179.25 180.38 2r6u h PHE 21 N 1.20 0.23 0.03 0.00 3.57 -0.55 0.75 116.94 122.17 2r6u h PHE 21 Ca 0.30 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.55 2r6u h PHE 21 Cb 0.08 -0.05 0.02 0.00 2.79 0.00 0.00 35.95 38.79 2r6u h PHE 21 CO 0.01 0.10 -1.07 1.88 -2.23 0.00 0.00 178.31 177.00 2r6u h TYR 22 N 0.28 0.89 -0.65 0.41 0.05 -1.22 0.22 116.97 116.95 2r6u h TYR 22 Ca 0.16 -0.51 0.07 0.00 0.05 0.00 0.00 58.73 58.50 2r6u h TYR 22 Cb 0.13 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.72 2r6u h TYR 22 CO -0.14 1.34 0.33 0.00 -1.05 0.00 0.00 178.16 178.65 2r6u h ARG 23 N 0.31 0.59 -0.01 4.88 3.08 -1.06 -2.16 114.38 120.01 2r6u h ARG 23 Ca -0.13 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.69 2r6u h ARG 23 Cb 1.72 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 31.65 2r6u h ARG 23 CO 0.20 0.39 -0.77 -0.44 -1.07 0.00 0.00 179.97 178.28 2r6u h ASP 24 N 0.61 0.69 -0.40 7.04 3.32 -0.71 -0.14 116.42 126.84 2r6u h ASP 24 Ca 0.30 -0.74 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 2r6u h ASP 24 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2r6u h ASP 24 CO -0.21 1.35 -0.08 0.00 -1.72 0.00 0.00 179.24 178.58 2r6u h ALA 25 N 0.36 0.55 0.00 3.45 0.00 -0.53 -3.39 119.26 119.69 2r6u h ALA 25 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2r6u h ALA 25 Cb 1.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2r6u h ALA 25 CO 0.15 0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.99 2r6u n PHE 26 N -4.36 0.00 -1.18 0.00 3.72 -0.83 -5.03 117.46 109.78 2r6u n PHE 26 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2r6u n PHE 26 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.47 0.39 3.72 1.37 0.00 -0.06 -5.02 105.19 106.05 2r6u n GLY 27 Ca 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.18 2.33 -3.19 1.61 7.02 -1.21 -4.94 117.44 115.88 2r6u n TRP 28 Ca 0.00 0.49 -0.40 0.00 -1.02 0.00 0.00 57.50 56.57 2r6u n TRP 28 Cb 0.10 -2.41 -0.06 0.00 -2.42 0.00 0.00 31.31 26.51 2r6u n TRP 28 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2r6u s ALA 29 N -1.18 3.55 -0.04 6.99 0.00 -0.82 -4.39 121.76 125.87 2r6u s ALA 29 Ca 0.60 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2r6u s ALA 29 Cb -0.50 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2r6u s ALA 29 CO 0.59 -0.54 -0.14 0.42 0.00 0.00 0.00 175.76 176.09 2r6u s ILE 30 N 1.87 1.19 -0.05 0.00 1.01 -1.26 -0.68 121.20 123.29 2r6u s ILE 30 Ca 0.26 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2r6u s ILE 30 Cb -0.16 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2r6u s ILE 30 CO 0.10 0.36 -0.07 0.00 0.00 0.00 0.00 174.94 175.32 2r6u s ALA 31 N 0.21 0.87 0.01 9.38 0.00 -0.24 -4.96 121.76 127.02 2r6u s ALA 31 Ca -0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 2r6u s ALA 31 Cb -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2r6u s ALA 31 CO 0.02 0.04 1.25 -1.21 0.00 0.00 0.00 175.76 175.86 2r6u s GLU 32 N 0.80 4.36 -0.22 0.00 2.02 -1.26 -0.16 118.70 124.24 2r6u s GLU 32 Ca -0.13 1.79 -0.14 0.00 0.02 0.00 0.00 54.97 56.52 2r6u s GLU 32 Cb -0.15 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 2r6u s GLU 32 CO 0.02 -0.41 0.32 0.42 0.02 0.00 0.00 175.26 175.63 2r6u s ILE 33 N 1.77 5.25 -0.09 -1.63 -1.09 -0.15 -4.95 121.20 120.32 2r6u s ILE 33 Ca 0.59 0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 59.29 2r6u s ILE 33 Cb -0.29 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 2r6u s ILE 33 CO 0.26 0.27 0.72 -2.16 -1.23 0.00 0.00 174.94 172.80 2r6u s PRO 34 N 1.33 4.41 -0.56 2.79 0.04 -1.26 -1.62 135.00 140.12 2r6u s PRO 34 Ca 0.15 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.15 2r6u s PRO 34 Cb -0.14 -3.47 0.25 0.00 0.04 0.00 0.00 34.50 31.17 2r6u s PRO 34 CO 0.07 -0.01 0.67 -0.25 0.04 0.00 0.00 177.00 177.52 2r6u n ASP 35 N 4.06 2.60 -0.22 6.66 8.00 -1.26 -5.05 116.55 131.34 2r6u n ASP 35 Ca -0.00 -3.20 0.04 0.00 0.71 0.00 0.00 54.79 52.34 2r6u n ASP 35 Cb 0.51 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2r6u n ASP 35 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2r6u n MET 36 N 1.07 1.88 -4.10 -1.24 1.56 -0.64 -5.00 117.12 110.65 2r6u n MET 36 Ca 0.27 -0.63 -0.38 0.00 -0.27 0.00 0.00 57.70 56.69 2r6u n MET 36 Cb 0.45 -1.06 -0.02 0.00 2.15 0.00 0.00 33.22 34.74 2r6u n MET 36 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2r6u n ASP 37 N -0.16 -2.06 -3.62 6.12 8.00 -1.26 -4.94 116.55 118.62 2r6u n ASP 37 Ca 0.04 -1.19 -0.15 0.00 0.71 0.00 0.00 54.79 54.20 2r6u n ASP 37 Cb 0.19 -1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 39.77 2r6u n ASP 37 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2r6u s TYR 38 N -3.88 -0.72 -0.20 1.24 5.04 -1.26 -4.72 117.35 112.85 2r6u s TYR 38 Ca 0.29 1.63 -0.03 0.00 -2.44 0.00 0.00 57.07 56.52 2r6u s TYR 38 Cb -0.16 0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 2r6u s TYR 38 CO 0.90 -0.42 -0.07 -1.12 -1.34 0.00 0.00 175.55 173.51 2r6u s SER 39 N -0.03 4.19 0.13 4.32 0.01 -0.27 -0.97 113.70 121.07 2r6u s SER 39 Ca -0.03 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 2r6u s SER 39 Cb -0.04 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.43 2r6u s SER 39 CO 0.03 0.01 1.02 -0.32 0.41 0.00 0.00 173.24 174.40 2r6u s MET 40 N 1.27 4.64 -0.15 12.44 1.75 0.77 -0.54 119.30 139.48 2r6u s MET 40 Ca 0.03 1.56 0.02 0.00 -1.25 0.00 0.00 55.69 56.05 2r6u s MET 40 Cb -0.14 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.19 2r6u s MET 40 CO -0.03 0.13 -0.20 0.08 -0.65 0.00 0.00 175.02 174.36 2r6u s VAL 41 N -0.01 2.22 -0.28 10.11 1.01 -0.07 -1.08 120.40 132.29 2r6u s VAL 41 Ca 0.49 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2r6u s VAL 41 Cb -0.26 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2r6u s VAL 41 CO 0.32 0.54 0.03 -0.89 0.00 0.00 0.00 175.10 175.09 2r6u s THR 42 N 0.92 3.57 -0.66 3.92 2.01 0.14 -1.44 115.64 124.11 2r6u s THR 42 Ca -0.04 -0.83 0.21 0.00 0.31 0.00 0.00 61.69 61.34 2r6u s THR 42 Cb -0.15 -2.84 -0.26 0.00 0.01 0.00 0.00 72.50 69.26 2r6u s THR 42 CO -0.04 0.11 0.74 0.35 -0.69 0.00 0.00 174.62 175.09 2r6u n THR 43 N 4.79 0.00 -3.86 -0.82 -2.24 -1.26 -1.95 114.28 108.93 2r6u n THR 43 Ca -0.15 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 2r6u n THR 43 Cb 0.47 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 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 -3.43 0.13 0.52 3.38 0.00 -1.26 -4.99 107.32 101.66 2r6u s GLY 44 Ca 0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.05 2r6u s GLY 44 CO 0.85 -0.35 1.21 -1.05 0.00 0.00 0.00 173.10 173.76 2r6u n PRO 45 N -0.38 1.52 -4.26 2.90 -0.02 -1.26 -4.89 135.00 128.60 2r6u n PRO 45 Ca -0.06 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.78 2r6u n PRO 45 Cb 0.61 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 2r6u n PRO 45 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2r6u s VAL 46 N -1.32 1.51 0.00 -1.45 -7.23 -1.26 -2.21 120.40 108.44 2r6u s VAL 46 Ca 0.69 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2r6u s VAL 46 Cb -0.45 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2r6u s VAL 46 CO 0.52 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 2r6u n GLY 47 N 0.76 1.04 0.17 2.32 0.00 -0.79 -4.78 105.19 103.91 2r6u n GLY 47 Ca -0.17 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 1.61 4.81 -2.01 -1.67 114.58 117.32 2r6u h GLU 48 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2r6u h GLU 48 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2r6u h GLU 48 CO 0.00 0.46 0.00 0.66 -0.73 0.00 0.00 179.01 179.40 2r6u h SER 49 N 0.00 0.00 0.00 1.04 4.64 -2.00 -3.46 113.55 113.77 2r6u h SER 49 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r6u h SER 49 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2r6u h SER 49 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2r6u n GLY 50 N -0.55 1.05 3.91 -0.77 0.00 -0.63 -5.04 105.19 103.17 2r6u n GLY 50 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 3.60 0.35 1.61 -1.94 -1.26 -4.76 119.30 116.88 2r6u s MET 51 Ca 0.00 -0.08 -0.27 0.00 -1.71 0.00 0.00 55.69 53.63 2r6u s MET 51 Cb 0.00 -2.68 -0.12 0.00 2.01 0.00 0.00 34.83 34.04 2r6u s MET 51 CO 0.00 0.23 1.21 -2.30 -0.01 0.00 0.00 175.02 174.16 2r6u n PRO 52 N -0.98 1.90 0.00 2.03 -0.02 -1.26 -1.88 135.00 134.78 2r6u n PRO 52 Ca -0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2r6u n PRO 52 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.72 1.34 -4.44 2.55 5.68 -0.94 -4.73 116.55 116.73 2r6u n ASP 53 Ca 0.06 -1.49 -0.28 0.00 -0.50 0.00 0.00 54.79 52.58 2r6u n ASP 53 Cb 0.36 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.23 2r6u n ASP 53 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2r6u s GLU 54 N -0.49 1.60 0.50 0.11 2.02 -1.26 -5.00 118.70 116.18 2r6u s GLU 54 Ca 0.00 -1.38 -0.14 0.00 0.02 0.00 0.00 54.97 53.47 2r6u s GLU 54 Cb 0.00 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.22 2r6u s GLU 54 CO 0.00 0.43 0.93 -1.25 0.02 0.00 0.00 175.26 175.39 2r6u s PRO 55 N -2.43 3.84 0.00 0.39 0.04 -1.26 -4.61 135.00 130.98 2r6u s PRO 55 Ca 0.19 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2r6u s PRO 55 Cb -0.09 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2r6u s PRO 55 CO 0.09 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2r6u n GLY 56 N -1.69 1.00 3.34 0.56 0.00 -1.26 -5.07 105.19 102.07 2r6u n GLY 56 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.13 0.18 1.61 -0.85 -1.26 -5.17 117.35 109.72 2r6u s TYR 57 Ca 0.00 -0.20 0.09 0.00 -0.52 0.00 0.00 57.07 56.44 2r6u s TYR 57 Cb 0.00 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 2r6u s TYR 57 CO 0.00 -0.72 -0.18 0.96 -1.52 0.00 0.00 175.55 174.09 2r6u s ILE 58 N -3.83 1.87 0.57 -3.49 -4.36 -1.26 -4.96 121.20 105.74 2r6u s ILE 58 Ca 0.05 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.55 2r6u s ILE 58 Cb 0.02 -1.91 0.08 0.00 1.25 0.00 0.00 42.46 41.90 2r6u s ILE 58 CO -0.10 -0.35 0.78 0.20 0.24 0.00 0.00 174.94 175.71 2r6u s ASN 59 N -2.80 5.11 0.00 4.36 0.01 -1.26 -4.59 114.94 115.77 2r6u s ASN 59 Ca 0.18 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 2r6u s ASN 59 Cb -0.05 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.89 2r6u s ASN 59 CO 0.07 -1.32 0.00 0.61 -1.51 0.00 0.00 177.10 174.95 2r6u n GLY 60 N -2.23 2.68 3.28 0.66 0.00 -0.52 -3.19 105.19 105.88 2r6u n GLY 60 Ca 0.15 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.08 0.05 0.00 -0.02 0.00 -0.15 -0.89 107.32 106.22 2r6u s GLY 61 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 44.72 44.29 2r6u s GLY 61 CO 0.00 -0.63 -0.15 1.06 0.00 0.00 0.00 173.10 173.38 2r6u s MET 62 N -3.87 1.17 0.01 2.90 -1.94 0.29 -1.21 119.30 116.66 2r6u s MET 62 Ca 0.07 -0.62 -0.09 0.00 -1.71 0.00 0.00 55.69 53.34 2r6u s MET 62 Cb 0.03 -1.16 0.01 0.00 2.01 0.00 0.00 34.83 35.72 2r6u s MET 62 CO -0.09 0.31 0.18 0.00 -0.01 0.00 0.00 175.02 175.41 2r6u s MET 63 N -0.60 0.57 0.22 2.03 0.23 -0.97 -1.12 119.30 119.66 2r6u s MET 63 Ca 0.05 -0.43 -0.32 0.00 -1.03 0.00 0.00 55.69 53.95 2r6u s MET 63 Cb -0.07 0.24 -0.13 0.00 -1.53 0.00 0.00 34.83 33.35 2r6u s MET 63 CO 0.00 -0.15 1.61 0.94 -2.03 0.00 0.00 175.02 175.40 2r6u n GLN 64 N 1.20 2.48 -1.72 3.16 -0.06 -1.26 -0.71 117.38 120.47 2r6u n GLN 64 Ca -0.21 0.89 -0.42 0.00 -2.00 0.00 0.00 57.00 55.25 2r6u n GLN 64 Cb 0.56 -2.68 -0.03 0.00 -4.06 0.00 0.00 30.24 24.04 2r6u n GLN 64 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2r6u n ARG 65 N 3.17 2.69 0.00 3.69 0.63 0.08 -4.46 116.66 122.46 2r6u n ARG 65 Ca 0.14 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 2r6u n ARG 65 Cb 0.33 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.45 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 3.53 -1.57 0.17 5.14 0.00 -1.26 -4.91 105.19 106.30 2r6u n GLY 66 Ca 0.15 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 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 0.25 -5.03 1.61 4.81 -1.99 -3.39 114.58 110.84 2r6u h GLU 67 Ca 0.00 -0.17 -0.65 0.00 -0.13 0.00 0.00 59.36 58.41 2r6u h GLU 67 Cb 0.00 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.16 2r6u h GLU 67 CO 0.00 0.77 -0.67 0.08 -0.73 0.00 0.00 179.01 178.46 2r6u s VAL 68 N -3.79 3.84 -0.09 0.32 1.01 -1.26 -4.99 120.40 115.44 2r6u s VAL 68 Ca -0.04 -0.34 0.13 0.00 0.00 0.00 0.00 61.98 61.73 2r6u s VAL 68 Cb 0.12 -2.76 -0.19 0.00 0.00 0.00 0.00 36.38 33.56 2r6u s VAL 68 CO 0.80 0.40 0.15 0.35 0.00 0.00 0.00 175.10 176.80 2r6u n THR 69 N 4.61 0.56 -4.16 3.92 -2.24 -1.26 -4.34 114.28 111.36 2r6u n THR 69 Ca -0.17 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 2r6u n THR 69 Cb 0.51 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.58 0.06 0.27 4.28 -4.23 -1.26 -4.92 115.64 107.26 2r6u s THR 70 Ca -0.06 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.24 2r6u s THR 70 Cb 0.06 -2.20 -0.14 0.00 1.34 0.00 0.00 72.50 71.56 2r6u s THR 70 CO 0.57 -0.29 1.07 -2.65 -0.54 0.00 0.00 174.62 172.77 2r6u n PRO 71 N -0.16 1.41 -4.81 3.99 -0.02 -1.26 -4.70 135.00 129.45 2r6u n PRO 71 Ca -0.03 0.50 -0.26 0.00 -2.02 0.00 0.00 63.50 61.69 2r6u n PRO 71 Cb 0.64 -1.91 -0.16 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.89 1.39 0.09 -1.45 1.01 -0.43 -4.99 120.40 115.12 2r6u s VAL 72 Ca 0.61 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2r6u s VAL 72 Cb -0.71 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2r6u s VAL 72 CO 0.59 0.40 0.11 0.68 0.00 0.00 0.00 175.10 176.87 2r6u s VAL 73 N 0.01 4.65 -0.14 2.92 -7.23 -1.26 -0.65 120.40 118.71 2r6u s VAL 73 Ca -0.03 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 2r6u s VAL 73 Cb -0.11 -3.26 0.01 0.00 0.56 0.00 0.00 36.38 33.57 2r6u s VAL 73 CO 0.02 0.09 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.80 2r6u s THR 74 N -1.45 2.18 -0.20 5.32 2.01 -0.31 -0.96 115.64 122.24 2r6u s THR 74 Ca 0.30 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 2r6u s THR 74 Cb -0.12 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2r6u s THR 74 CO 0.23 0.55 0.35 -0.69 -0.69 0.00 0.00 174.62 174.36 2r6u s VAL 75 N 0.73 5.24 0.10 3.82 1.01 -0.04 -1.77 120.40 129.49 2r6u s VAL 75 Ca -0.09 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2r6u s VAL 75 Cb -0.16 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2r6u s VAL 75 CO 0.00 0.29 1.19 -0.62 0.00 0.00 0.00 175.10 175.97 2r6u s ASP 76 N 0.92 7.09 0.06 3.32 2.15 -0.26 -0.93 116.67 129.02 2r6u s ASP 76 Ca 0.17 2.07 0.01 0.00 0.43 0.00 0.00 52.55 55.24 2r6u s ASP 76 Cb -0.14 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2r6u s ASP 76 CO 0.07 -0.43 -0.06 0.68 -0.17 0.00 0.00 175.17 175.26 2r6u s VAL 77 N 0.71 0.47 0.18 1.11 -7.23 0.03 0.43 120.40 116.11 2r6u s VAL 77 Ca 0.57 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 59.22 2r6u s VAL 77 Cb -0.30 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2r6u s VAL 77 CO 0.31 -0.67 1.53 -0.33 -0.31 0.00 0.00 175.10 175.64 2r6u h GLU 78 N 3.79 0.74 -2.76 4.82 5.08 -1.96 -3.39 114.58 120.89 2r6u h GLU 78 Ca -0.35 -0.39 -0.27 0.00 -1.00 0.00 0.00 59.36 57.35 2r6u h GLU 78 Cb 1.18 0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.10 2r6u h GLU 78 CO 0.53 1.01 -0.59 0.45 -1.00 0.00 0.00 179.01 179.41 2r6u s SER 79 N -6.85 0.82 0.32 1.42 0.15 -1.26 -4.83 113.70 103.47 2r6u s SER 79 Ca -0.09 0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.79 2r6u s SER 79 Cb 0.12 0.50 0.54 0.00 -1.71 0.00 0.00 66.02 65.46 2r6u s SER 79 CO 0.85 -0.28 1.94 0.40 1.20 0.00 0.00 173.24 177.35 2r6u h ILE 80 N 6.31 1.19 -0.26 6.45 2.04 -1.92 0.11 117.51 131.44 2r6u h ILE 80 Ca -0.15 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2r6u h ILE 80 Cb 1.13 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2r6u h ILE 80 CO 0.19 0.22 0.16 -0.33 0.00 0.00 0.00 178.15 178.39 2r6u h GLU 81 N 0.83 0.32 -0.44 2.37 3.07 -1.99 -0.12 114.58 118.62 2r6u h GLU 81 Ca 0.21 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.99 2r6u h GLU 81 Cb 0.06 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2r6u h GLU 81 CO -0.03 0.21 0.04 0.77 -1.40 0.00 0.00 179.01 178.60 2r6u h SER 82 N 0.33 0.73 -0.45 1.42 0.02 -1.92 -2.18 113.55 111.51 2r6u h SER 82 Ca 0.10 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 2r6u h SER 82 Cb -0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2r6u h SER 82 CO -0.04 0.83 0.12 0.00 -1.14 0.00 0.00 176.83 176.61 2r6u h ALA 83 N 0.93 0.59 -0.55 3.77 0.00 -0.72 -1.49 119.26 121.78 2r6u h ALA 83 Ca 0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2r6u h ALA 83 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2r6u h ALA 83 CO 0.02 0.25 0.03 -0.07 0.00 0.00 0.00 179.25 179.48 2r6u h LEU 84 N 0.59 0.88 -0.38 0.00 3.38 -1.01 0.27 115.31 119.04 2r6u h LEU 84 Ca 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2r6u h LEU 84 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2r6u h LEU 84 CO -0.00 0.92 0.25 -0.33 0.09 0.00 0.00 178.44 179.37 2r6u h GLU 85 N 0.85 0.50 -0.16 1.13 5.08 -1.21 -1.58 114.58 119.20 2r6u h GLU 85 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2r6u h GLU 85 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2r6u h GLU 85 CO 0.02 0.34 0.06 -0.09 -1.00 0.00 0.00 179.01 178.35 2r6u h ARG 86 N 0.51 0.24 -0.51 2.33 2.43 -0.82 -2.20 114.38 116.36 2r6u h ARG 86 Ca 0.14 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 2r6u h ARG 86 Cb -0.04 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 2r6u h ARG 86 CO -0.03 0.32 0.16 0.82 -1.51 0.00 0.00 179.97 179.74 2r6u h ILE 87 N 0.10 0.79 -0.32 1.20 2.04 -0.39 -1.69 117.51 119.24 2r6u h ILE 87 Ca 0.05 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 2r6u h ILE 87 Cb 0.17 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2r6u h ILE 87 CO -0.00 0.06 -0.16 -0.33 0.00 0.00 0.00 178.15 177.71 2r6u h GLU 88 N 0.33 0.58 0.00 2.37 5.08 -1.21 0.67 114.58 122.40 2r6u h GLU 88 Ca 0.25 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2r6u h GLU 88 Cb 0.29 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2r6u h GLU 88 CO -0.27 0.72 -0.05 0.66 -1.00 0.00 0.00 179.01 179.06 2r6u h SER 89 N 0.53 0.00 -0.54 1.42 4.64 -0.81 -2.85 113.55 115.94 2r6u h SER 89 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2r6u h SER 89 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2r6u h SER 89 CO 0.04 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 2r6u n LEU 90 N -3.23 3.50 0.00 5.97 4.77 -0.58 -4.93 117.00 122.51 2r6u n LEU 90 Ca -0.01 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2r6u n LEU 90 Cb 0.27 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2r6u n LEU 90 CO 0.27 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 2r6u n GLY 91 N 1.54 0.94 4.02 -0.72 0.00 -1.02 -4.87 105.19 105.06 2r6u n GLY 91 Ca 0.21 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2r6u n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r6u s GLY 92 N -2.01 1.74 -0.06 -0.02 0.00 0.13 -4.37 107.32 102.73 2r6u s GLY 92 Ca 0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 44.72 42.66 2r6u s GLY 92 CO 0.00 -1.45 0.21 1.25 0.00 0.00 0.00 173.10 173.11 2r6u s LYS 93 N -4.90 0.34 0.11 2.90 2.20 -0.54 -3.97 119.74 115.87 2r6u s LYS 93 Ca 0.64 0.11 -0.31 0.00 -0.36 0.00 0.00 55.97 56.06 2r6u s LYS 93 Cb -0.05 0.16 -0.07 0.00 -1.51 0.00 0.00 37.83 36.35 2r6u s LYS 93 CO 0.42 -0.06 1.26 0.99 -0.36 0.00 0.00 175.35 177.60 2r6u s THR 94 N -0.33 3.68 -0.21 3.43 2.01 -1.26 -0.10 115.64 122.86 2r6u s THR 94 Ca -0.04 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.05 2r6u s THR 94 Cb -0.03 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 2r6u s THR 94 CO 0.01 0.12 -0.22 0.52 -0.69 0.00 0.00 174.62 174.36 2r6u n VAL 95 N 3.61 1.50 -4.24 3.82 0.31 0.14 -4.85 118.33 118.62 2r6u n VAL 95 Ca 0.09 -0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 2r6u n VAL 95 Cb 0.45 -2.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.09 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 -2.56 0.78 0.78 2.52 -4.23 -0.78 -4.97 115.64 107.18 2r6u s THR 96 Ca -0.30 -0.81 -0.10 0.00 -1.18 0.00 0.00 61.69 59.30 2r6u s THR 96 Cb 0.07 -0.73 0.17 0.00 1.34 0.00 0.00 72.50 73.35 2r6u s THR 96 CO 0.44 -0.06 1.06 0.61 -0.54 0.00 0.00 174.62 176.13 2r6u n GLY 97 N 2.07 -0.77 3.67 3.99 0.00 -1.26 -2.14 105.19 110.76 2r6u n GLY 97 Ca -0.18 -1.81 -0.49 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.16 1.93 -3.93 1.61 0.63 -1.26 -4.48 116.66 108.00 2r6u n ARG 98 Ca 0.14 0.70 -0.18 0.00 -0.92 0.00 0.00 57.85 57.60 2r6u n ARG 98 Cb 0.50 -2.48 -0.16 0.00 0.45 0.00 0.00 32.46 30.77 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 2.64 0.21 0.30 5.15 2.01 0.01 -4.95 115.64 121.01 2r6u s THR 99 Ca 0.88 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.67 2r6u s THR 99 Cb -0.77 -0.30 -0.11 0.00 0.01 0.00 0.00 72.50 71.34 2r6u s THR 99 CO 0.49 0.16 1.46 -2.84 -0.69 0.00 0.00 174.62 173.20 2r6u s PRO 100 N 1.09 4.22 -0.07 4.92 0.02 -1.26 -0.46 135.00 143.45 2r6u s PRO 100 Ca -0.09 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.34 2r6u s PRO 100 Cb -0.13 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2r6u s PRO 100 CO -0.02 -0.45 -0.07 0.08 -0.33 0.00 0.00 177.00 176.21 2r6u s VAL 101 N -0.39 0.85 0.00 3.83 1.01 -0.60 -4.85 120.40 120.25 2r6u s VAL 101 Ca 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2r6u s VAL 101 Cb -0.44 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2r6u s VAL 101 CO 0.49 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.51 2r6u n GLY 102 N 4.33 1.85 0.00 4.51 0.00 -1.26 -3.69 105.19 110.93 2r6u n GLY 102 Ca -0.19 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.42 2r6u n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r6u n ASN 103 N -1.36 0.86 -0.00 1.61 3.02 -1.26 -4.75 115.26 113.39 2r6u n ASN 103 Ca 0.00 -0.65 0.09 0.00 -0.03 0.00 0.00 54.58 53.99 2r6u n ASN 103 Cb 0.00 1.11 -0.12 0.00 -0.61 0.00 0.00 39.78 40.16 2r6u n ASN 103 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2r6u n MET 104 N -1.43 0.85 -0.73 3.52 2.81 -1.25 -5.00 117.12 115.88 2r6u n MET 104 Ca 0.02 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2r6u n MET 104 Cb 0.23 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.44 1.74 3.14 3.03 0.00 -1.24 -1.29 105.19 112.02 2r6u n GLY 105 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.63 1.05 0.22 1.61 0.08 0.26 -1.56 117.98 115.00 2r6u s PHE 106 Ca 0.00 -0.51 0.08 0.00 0.12 0.00 0.00 56.93 56.63 2r6u s PHE 106 Cb 0.00 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 2r6u s PHE 106 CO 0.00 0.01 -0.15 0.00 -0.10 0.00 0.00 175.22 174.98 2r6u s ALA 107 N -1.52 2.13 0.20 5.36 0.00 0.39 -0.78 121.76 127.55 2r6u s ALA 107 Ca -0.03 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.05 2r6u s ALA 107 Cb -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2r6u s ALA 107 CO 0.01 0.10 0.56 0.00 0.00 0.00 0.00 175.76 176.44 2r6u s ALA 108 N -2.89 -1.07 0.05 0.00 0.00 -0.90 -0.81 121.76 116.14 2r6u s ALA 108 Ca 0.24 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2r6u s ALA 108 Cb -0.01 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 2r6u s ALA 108 CO 0.08 -0.83 -0.14 0.71 0.00 0.00 0.00 175.76 175.58 2r6u s TYR 109 N -3.86 1.23 0.13 0.00 2.02 -0.91 -0.56 117.35 115.40 2r6u s TYR 109 Ca 0.08 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 2r6u s TYR 109 Cb -0.02 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 2r6u s TYR 109 CO -0.03 0.04 0.14 -0.59 -1.57 0.00 0.00 175.55 173.54 2r6u s PHE 110 N -0.96 0.59 -0.14 2.71 -0.12 -0.33 -0.69 117.98 119.04 2r6u s PHE 110 Ca 0.01 -0.98 -0.07 0.00 -0.05 0.00 0.00 56.93 55.83 2r6u s PHE 110 Cb -0.08 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 2r6u s PHE 110 CO 0.02 -0.57 0.13 0.95 -0.05 0.00 0.00 175.22 175.69 2r6u s THR 111 N -3.99 5.45 0.18 -4.49 -4.23 0.85 -0.78 115.64 108.63 2r6u s THR 111 Ca 0.18 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2r6u s THR 111 Cb 0.06 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.55 2r6u s THR 111 CO -0.02 0.58 0.25 -0.90 -0.54 0.00 0.00 174.62 173.99 2r6u n ASP 112 N 2.31 0.02 0.26 3.99 5.68 -0.39 -1.47 116.55 126.96 2r6u n ASP 112 Ca -0.19 -1.09 0.18 0.00 -0.50 0.00 0.00 54.79 53.18 2r6u n ASP 112 Cb 0.54 -0.19 0.87 0.00 -1.14 0.00 0.00 41.12 41.21 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 -0.32 0.00 -0.46 -1.12 4.64 -1.90 -2.54 113.55 111.85 2r6u h SER 113 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2r6u h SER 113 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2r6u h SER 113 CO 0.06 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 2r6u n GLU 114 N -2.82 2.53 -0.88 4.77 -0.58 -1.26 -4.97 120.64 117.42 2r6u n GLU 114 Ca -0.01 -2.24 0.00 0.00 -0.42 0.00 0.00 57.16 54.48 2r6u n GLU 114 Cb 0.14 -1.43 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 1.17 0.61 3.76 0.62 0.00 -0.96 -5.03 105.19 105.36 2r6u n GLY 115 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.13 7.20 -0.10 1.61 0.02 -1.26 -4.81 114.94 115.47 2r6u s ASN 116 Ca 0.00 1.43 -0.27 0.00 -1.02 0.00 0.00 52.86 53.00 2r6u s ASN 116 Cb 0.00 -2.45 -0.02 0.00 0.02 0.00 0.00 41.25 38.80 2r6u s ASN 116 CO 0.00 0.11 0.90 -0.69 0.02 0.00 0.00 177.10 177.44 2r6u s VAL 117 N -0.48 4.87 0.06 1.60 1.01 -1.26 -1.26 120.40 124.93 2r6u s VAL 117 Ca 0.36 1.82 0.04 0.00 0.00 0.00 0.00 61.98 64.19 2r6u s VAL 117 Cb -0.21 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2r6u s VAL 117 CO 0.22 0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2r6u s VAL 118 N 1.70 0.94 0.19 2.92 1.01 0.04 -4.70 120.40 122.50 2r6u s VAL 118 Ca 0.44 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2r6u s VAL 118 Cb -0.18 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2r6u s VAL 118 CO 0.18 -0.23 0.32 -0.83 0.00 0.00 0.00 175.10 174.54 2r6u s GLY 119 N -1.57 1.49 0.08 4.51 0.00 -0.13 -1.19 107.32 110.50 2r6u s GLY 119 Ca -0.04 -1.12 0.09 0.00 0.00 0.00 0.00 44.72 43.65 2r6u s GLY 119 CO 0.02 -1.13 -0.23 1.08 0.00 0.00 0.00 173.10 172.83 2r6u s LEU 120 N -3.56 2.23 -0.04 0.66 1.43 0.28 -0.87 118.68 118.81 2r6u s LEU 120 Ca 0.34 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2r6u s LEU 120 Cb -0.10 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.07 2r6u s LEU 120 CO 0.29 0.16 -0.07 0.86 0.23 0.00 0.00 176.35 177.82 2r6u s TRP 121 N -0.94 0.88 -0.16 0.29 -0.11 -0.11 -2.12 118.94 116.67 2r6u s TRP 121 Ca 0.09 -0.25 0.00 0.00 1.22 0.00 0.00 56.10 57.17 2r6u s TRP 121 Cb -0.10 -0.69 0.03 0.00 -1.50 0.00 0.00 33.47 31.21 2r6u s TRP 121 CO 0.03 -0.16 -0.14 -2.00 -4.62 0.00 0.00 176.95 170.07 2r6u s GLU 122 N 0.58 2.28 0.13 5.86 2.12 0.04 -0.79 118.70 128.92 2r6u s GLU 122 Ca -0.09 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2r6u s GLU 122 Cb -0.12 -2.19 -0.07 0.00 0.26 0.00 0.00 34.13 32.01 2r6u s GLU 122 CO 0.01 -0.27 1.16 0.99 -0.54 0.00 0.00 175.26 176.60 2r6u s THR 123 N 1.46 3.90 0.03 -1.70 2.01 -1.26 -0.58 115.64 119.50 2r6u s THR 123 Ca 0.04 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 2r6u s THR 123 Cb -0.13 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 2r6u s THR 123 CO -0.10 0.19 1.52 0.00 -0.69 0.00 0.00 174.62 175.54 2r6u s ALA 124 N 0.36 3.63 0.00 7.40 0.00 -0.41 -4.93 121.76 127.81 2r6u s ALA 124 Ca 0.54 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2r6u s ALA 124 Cb -0.30 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2r6u s ALA 124 CO 0.33 -0.99 0.14 0.54 0.00 0.00 0.00 175.76 175.77