#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dch s SER -9 N 0.00 7.25 0.28 0.41 0.01 -1.26 -5.03 113.70 115.36 2dch s SER -9 Ca 0.00 1.67 0.07 0.00 1.31 0.00 0.00 55.95 58.99 2dch s SER -9 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2dch s SER -9 CO 0.00 -0.40 0.24 -1.20 0.41 0.00 0.00 173.24 172.29 2dch n SER -8 N 4.52 -0.60 0.00 2.44 7.64 -1.26 -4.89 113.62 121.48 2dch n SER -8 Ca 0.08 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.11 2dch n SER -8 Cb 0.49 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 65.10 2dch n SER -8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dch n GLY -7 N -0.53 0.60 3.96 0.23 0.00 -1.26 -5.04 105.19 103.14 2dch n GLY -7 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2dch n GLY -7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dch s LEU -6 N 0.00 3.59 -0.07 0.99 1.43 -1.26 -4.55 118.68 118.81 2dch s LEU -6 Ca 0.00 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2dch s LEU -6 Cb 0.00 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2dch s LEU -6 CO 0.00 -0.78 1.40 -0.69 0.23 0.00 0.00 176.35 176.51 2dch s VAL -5 N -2.56 3.90 0.44 -1.59 1.01 -1.26 -4.94 120.40 115.40 2dch s VAL -5 Ca 0.50 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 63.42 2dch s VAL -5 Cb -0.10 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2dch s VAL -5 CO 0.37 -0.06 1.20 -2.65 0.00 0.00 0.00 175.10 173.96 2dch n PRO -4 N 6.16 1.70 -3.55 2.72 -0.02 -1.26 -4.87 135.00 135.88 2dch n PRO -4 Ca 0.14 0.61 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 2dch n PRO -4 Cb 0.44 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 2dch n PRO -4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dch n ARG -3 N -0.10 0.99 0.00 -0.52 1.74 -1.26 -1.17 116.66 116.32 2dch n ARG -3 Ca 0.08 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 2dch n ARG -3 Cb 0.40 0.88 0.00 0.00 -1.02 0.00 0.00 32.46 32.72 2dch n ARG -3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dch n GLY -2 N 0.87 -0.49 0.24 -0.13 0.00 -1.26 -3.49 105.19 100.92 2dch n GLY -2 Ca -0.08 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.60 2dch n GLY -2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dch h SER -1 N 3.80 0.00 -1.14 1.61 0.02 -2.06 -2.94 113.55 112.84 2dch h SER -1 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2dch h SER -1 Cb 0.00 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.12 2dch h SER -1 CO 0.00 0.19 -0.79 1.41 -1.14 0.00 0.00 176.83 176.49 2dch n HIS 0 N -3.53 3.00 -1.48 3.45 8.25 -1.26 -5.08 115.22 118.59 2dch n HIS 0 Ca -0.01 -2.69 -0.34 0.00 -0.26 0.00 0.00 57.72 54.42 2dch n HIS 0 Cb 0.34 -0.21 0.09 0.00 1.12 0.00 0.00 29.99 31.33 2dch n HIS 0 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dch s MET 1 N -3.56 2.22 -0.01 -0.41 0.00 -1.11 -4.64 119.30 111.79 2dch s MET 1 Ca 0.48 1.71 0.01 0.00 0.00 0.00 0.00 55.69 57.89 2dch s MET 1 Cb 0.40 -1.85 0.01 0.00 0.00 0.00 0.00 34.83 33.40 2dch s MET 1 CO -0.08 -1.76 0.84 1.63 0.00 0.00 0.00 175.02 175.65 2dch n LYS 2 N -2.68 0.13 0.09 3.16 4.76 -0.32 -4.90 118.16 118.40 2dch n LYS 2 Ca 0.13 -0.91 -0.12 0.00 -2.87 0.00 0.00 58.31 54.54 2dch n LYS 2 Cb 0.50 -0.56 -0.05 0.00 -1.84 0.00 0.00 35.03 33.09 2dch n LYS 2 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2dch h VAL 3 N 5.16 0.42 -0.75 -0.18 2.07 -1.90 -0.92 116.25 120.15 2dch h VAL 3 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2dch h VAL 3 Cb 1.22 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2dch h VAL 3 CO 0.00 0.00 0.38 -0.50 0.02 0.00 0.00 177.57 177.47 2dch h TRP 4 N -0.45 1.06 -0.56 1.57 4.06 -1.94 0.47 115.95 120.16 2dch h TRP 4 Ca 0.04 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2dch h TRP 4 Cb 0.49 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 2dch h TRP 4 CO -0.26 0.76 0.34 -0.44 -3.56 0.00 0.00 178.44 175.28 2dch h ASP 5 N 1.04 0.68 -0.02 -3.49 3.32 -1.87 0.22 116.42 116.30 2dch h ASP 5 Ca 0.26 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2dch h ASP 5 Cb 0.08 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2dch h ASP 5 CO -0.04 0.54 0.01 0.22 -1.72 0.00 0.00 179.24 178.26 2dch h TYR 6 N 0.76 0.04 -0.33 4.55 5.03 -0.96 -2.89 116.97 123.15 2dch h TYR 6 Ca 0.20 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.49 2dch h TYR 6 Cb -0.01 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2dch h TYR 6 CO -0.02 0.13 0.10 -0.07 -1.32 0.00 0.00 178.16 176.98 2dch h LEU 7 N -0.07 0.43 -0.14 2.82 3.38 -0.49 -0.58 115.31 120.66 2dch h LEU 7 Ca 0.01 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2dch h LEU 7 Cb 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2dch h LEU 7 CO -0.00 0.42 -0.11 0.00 0.09 0.00 0.00 178.44 178.85 2dch h GLY 9 N -0.11 1.04 0.88 0.00 0.00 -1.26 -0.28 103.07 103.34 2dch h GLY 9 Ca 0.09 -0.87 0.02 0.00 0.00 0.00 0.00 47.33 46.57 2dch h GLY 9 CO -0.21 0.79 0.10 -2.00 0.00 0.00 0.00 176.54 175.22 2dch h LEU 10 N 0.82 0.14 -0.26 3.11 5.85 -0.83 -0.93 115.31 123.21 2dch h LEU 10 Ca 0.12 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.65 2dch h LEU 10 Cb 0.69 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2dch h LEU 10 CO 0.05 0.11 -0.83 0.40 -0.34 0.00 0.00 178.44 177.83 2dch h ILE 11 N 0.21 1.37 -0.97 4.05 2.04 -0.86 0.22 117.51 123.57 2dch h ILE 11 Ca 0.09 -2.23 0.05 0.00 1.00 0.00 0.00 64.86 63.77 2dch h ILE 11 Cb 0.04 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 2dch h ILE 11 CO -0.07 0.68 0.62 0.00 0.00 0.00 0.00 178.15 179.38 2dch h ALA 12 N 0.78 1.30 -0.06 1.87 0.00 -0.86 0.40 119.26 122.69 2dch h ALA 12 Ca -0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2dch h ALA 12 Cb 1.44 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2dch h ALA 12 CO 0.15 0.47 -0.50 0.00 0.00 0.00 0.00 179.25 179.37 2dch h ALA 13 N 1.41 0.15 0.00 0.00 0.00 -0.54 -3.40 119.26 116.88 2dch h ALA 13 Ca 0.40 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dch h ALA 13 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dch h ALA 13 CO -0.14 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 2dch n ASP 14 N -4.26 1.79 -4.63 0.00 5.68 0.72 -4.69 116.55 111.16 2dch n ASP 14 Ca -0.09 -1.83 -0.23 0.00 -0.50 0.00 0.00 54.79 52.14 2dch n ASP 14 Cb 0.61 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.51 2dch n ASP 14 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2dch s GLY 15 N -0.83 1.72 -0.01 6.12 0.00 0.14 -0.68 107.32 113.76 2dch s GLY 15 Ca 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 44.72 43.01 2dch s GLY 15 CO 0.00 -1.76 0.02 -2.38 0.00 0.00 0.00 173.10 168.99 2dch s HIS 16 N -2.36 -0.01 -0.13 1.90 -3.43 0.96 -4.86 115.29 107.36 2dch s HIS 16 Ca 0.32 0.08 -0.09 0.00 -0.80 0.00 0.00 55.06 54.57 2dch s HIS 16 Cb -0.06 -0.08 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 2dch s HIS 16 CO 0.20 -0.04 0.17 -0.51 -2.00 0.00 0.00 174.74 172.56 2dch s LEU 17 N 0.39 4.35 0.40 5.38 1.02 -1.26 -0.69 118.68 128.27 2dch s LEU 17 Ca -0.03 0.46 0.08 0.00 0.02 0.00 0.00 54.13 54.65 2dch s LEU 17 Cb -0.05 -2.14 -0.07 0.00 0.02 0.00 0.00 46.19 43.96 2dch s LEU 17 CO -0.01 0.33 0.06 1.51 0.02 0.00 0.00 176.35 178.26 2dch s ASP 18 N -0.61 4.09 0.54 2.29 1.47 -0.61 -1.36 116.67 122.47 2dch s ASP 18 Ca 0.14 -1.21 0.24 0.00 1.18 0.00 0.00 52.55 52.90 2dch s ASP 18 Cb -0.12 -0.44 1.43 0.00 -0.34 0.00 0.00 42.92 43.45 2dch s ASP 18 CO 0.03 -0.44 2.04 -0.08 0.68 0.00 0.00 175.17 177.41 2dch h GLU 19 N 1.68 0.00 0.00 2.11 4.81 -1.95 -1.29 114.58 119.94 2dch h GLU 19 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2dch h GLU 19 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dch h GLU 19 CO 0.75 0.00 -0.02 0.39 -0.73 0.00 0.00 179.01 179.40 2dch n GLU 20 N -4.26 0.21 0.00 1.92 4.71 -1.26 -4.93 120.64 117.03 2dch n GLU 20 Ca 0.06 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 2dch n GLU 20 Cb 0.46 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 2dch n GLU 20 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dch n GLY 21 N 1.35 1.03 3.87 0.62 0.00 -0.49 -5.10 105.19 106.47 2dch n GLY 21 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2dch n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dch s TYR 22 N -2.00 3.53 -0.18 1.61 1.51 -1.26 -4.32 117.35 116.24 2dch s TYR 22 Ca 0.00 0.80 -0.05 0.00 -1.01 0.00 0.00 57.07 56.81 2dch s TYR 22 Cb 0.00 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2dch s TYR 22 CO 0.00 0.44 -0.00 0.42 -1.11 0.00 0.00 175.55 175.30 2dch s ILE 23 N -1.54 4.05 -0.18 2.71 1.01 0.26 -1.58 121.20 125.93 2dch s ILE 23 Ca 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2dch s ILE 23 Cb -0.13 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.54 2dch s ILE 23 CO 0.20 0.45 -0.18 -0.89 0.00 0.00 0.00 174.94 174.52 2dch s THR 24 N 0.71 2.20 -0.25 2.92 2.01 0.14 -0.55 115.64 122.82 2dch s THR 24 Ca -0.00 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.00 2dch s THR 24 Cb -0.14 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2dch s THR 24 CO 0.02 0.53 0.18 -0.63 -0.69 0.00 0.00 174.62 174.03 2dch s ILE 25 N 1.31 5.34 -0.21 1.82 1.01 -0.01 -0.03 121.20 130.43 2dch s ILE 25 Ca 0.05 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 2dch s ILE 25 Cb -0.13 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2dch s ILE 25 CO -0.12 0.31 -0.03 -1.48 0.00 0.00 0.00 174.94 173.63 2dch s LEU 26 N 1.30 3.04 -0.01 2.97 -0.00 0.14 -0.89 118.68 125.23 2dch s LEU 26 Ca 0.08 -0.32 0.01 0.00 -0.00 0.00 0.00 54.13 53.90 2dch s LEU 26 Cb -0.14 -1.77 0.00 0.00 -0.00 0.00 0.00 46.19 44.28 2dch s LEU 26 CO 0.07 0.02 -0.02 -1.10 -0.00 0.00 0.00 176.35 175.31 2dch s GLN 27 N 1.28 0.23 0.09 1.48 -1.52 -0.51 -4.81 119.66 115.89 2dch s GLN 27 Ca 0.03 -0.06 -0.15 0.00 -1.95 0.00 0.00 55.36 53.24 2dch s GLN 27 Cb -0.14 -0.26 -0.11 0.00 -0.22 0.00 0.00 33.01 32.27 2dch s GLN 27 CO -0.01 0.02 1.36 0.87 -0.25 0.00 0.00 175.29 177.29 2dch h LYS 28 N 6.30 0.71 -5.64 2.91 1.57 -1.85 0.11 116.57 120.68 2dch h LYS 28 Ca -0.29 -0.45 -0.60 0.00 -1.87 0.00 0.00 60.65 57.44 2dch h LYS 28 Cb 1.19 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.45 2dch h LYS 28 CO 0.50 1.07 0.30 0.34 -0.57 0.00 0.00 179.45 181.09 2dch s ASP 29 N -6.71 6.69 0.29 0.86 2.15 -1.26 -4.59 116.67 114.09 2dch s ASP 29 Ca -0.12 0.86 0.12 0.00 0.43 0.00 0.00 52.55 53.83 2dch s ASP 29 Cb 0.08 -2.38 0.39 0.00 -0.30 0.00 0.00 42.92 40.72 2dch s ASP 29 CO 0.85 -0.44 1.62 -0.09 -0.17 0.00 0.00 175.17 176.95 2dch h ARG 30 N 7.80 0.00 0.00 4.34 9.65 -1.99 -2.25 114.38 131.92 2dch h ARG 30 Ca -0.25 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.59 2dch h ARG 30 Cb 1.11 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2dch h ARG 30 CO 0.82 0.59 -0.19 0.07 2.80 0.00 0.00 179.97 184.05 2dch h ARG 31 N 0.00 0.00 0.19 0.20 0.11 -1.99 -1.45 114.38 111.43 2dch h ARG 31 Ca -0.01 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.80 2dch h ARG 31 Cb 1.08 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.19 2dch h ARG 31 CO 0.08 0.19 -1.17 0.35 0.10 0.00 0.00 179.97 179.51 2dch h PHE 32 N 0.00 0.82 -0.79 4.08 -0.00 -1.86 -3.20 116.94 116.00 2dch h PHE 32 Ca -0.00 -0.58 0.18 0.00 -0.00 0.00 0.00 57.97 57.57 2dch h PHE 32 Cb 0.63 -0.04 -0.14 0.00 -0.00 0.00 0.00 35.95 36.41 2dch h PHE 32 CO 0.00 1.45 0.00 0.82 -0.00 0.00 0.00 178.31 180.58 2dch h ILE 33 N -0.04 0.30 -0.92 1.41 1.08 -1.13 0.11 117.51 118.32 2dch h ILE 33 Ca -0.20 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 64.33 2dch h ILE 33 Cb 1.91 0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 35.80 2dch h ILE 33 CO 0.22 0.02 0.59 0.44 -0.69 0.00 0.00 178.15 178.73 2dch h ASP 34 N 0.09 0.86 -0.16 1.72 3.32 -1.27 -1.11 116.42 119.88 2dch h ASP 34 Ca 0.43 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.31 2dch h ASP 34 Cb 0.78 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2dch h ASP 34 CO -0.70 0.51 -0.64 0.11 -1.72 0.00 0.00 179.24 176.80 2dch h LYS 35 N 0.95 0.78 -0.09 3.56 1.57 -0.82 -2.61 116.57 119.91 2dch h LYS 35 Ca 0.42 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dch h LYS 35 Cb 0.37 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2dch h LYS 35 CO -0.18 1.17 0.05 0.82 -0.57 0.00 0.00 179.45 180.73 2dch h ILE 36 N 0.57 1.07 -0.64 1.86 2.04 -0.70 -1.68 117.51 120.03 2dch h ILE 36 Ca -0.01 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.76 2dch h ILE 36 Cb 1.24 1.06 -0.09 0.00 -0.74 0.00 0.00 36.82 38.29 2dch h ILE 36 CO 0.13 0.07 0.16 0.58 0.00 0.00 0.00 178.15 179.09 2dch h VAL 37 N 0.06 0.63 -0.61 1.67 2.07 -1.18 0.23 116.25 119.13 2dch h VAL 37 Ca 0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2dch h VAL 37 Cb 0.06 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2dch h VAL 37 CO -0.01 0.05 0.28 0.00 0.02 0.00 0.00 177.57 177.91 2dch h ALA 38 N 1.50 1.34 -0.35 1.67 0.00 -1.25 -0.33 119.26 121.84 2dch h ALA 38 Ca 0.34 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2dch h ALA 38 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2dch h ALA 38 CO -0.41 0.51 -0.21 -0.07 0.00 0.00 0.00 179.25 179.07 2dch h LEU 39 N 0.86 0.78 -0.48 0.00 3.38 -0.18 -1.86 115.31 117.82 2dch h LEU 39 Ca 0.21 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2dch h LEU 39 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2dch h LEU 39 CO -0.03 1.03 -0.05 -0.07 0.09 0.00 0.00 178.44 179.42 2dch h LEU 40 N 0.53 0.88 -0.27 1.67 3.38 -0.74 -1.02 115.31 119.74 2dch h LEU 40 Ca 0.07 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2dch h LEU 40 Cb 0.76 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2dch h LEU 40 CO 0.06 1.00 -0.03 0.11 0.09 0.00 0.00 178.44 179.67 2dch h LYS 41 N 0.73 0.04 -0.89 1.13 1.57 -1.02 -0.82 116.57 117.31 2dch h LYS 41 Ca 0.13 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 2dch h LYS 41 Cb 0.58 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 2dch h LYS 41 CO 0.03 0.03 0.50 1.03 -0.57 0.00 0.00 179.45 180.47 2dch h SER 42 N 0.04 0.67 0.31 0.86 0.87 -1.11 -1.66 113.55 113.53 2dch h SER 42 Ca 0.13 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2dch h SER 42 Cb 0.18 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2dch h SER 42 CO -0.24 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.37 2dch n ALA 43 N -2.39 2.43 -1.63 6.23 0.00 -0.41 -4.87 120.51 119.87 2dch n ALA 43 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 2dch n ALA 43 Cb 0.41 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 2dch n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dch n GLU 44 N -1.17 -0.36 -3.46 0.00 -0.58 -0.62 -5.01 120.64 109.44 2dch n GLU 44 Ca 0.16 0.44 -0.41 0.00 -0.42 0.00 0.00 57.16 56.94 2dch n GLU 44 Cb 0.17 -4.18 -0.10 0.00 -0.57 0.00 0.00 31.44 26.76 2dch n GLU 44 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dch s ILE 45 N -2.21 5.22 0.24 -3.67 -1.09 -0.41 -5.03 121.20 114.26 2dch s ILE 45 Ca 0.00 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 2dch s ILE 45 Cb 0.00 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 37.01 2dch s ILE 45 CO 0.00 -0.06 1.03 -0.54 -1.23 0.00 0.00 174.94 174.13 2dch s LYS 46 N 1.88 4.73 -0.21 2.79 1.02 -1.26 -4.11 119.74 124.58 2dch s LYS 46 Ca 0.09 1.65 -0.19 0.00 0.02 0.00 0.00 55.97 57.54 2dch s LYS 46 Cb -0.17 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2dch s LYS 46 CO 0.11 0.33 0.54 0.42 -0.92 0.00 0.00 175.35 175.83 2dch s ILE 47 N -1.01 5.08 -0.04 2.17 1.01 -1.26 -4.36 121.20 122.79 2dch s ILE 47 Ca 0.44 0.99 -0.26 0.00 0.00 0.00 0.00 60.65 61.81 2dch s ILE 47 Cb -0.29 -3.86 -0.21 0.00 0.01 0.00 0.00 42.46 38.11 2dch s ILE 47 CO 0.36 0.15 1.19 0.28 0.00 0.00 0.00 174.94 176.92 2dch h SER 48 N 7.54 -0.01 -5.07 3.58 0.02 -1.12 -3.47 113.55 115.02 2dch h SER 48 Ca -0.32 -0.55 -0.08 0.00 -0.84 0.00 0.00 61.79 60.00 2dch h SER 48 Cb 1.15 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.54 2dch h SER 48 CO 0.74 0.55 -0.18 -0.94 -1.14 0.00 0.00 176.83 175.86 2dch s SER 49 N -5.75 -0.17 -0.12 3.07 1.04 -1.17 -5.00 113.70 105.61 2dch s SER 49 Ca -0.16 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 2dch s SER 49 Cb 0.01 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.57 2dch s SER 49 CO 0.67 -0.69 0.01 -0.22 0.98 0.00 0.00 173.24 173.99 2dch s LEU 50 N -2.30 0.83 -0.05 2.42 2.96 -1.26 -0.64 118.68 120.64 2dch s LEU 50 Ca -0.02 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2dch s LEU 50 Cb 0.00 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.20 2dch s LEU 50 CO -0.06 -0.23 0.18 0.72 -1.32 0.00 0.00 176.35 175.64 2dch s PHE 51 N 1.92 -0.14 -0.53 5.38 -0.12 -0.81 -4.98 117.98 118.70 2dch s PHE 51 Ca 0.03 0.32 -0.26 0.00 -0.05 0.00 0.00 56.93 56.97 2dch s PHE 51 Cb -0.14 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 2dch s PHE 51 CO -0.06 -0.16 1.01 -0.47 -0.05 0.00 0.00 175.22 175.48 2dch s TYR 52 N -0.37 2.78 -0.48 3.49 6.14 -1.26 -1.44 117.35 126.21 2dch s TYR 52 Ca -0.05 0.23 -0.27 0.00 0.64 0.00 0.00 57.07 57.62 2dch s TYR 52 Cb -0.03 -4.18 -0.03 0.00 0.42 0.00 0.00 41.96 38.14 2dch s TYR 52 CO 0.01 -1.34 1.94 0.34 0.64 0.00 0.00 175.55 177.14 2dch s ASP 53 N 2.70 5.36 0.40 4.32 -1.08 0.21 -4.86 116.67 123.72 2dch s ASP 53 Ca 0.36 0.85 0.09 0.00 -0.52 0.00 0.00 52.55 53.33 2dch s ASP 53 Cb -0.10 -2.52 0.82 0.00 -1.46 0.00 0.00 42.92 39.66 2dch s ASP 53 CO 0.23 -2.21 1.95 0.11 0.52 0.00 0.00 175.17 175.77 2dch h LYS 54 N 14.97 0.27 0.16 4.34 1.57 -1.94 -0.93 116.57 135.02 2dch h LYS 54 Ca -0.29 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2dch h LYS 54 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2dch h LYS 54 CO 1.13 0.35 -0.08 0.78 -0.57 0.00 0.00 179.45 181.07 2dch h GLY 55 N 0.66 -0.23 1.83 3.86 0.00 -1.95 -3.30 103.07 103.95 2dch h GLY 55 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2dch h GLY 55 CO 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 176.54 176.53 2dch h ALA 56 N -1.79 2.05 0.00 3.60 0.00 -1.99 -3.47 119.26 117.67 2dch h ALA 56 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dch h ALA 56 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dch h ALA 56 CO 0.04 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2dch n GLY 57 N -1.55 0.73 3.24 0.00 0.00 -0.37 -5.07 105.19 102.16 2dch n GLY 57 Ca -0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 2dch n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dch s VAL 58 N -2.00 1.17 0.09 1.61 -7.23 -1.09 -4.67 120.40 108.28 2dch s VAL 58 Ca 0.00 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 2dch s VAL 58 Cb 0.00 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.19 2dch s VAL 58 CO 0.00 -0.64 0.54 0.26 -0.31 0.00 0.00 175.10 174.95 2dch s TRP 59 N -2.89 3.73 -0.13 2.82 0.52 0.38 -0.62 118.94 122.75 2dch s TRP 59 Ca 0.13 1.16 0.02 0.00 0.02 0.00 0.00 56.10 57.43 2dch s TRP 59 Cb -0.00 -2.43 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 2dch s TRP 59 CO 0.01 0.54 -0.19 0.15 0.02 0.00 0.00 176.95 177.48 2dch s LYS 60 N -1.40 2.69 -0.24 4.98 1.02 -0.52 -1.43 119.74 124.84 2dch s LYS 60 Ca 0.31 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 2dch s LYS 60 Cb -0.18 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2dch s LYS 60 CO 0.18 -0.06 0.11 0.42 -0.92 0.00 0.00 175.35 175.08 2dch s ILE 61 N 0.96 4.81 -0.18 2.17 1.01 -0.07 -1.92 121.20 127.98 2dch s ILE 61 Ca -0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2dch s ILE 61 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2dch s ILE 61 CO -0.03 0.34 0.10 -0.54 0.00 0.00 0.00 174.94 174.80 2dch s LYS 62 N 1.36 4.00 -0.03 2.79 -0.14 0.19 -0.83 119.74 127.08 2dch s LYS 62 Ca 0.06 -0.27 0.03 0.00 -1.36 0.00 0.00 55.97 54.43 2dch s LYS 62 Cb -0.15 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 2dch s LYS 62 CO 0.05 0.34 -0.11 0.08 -0.76 0.00 0.00 175.35 174.95 2dch s VAL 63 N 0.21 0.98 -0.42 3.17 1.01 0.29 -0.44 120.40 125.19 2dch s VAL 63 Ca 0.06 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2dch s VAL 63 Cb -0.12 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.52 2dch s VAL 63 CO -0.00 0.30 0.15 -0.75 0.00 0.00 0.00 175.10 174.79 2dch s LYS 64 N 0.17 1.67 -0.17 2.72 2.47 -1.26 -0.57 119.74 124.77 2dch s LYS 64 Ca -0.04 -2.20 -0.04 0.00 -1.56 0.00 0.00 55.97 52.14 2dch s LYS 64 Cb -0.10 -3.19 0.09 0.00 -1.46 0.00 0.00 37.83 33.17 2dch s LYS 64 CO 0.01 -1.03 0.27 0.34 0.16 0.00 0.00 175.35 175.10 2dch s ASP 65 N 0.37 0.67 0.15 1.43 -1.08 -1.26 -4.93 116.67 112.01 2dch s ASP 65 Ca 0.14 0.27 -0.12 0.00 -0.52 0.00 0.00 52.55 52.32 2dch s ASP 65 Cb -0.22 0.67 0.02 0.00 -1.46 0.00 0.00 42.92 41.92 2dch s ASP 65 CO -0.05 -0.28 1.60 -0.08 0.52 0.00 0.00 175.17 176.88 2dch h GLU 66 N 8.28 0.89 -0.26 4.34 4.81 -1.97 0.24 114.58 130.91 2dch h GLU 66 Ca -0.16 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 58.63 2dch h GLU 66 Cb 1.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2dch h GLU 66 CO 0.20 0.93 -0.45 0.07 -0.73 0.00 0.00 179.01 179.04 2dch h ARG 67 N 0.75 0.65 -0.16 1.92 0.11 -1.99 -0.53 114.38 115.14 2dch h ARG 67 Ca 0.14 -0.36 -0.16 0.00 0.10 0.00 0.00 59.98 59.70 2dch h ARG 67 Cb 0.54 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2dch h ARG 67 CO 0.03 0.97 -0.51 1.25 0.10 0.00 0.00 179.97 181.81 2dch h LEU 68 N 0.53 0.73 -0.62 0.08 5.85 -1.97 -1.65 115.31 118.25 2dch h LEU 68 Ca 0.03 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.18 2dch h LEU 68 Cb 0.98 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2dch h LEU 68 CO 0.09 1.20 0.39 0.22 -0.34 0.00 0.00 178.44 180.00 2dch h TYR 69 N 0.30 0.74 -0.38 1.25 5.03 -0.78 0.00 116.97 123.13 2dch h TYR 69 Ca -0.02 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2dch h TYR 69 Cb 1.13 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 2dch h TYR 69 CO 0.10 0.44 -0.20 -0.09 -1.32 0.00 0.00 178.16 177.08 2dch h ARG 70 N 0.79 0.81 -0.18 1.82 2.43 -1.11 -1.93 114.38 117.02 2dch h ARG 70 Ca 0.24 -0.36 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2dch h ARG 70 Cb -0.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2dch h ARG 70 CO -0.08 0.99 0.06 -0.92 -1.51 0.00 0.00 179.97 178.51 2dch h TYR 71 N 0.62 0.11 -0.39 2.20 5.03 -1.00 -1.30 116.97 122.24 2dch h TYR 71 Ca 0.08 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.42 2dch h TYR 71 Cb 0.76 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.99 2dch h TYR 71 CO 0.06 0.06 0.22 -0.07 -1.32 0.00 0.00 178.16 177.10 2dch h LEU 72 N 0.15 0.34 -1.22 2.82 3.38 -0.89 -2.34 115.31 117.55 2dch h LEU 72 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dch h LEU 72 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2dch h LEU 72 CO -0.08 0.25 0.00 -0.37 0.09 0.00 0.00 178.44 178.33 2dch h VAL 73 N 0.44 0.00 -0.17 1.22 -1.51 -1.16 -1.01 116.25 114.06 2dch h VAL 73 Ca 0.16 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2dch h VAL 73 Cb 0.03 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2dch h VAL 73 CO -0.09 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.84 2dch n ASN 74 N -2.93 1.84 -1.72 4.19 4.13 -0.51 -3.98 115.26 116.28 2dch n ASN 74 Ca 0.01 -1.72 -0.02 0.00 1.68 0.00 0.00 54.58 54.53 2dch n ASN 74 Cb 0.31 -0.11 0.07 0.00 -1.54 0.00 0.00 39.78 38.52 2dch n ASN 74 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2dch n ASN 75 N 0.44 2.07 0.00 6.41 4.13 -0.47 -4.46 115.26 123.39 2dch n ASN 75 Ca 0.17 -2.80 0.00 0.00 1.68 0.00 0.00 54.58 53.62 2dch n ASN 75 Cb 0.36 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 2dch n ASN 75 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dch n GLY 76 N -0.40 0.99 3.47 7.41 0.00 -1.17 -3.55 105.19 111.94 2dch n GLY 76 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2dch n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dch s VAL 77 N -2.94 4.47 0.02 1.61 1.01 -0.69 -2.00 120.40 121.88 2dch s VAL 77 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 2dch s VAL 77 Cb 0.00 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 2dch s VAL 77 CO 0.00 -1.58 0.82 -0.63 0.00 0.00 0.00 175.10 173.71 2dch s ILE 78 N 3.49 4.79 1.16 2.22 1.09 -1.26 -3.90 121.20 128.79 2dch s ILE 78 Ca 0.32 1.74 -0.15 0.00 -1.10 0.00 0.00 60.65 61.46 2dch s ILE 78 Cb -0.07 -4.17 0.27 0.00 -1.06 0.00 0.00 42.46 37.43 2dch s ILE 78 CO -0.04 0.30 1.04 -2.84 -0.10 0.00 0.00 174.94 173.30 2dch s PRO 79 N 0.32 -0.86 0.00 2.79 0.02 -1.26 -4.69 135.00 131.33 2dch s PRO 79 Ca 0.42 0.50 0.00 0.00 0.02 0.00 0.00 61.00 61.94 2dch s PRO 79 Cb -0.20 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2dch s PRO 79 CO 0.24 -3.59 0.00 0.41 -0.33 0.00 0.00 177.00 173.73 2dch n GLY 80 N 0.03 0.42 0.00 0.52 0.00 -0.47 -4.95 105.19 100.75 2dch n GLY 80 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2dch n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dch n LYS 81 N 0.00 0.71 -1.66 1.61 4.81 -1.26 -4.64 118.16 117.72 2dch n LYS 81 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2dch n LYS 81 Cb 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 35.03 34.96 2dch n LYS 81 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dch s VAL 85 N 0.00 3.07 0.74 3.15 1.01 -1.26 -5.15 120.40 121.96 2dch s VAL 85 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 2dch s VAL 85 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.34 2dch s VAL 85 CO 0.00 -0.04 1.08 -0.76 0.00 0.00 0.00 175.10 175.37 2dch s LEU 86 N 7.31 3.02 0.19 3.92 1.43 -1.26 -4.90 118.68 128.39 2dch s LEU 86 Ca 0.96 1.66 0.09 0.00 -1.03 0.00 0.00 54.13 55.81 2dch s LEU 86 Cb -0.34 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.40 2dch s LEU 86 CO 0.36 -1.75 -0.12 -0.13 0.23 0.00 0.00 176.35 174.94 2dch s ARG 87 N -5.00 1.95 0.66 1.70 1.81 -0.85 -4.44 118.95 114.79 2dch s ARG 87 Ca 0.60 -1.33 -0.17 0.00 -1.72 0.00 0.00 55.73 53.10 2dch s ARG 87 Cb -0.15 -2.09 -0.03 0.00 -0.45 0.00 0.00 34.95 32.23 2dch s ARG 87 CO 0.55 0.42 0.93 -2.30 -0.68 0.00 0.00 175.30 174.23 2dch n PRO 88 N 0.06 0.68 -1.43 3.54 -0.02 -1.26 -4.29 135.00 132.27 2dch n PRO 88 Ca -0.11 0.28 -0.29 0.00 -2.02 0.00 0.00 63.50 61.36 2dch n PRO 88 Cb 0.56 -2.16 0.13 0.00 -0.02 0.00 0.00 33.50 32.01 2dch n PRO 88 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dch s PRO 89 N -2.99 1.21 1.06 0.52 0.04 -1.23 -4.11 135.00 129.50 2dch s PRO 89 Ca 0.75 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 2dch s PRO 89 Cb -0.38 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 32.56 2dch s PRO 89 CO 0.49 -2.19 1.23 -1.54 0.04 0.00 0.00 177.00 175.03 2dch s SER 90 N -3.82 2.20 0.56 6.66 1.04 -1.26 -4.95 113.70 114.13 2dch s SER 90 Ca 0.63 0.44 0.34 0.00 0.48 0.00 0.00 55.95 57.85 2dch s SER 90 Cb -0.16 -0.58 1.54 0.00 0.10 0.00 0.00 66.02 66.92 2dch s SER 90 CO 0.55 -3.31 2.05 0.28 0.98 0.00 0.00 173.24 173.79 2dch h SER 91 N -2.03 0.00 0.77 7.02 0.02 -1.97 -2.95 113.55 114.41 2dch h SER 91 Ca -0.45 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 2dch h SER 91 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2dch h SER 91 CO 0.37 0.03 -0.49 0.00 -1.14 0.00 0.00 176.83 175.61 2dch h ALA 92 N 1.97 0.97 -2.65 3.77 0.00 -2.00 -3.44 119.26 117.89 2dch h ALA 92 Ca -0.00 -0.44 -0.52 0.00 0.00 0.00 0.00 54.91 53.95 2dch h ALA 92 Cb 0.42 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.15 2dch h ALA 92 CO 0.00 0.61 0.57 0.08 0.00 0.00 0.00 179.25 180.51 2dch s VAL 93 N -3.59 3.56 -0.20 0.00 1.01 -1.11 -4.98 120.40 115.09 2dch s VAL 93 Ca -0.00 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 2dch s VAL 93 Cb 0.12 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2dch s VAL 93 CO 0.72 0.20 1.88 -0.62 0.00 0.00 0.00 175.10 177.27 2dch s ASP 94 N 0.22 6.04 0.22 3.32 2.15 -1.26 -4.90 116.67 122.45 2dch s ASP 94 Ca 0.54 1.80 -0.06 0.00 0.43 0.00 0.00 52.55 55.26 2dch s ASP 94 Cb -0.33 -2.52 0.18 0.00 -0.30 0.00 0.00 42.92 39.95 2dch s ASP 94 CO 0.36 -1.51 1.71 1.55 -0.17 0.00 0.00 175.17 177.11 2dch h PRO 95 N 12.34 0.99 -0.11 4.34 0.13 -1.92 -1.77 132.00 146.00 2dch h PRO 95 Ca -0.38 -0.28 0.01 0.00 -0.87 0.00 0.00 66.00 64.48 2dch h PRO 95 Cb 1.19 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2dch h PRO 95 CO 0.99 0.94 0.02 1.25 -0.23 0.00 0.00 178.00 180.97 2dch h LEU 96 N 0.92 0.01 -1.20 1.56 5.85 -1.96 -0.71 115.31 119.79 2dch h LEU 96 Ca 0.18 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2dch h LEU 96 Cb 0.47 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2dch h LEU 96 CO 0.02 0.03 -0.26 -0.50 -0.34 0.00 0.00 178.44 177.38 2dch h TRP 97 N 0.07 0.25 -0.33 1.25 4.06 -1.87 -1.03 115.95 118.35 2dch h TRP 97 Ca 0.05 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 2dch h TRP 97 Cb 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2dch h TRP 97 CO -0.11 0.47 0.04 -0.92 -3.56 0.00 0.00 178.44 174.37 2dch h TYR 98 N 0.20 0.59 -0.61 0.49 3.20 -1.11 -1.99 116.97 117.74 2dch h TYR 98 Ca 0.03 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 2dch h TYR 98 Cb 0.58 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2dch h TYR 98 CO 0.01 0.63 0.24 0.82 -1.64 0.00 0.00 178.16 178.22 2dch h ILE 99 N 0.37 1.23 -0.25 1.81 2.04 -0.63 -0.32 117.51 121.76 2dch h ILE 99 Ca 0.10 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.25 2dch h ILE 99 Cb 0.37 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2dch h ILE 99 CO 0.01 0.29 0.09 0.40 0.00 0.00 0.00 178.15 178.93 2dch h ILE 100 N 0.85 0.94 -0.62 -0.67 2.04 -1.16 0.36 117.51 119.26 2dch h ILE 100 Ca 0.20 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 66.10 2dch h ILE 100 Cb 0.21 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 2dch h ILE 100 CO -0.02 0.04 0.16 1.23 0.00 0.00 0.00 178.15 179.57 2dch h GLY 101 N 0.21 0.82 0.95 5.37 0.00 -1.08 0.31 103.07 109.64 2dch h GLY 101 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 2dch h GLY 101 CO -0.11 -0.10 -0.01 -2.75 0.00 0.00 0.00 176.54 173.58 2dch h PHE 102 N 0.30 0.76 -0.40 5.60 3.57 -0.68 0.60 116.94 126.69 2dch h PHE 102 Ca 0.32 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2dch h PHE 102 Cb 0.47 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2dch h PHE 102 CO -0.22 0.78 0.18 0.82 -2.23 0.00 0.00 178.31 177.64 2dch h ILE 103 N 0.52 0.93 -0.77 1.41 2.04 -0.54 -0.52 117.51 120.58 2dch h ILE 103 Ca 0.11 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2dch h ILE 103 Cb 0.48 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2dch h ILE 103 CO 0.02 0.07 0.37 0.44 0.00 0.00 0.00 178.15 179.04 2dch h ASP 104 N 0.36 1.01 -0.26 1.72 3.32 -0.63 0.53 116.42 122.48 2dch h ASP 104 Ca 0.18 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 2dch h ASP 104 Cb 0.12 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2dch h ASP 104 CO -0.15 0.86 -0.41 1.23 -1.72 0.00 0.00 179.24 179.05 2dch h GLY 105 N 1.09 0.80 0.00 2.75 0.00 -0.59 -3.42 103.07 103.69 2dch h GLY 105 Ca 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2dch h GLY 105 CO -0.03 0.81 0.00 1.34 0.00 0.00 0.00 176.54 178.66 2dch n ASP 106 N -4.18 0.00 -3.17 0.19 4.64 -0.23 -4.59 116.55 109.21 2dch n ASP 106 Ca -0.05 -1.00 -0.18 0.00 -1.38 0.00 0.00 54.79 52.19 2dch n ASP 106 Cb 0.54 0.00 0.12 0.00 -1.04 0.00 0.00 41.12 40.75 2dch n ASP 106 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2dch n GLY 107 N 0.00 -1.25 3.24 0.27 0.00 0.18 -4.66 105.19 102.97 2dch n GLY 107 Ca 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 2dch n GLY 107 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2dch s TRP 108 N -2.70 0.16 -0.13 1.61 -2.14 0.10 -4.90 118.94 110.93 2dch s TRP 108 Ca 0.45 -0.57 0.02 0.00 2.66 0.00 0.00 56.10 58.66 2dch s TRP 108 Cb -0.01 -0.02 -0.00 0.00 -3.10 0.00 0.00 33.47 30.33 2dch s TRP 108 CO 0.32 -0.59 -0.19 0.08 -2.66 0.00 0.00 176.95 173.90 2dch s VAL 109 N -3.87 2.41 0.17 -0.66 1.01 -1.26 -0.74 120.40 117.45 2dch s VAL 109 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2dch s VAL 109 Cb 0.04 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2dch s VAL 109 CO -0.09 0.54 0.02 -1.83 0.00 0.00 0.00 175.10 173.73 2dch s GLU 110 N 0.60 1.08 -0.21 2.72 -1.05 -0.36 -4.95 118.70 116.52 2dch s GLU 110 Ca -0.11 -1.52 -0.11 0.00 -0.15 0.00 0.00 54.97 53.09 2dch s GLU 110 Cb -0.16 -0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.32 2dch s GLU 110 CO 0.03 -0.16 0.17 -0.65 0.95 0.00 0.00 175.26 175.59 2dch s GLN 111 N -3.95 4.15 0.41 -4.83 -0.21 -1.26 -0.60 119.66 113.37 2dch s GLN 111 Ca 0.24 -0.19 0.08 0.00 0.02 0.00 0.00 55.36 55.51 2dch s GLN 111 Cb 0.06 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 2dch s GLN 111 CO 0.04 0.19 0.31 0.14 -2.12 0.00 0.00 175.29 173.86 2dch s VAL 112 N 0.66 2.63 -0.06 1.09 -7.23 0.38 -4.93 120.40 112.95 2dch s VAL 112 Ca 0.09 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2dch s VAL 112 Cb -0.12 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.83 2dch s VAL 112 CO 0.01 -0.02 -0.06 0.54 -0.31 0.00 0.00 175.10 175.27 2dch s VAL 113 N -2.49 0.70 -0.21 1.32 0.11 -1.26 -1.15 120.40 117.41 2dch s VAL 113 Ca 0.46 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2dch s VAL 113 Cb -0.02 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2dch s VAL 113 CO 0.26 0.28 0.09 -0.75 -3.33 0.00 0.00 175.10 171.65 2dch s LYS 114 N 1.11 3.94 -0.28 1.54 2.20 0.94 -4.93 119.74 124.26 2dch s LYS 114 Ca -0.08 -0.35 -0.19 0.00 -0.36 0.00 0.00 55.97 55.00 2dch s LYS 114 Cb -0.14 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 2dch s LYS 114 CO -0.01 0.12 0.55 1.03 -0.36 0.00 0.00 175.35 176.68 2dch s ARG 115 N 0.83 3.98 -0.03 4.03 1.81 -1.26 -1.04 118.95 127.26 2dch s ARG 115 Ca 0.05 0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 54.33 2dch s ARG 115 Cb -0.13 -3.69 0.03 0.00 -0.45 0.00 0.00 34.95 30.71 2dch s ARG 115 CO 0.02 -0.45 0.01 0.00 -0.68 0.00 0.00 175.30 174.21 2dch s ALA 116 N 2.41 0.31 -1.08 2.13 0.00 -0.11 -4.86 121.76 120.56 2dch s ALA 116 Ca 0.22 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 2dch s ALA 116 Cb -0.15 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2dch s ALA 116 CO 0.10 -0.19 0.15 0.41 0.00 0.00 0.00 175.76 176.24 2dch n GLY 117 N 4.44 -0.25 2.17 0.00 0.00 -1.26 -1.56 105.19 108.74 2dch n GLY 117 Ca -0.21 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2dch n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dch n ASP 118 N -1.85 -3.71 -4.16 1.61 -0.08 -1.26 -5.00 116.55 102.10 2dch n ASP 118 Ca -0.20 0.14 -0.17 0.00 -1.51 0.00 0.00 54.79 53.05 2dch n ASP 118 Cb 0.49 -1.72 -0.12 0.00 2.34 0.00 0.00 41.12 42.11 2dch n ASP 118 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2dch s LYS 119 N -2.47 0.79 -0.32 -0.67 1.02 -0.60 -5.14 119.74 112.34 2dch s LYS 119 Ca 0.00 -0.95 -0.09 0.00 0.02 0.00 0.00 55.97 54.95 2dch s LYS 119 Cb 0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2dch s LYS 119 CO 0.00 0.16 0.14 -1.12 -0.92 0.00 0.00 175.35 173.60 2dch s SER 120 N -1.79 5.43 -0.27 2.83 0.01 -1.26 -0.94 113.70 117.71 2dch s SER 120 Ca -0.02 -0.74 -0.10 0.00 1.31 0.00 0.00 55.95 56.40 2dch s SER 120 Cb -0.09 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 2dch s SER 120 CO 0.02 -0.25 0.16 -0.31 0.41 0.00 0.00 173.24 173.27 2dch s TYR 121 N 1.54 3.21 0.11 2.43 2.02 -0.21 -4.72 117.35 121.73 2dch s TYR 121 Ca 0.03 0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.58 2dch s TYR 121 Cb -0.18 -2.33 -0.07 0.00 -0.40 0.00 0.00 41.96 38.98 2dch s TYR 121 CO 0.05 -0.16 0.58 0.71 -1.57 0.00 0.00 175.55 175.15 2dch s TYR 122 N 1.62 3.74 0.15 2.71 1.51 -0.78 -0.04 117.35 126.25 2dch s TYR 122 Ca 0.07 1.23 -0.13 0.00 -1.01 0.00 0.00 57.07 57.22 2dch s TYR 122 Cb -0.15 -2.47 0.01 0.00 -0.11 0.00 0.00 41.96 39.24 2dch s TYR 122 CO 0.09 0.52 0.36 1.52 -1.11 0.00 0.00 175.55 176.93 2dch s TYR 123 N -1.24 0.06 0.36 2.71 -0.85 -0.30 0.02 117.35 118.11 2dch s TYR 123 Ca 0.33 -0.42 -0.14 0.00 -0.52 0.00 0.00 57.07 56.31 2dch s TYR 123 Cb -0.18 0.14 -0.08 0.00 0.38 0.00 0.00 41.96 42.22 2dch s TYR 123 CO 0.19 -0.73 0.77 0.96 -1.52 0.00 0.00 175.55 175.22 2dch s ILE 124 N -3.88 4.68 -0.08 -3.49 -4.36 -1.26 -0.47 121.20 112.35 2dch s ILE 124 Ca 0.09 0.91 0.02 0.00 -0.26 0.00 0.00 60.65 61.41 2dch s ILE 124 Cb 0.02 -3.65 0.01 0.00 1.25 0.00 0.00 42.46 40.10 2dch s ILE 124 CO -0.06 -0.31 -0.14 -0.60 0.24 0.00 0.00 174.94 174.07 2dch s ARG 125 N -3.28 1.97 -0.12 0.37 3.52 0.23 -0.87 118.95 120.78 2dch s ARG 125 Ca 0.54 -0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 55.48 2dch s ARG 125 Cb -0.10 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.64 2dch s ARG 125 CO 0.21 0.03 0.38 0.42 -0.81 0.00 0.00 175.30 175.54 2dch s ILE 126 N 0.67 5.22 0.08 4.11 1.01 0.14 -1.23 121.20 131.20 2dch s ILE 126 Ca -0.14 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.35 2dch s ILE 126 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2dch s ILE 126 CO 0.04 0.39 -0.22 -0.83 0.00 0.00 0.00 174.94 174.31 2dch s GLY 127 N 0.32 1.27 -0.05 6.18 0.00 0.08 -0.59 107.32 114.53 2dch s GLY 127 Ca 0.21 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.76 2dch s GLY 127 CO 0.08 -1.17 -0.18 -0.42 0.00 0.00 0.00 173.10 171.40 2dch s ILE 128 N -0.97 1.51 -0.09 0.90 1.01 -0.56 -0.72 121.20 122.28 2dch s ILE 128 Ca 0.09 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2dch s ILE 128 Cb -0.10 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2dch s ILE 128 CO 0.03 0.43 -0.23 -0.75 0.00 0.00 0.00 174.94 174.42 2dch s LYS 129 N 0.04 2.89 0.02 2.79 2.20 -1.26 -1.27 119.74 125.14 2dch s LYS 129 Ca -0.04 -0.87 -0.04 0.00 -0.36 0.00 0.00 55.97 54.66 2dch s LYS 129 Cb -0.12 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2dch s LYS 129 CO 0.03 0.26 0.06 -0.08 -0.36 0.00 0.00 175.35 175.26 2dch s THR 130 N 0.14 0.11 -0.48 3.43 -1.32 -0.41 -4.93 115.64 112.18 2dch s THR 130 Ca -0.12 -0.93 0.25 0.00 -1.21 0.00 0.00 61.69 59.68 2dch s THR 130 Cb -0.16 -0.55 0.32 0.00 -1.51 0.00 0.00 72.50 70.60 2dch s THR 130 CO 0.07 -0.51 1.70 0.11 -2.21 0.00 0.00 174.62 173.78 2dch h LYS 131 N 4.17 0.00 -6.29 7.08 1.57 -1.87 0.27 116.57 121.50 2dch h LYS 131 Ca -0.32 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.87 2dch h LYS 131 Cb 1.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.41 2dch h LYS 131 CO 0.45 0.00 0.68 0.45 -0.57 0.00 0.00 179.45 180.45 2dch s SER 132 N -5.53 6.56 0.21 0.86 0.15 -1.26 -4.80 113.70 109.89 2dch s SER 132 Ca 0.07 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.92 2dch s SER 132 Cb 0.08 -2.48 0.17 0.00 -1.71 0.00 0.00 66.02 62.08 2dch s SER 132 CO 0.62 -1.08 1.74 0.50 1.20 0.00 0.00 173.24 176.22 2dch h LYS 133 N 9.04 1.11 -0.49 5.44 3.64 -1.93 -2.21 116.57 131.17 2dch h LYS 133 Ca -0.24 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2dch h LYS 133 Cb 1.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2dch h LYS 133 CO 1.05 0.97 0.28 1.49 -2.27 0.00 0.00 179.45 180.97 2dch h GLU 134 N 1.06 0.67 -0.27 1.90 4.81 -1.90 0.50 114.58 121.35 2dch h GLU 134 Ca 0.22 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2dch h GLU 134 Cb 0.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2dch h GLU 134 CO -0.00 0.50 -0.10 1.25 -0.73 0.00 0.00 179.01 179.93 2dch h LEU 135 N 0.65 0.55 -0.22 1.64 5.85 -1.75 -1.03 115.31 121.00 2dch h LEU 135 Ca 0.17 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2dch h LEU 135 Cb 0.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2dch h LEU 135 CO -0.03 0.81 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.67 2dch h ARG 136 N 0.28 -0.10 -0.80 1.25 1.12 -1.25 0.75 114.38 115.63 2dch h ARG 136 Ca 0.06 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.99 2dch h ARG 136 Cb 0.59 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.52 2dch h ARG 136 CO 0.03 -0.07 0.50 -0.44 -3.11 0.00 0.00 179.97 176.89 2dch h ASP 137 N -0.10 0.80 -0.52 -3.80 3.45 -0.81 -1.40 116.42 114.04 2dch h ASP 137 Ca 0.12 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.50 2dch h ASP 137 Cb 0.28 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 2dch h ASP 137 CO -0.28 0.53 -0.03 -0.25 -1.57 0.00 0.00 179.24 177.65 2dch h TRP 138 N 0.94 1.03 0.17 4.55 7.01 -0.69 -1.26 115.95 127.71 2dch h TRP 138 Ca 0.34 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2dch h TRP 138 Cb 0.09 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 2dch h TRP 138 CO -0.04 0.96 -0.09 0.82 -2.79 0.00 0.00 178.44 177.31 2dch h ILE 139 N 0.81 0.82 -0.35 2.65 2.04 -0.18 0.14 117.51 123.45 2dch h ILE 139 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 2dch h ILE 139 Cb 0.56 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2dch h ILE 139 CO 0.03 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.33 2dch h ALA 140 N 0.59 0.41 -0.30 1.87 0.00 -1.24 -0.93 119.26 119.66 2dch h ALA 140 Ca -0.02 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2dch h ALA 140 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dch h ALA 140 CO 0.04 -0.24 -0.41 0.37 0.00 0.00 0.00 179.25 179.01 2dch h GLN 141 N 0.31 0.73 -0.34 0.00 5.75 -0.98 -1.70 115.11 118.89 2dch h GLN 141 Ca 0.15 -0.39 -0.04 0.00 -0.15 0.00 0.00 58.65 58.22 2dch h GLN 141 Cb 0.09 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2dch h GLN 141 CO -0.13 1.01 0.06 1.15 -2.65 0.00 0.00 178.83 178.27 2dch h THR 142 N 0.60 1.23 -0.29 2.39 2.02 -0.47 -0.25 112.91 118.13 2dch h THR 142 Ca 0.05 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 2dch h THR 142 Cb 0.96 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2dch h THR 142 CO 0.09 0.27 0.16 -0.07 0.37 0.00 0.00 175.52 176.34 2dch h LEU 143 N 0.40 0.36 -0.85 2.58 3.38 -1.10 -1.69 115.31 118.39 2dch h LEU 143 Ca 0.10 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2dch h LEU 143 Cb 0.34 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 2dch h LEU 143 CO 0.01 0.33 0.47 0.78 0.09 0.00 0.00 178.44 180.11 2dch h ASN 144 N 0.36 0.62 0.03 -0.43 2.35 -1.06 0.26 115.58 117.70 2dch h ASN 144 Ca 0.10 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2dch h ASN 144 Cb 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2dch h ASN 144 CO -0.02 0.31 -0.12 0.44 -1.65 0.00 0.00 177.43 176.39 2dch h ASP 145 N 0.72 0.21 0.84 5.81 3.45 -0.60 -1.67 116.42 125.17 2dch h ASP 145 Ca 0.44 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.86 2dch h ASP 145 Cb 0.52 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 2dch h ASP 145 CO -0.31 0.36 0.00 0.18 -1.57 0.00 0.00 179.24 177.90 2dch n LEU 146 N -4.29 0.00 0.00 1.55 4.77 -0.57 -4.90 117.00 113.56 2dch n LEU 146 Ca -0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2dch n LEU 146 Cb 0.26 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2dch n LEU 146 CO 0.38 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2dch n GLY 147 N 1.11 0.70 3.24 -0.72 0.00 -0.63 -5.05 105.19 103.84 2dch n GLY 147 Ca 0.07 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 2dch n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dch s ILE 148 N -2.00 3.62 0.25 -0.61 1.01 -0.03 -4.99 121.20 118.45 2dch s ILE 148 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.11 2dch s ILE 148 Cb 0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 2dch s ILE 148 CO 0.00 -0.21 1.22 -0.13 0.00 0.00 0.00 174.94 175.82 2dch s ARG 149 N 1.36 4.48 0.01 2.79 1.81 -1.26 -2.62 118.95 125.52 2dch s ARG 149 Ca -0.02 1.98 0.00 0.00 -1.72 0.00 0.00 55.73 55.98 2dch s ARG 149 Cb -0.20 -3.17 -0.01 0.00 -0.45 0.00 0.00 34.95 31.12 2dch s ARG 149 CO 0.02 -0.06 -0.02 0.00 -0.68 0.00 0.00 175.30 174.55 2dch s ALA 150 N -0.60 0.11 0.38 2.13 0.00 -1.26 -4.56 121.76 117.96 2dch s ALA 150 Ca 0.50 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.17 2dch s ALA 150 Cb -0.35 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 2dch s ALA 150 CO 0.42 -0.09 -0.02 -1.54 0.00 0.00 0.00 175.76 174.54 2dch s SER 151 N -0.91 3.89 0.06 0.00 1.04 -0.25 -4.93 113.70 112.60 2dch s SER 151 Ca -0.09 -1.25 0.09 0.00 0.48 0.00 0.00 55.95 55.18 2dch s SER 151 Cb -0.06 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2dch s SER 151 CO -0.01 -0.34 -0.25 -0.13 0.98 0.00 0.00 173.24 173.50 2dch s ARG 152 N -3.68 1.79 -0.07 4.02 0.52 -1.26 -0.97 118.95 119.29 2dch s ARG 152 Ca 0.34 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.37 2dch s ARG 152 Cb 0.06 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.55 2dch s ARG 152 CO 0.18 0.51 0.19 0.00 0.02 0.00 0.00 175.30 176.19 2dch s ALA 153 N -0.87 -0.44 -0.24 2.13 0.00 -0.41 -4.98 121.76 116.95 2dch s ALA 153 Ca 0.13 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 2dch s ALA 153 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2dch s ALA 153 CO 0.03 -0.12 0.10 -0.51 0.00 0.00 0.00 175.76 175.26 2dch s ASP 154 N 0.50 5.50 0.28 0.00 -0.00 -1.26 -0.12 116.67 121.56 2dch s ASP 154 Ca -0.03 -0.08 0.09 0.00 -0.00 0.00 0.00 52.55 52.53 2dch s ASP 154 Cb -0.05 -1.99 -0.04 0.00 -0.00 0.00 0.00 42.92 40.84 2dch s ASP 154 CO -0.02 0.02 0.05 -0.54 -0.00 0.00 0.00 175.17 174.67 2dch s LYS 155 N 1.33 2.41 0.38 8.23 -0.14 0.86 -4.98 119.74 127.82 2dch s LYS 155 Ca 0.06 -1.38 0.05 0.00 -1.36 0.00 0.00 55.97 53.34 2dch s LYS 155 Cb -0.15 -2.23 0.76 0.00 -1.68 0.00 0.00 37.83 34.54 2dch s LYS 155 CO 0.05 0.33 2.01 0.66 -0.76 0.00 0.00 175.35 177.64 2dch h SER 156 N 1.77 0.61 -0.57 2.83 4.64 -2.04 -2.24 113.55 118.56 2dch h SER 156 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2dch h SER 156 Cb 1.25 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2dch h SER 156 CO 0.61 0.42 0.00 -0.90 -0.87 0.00 0.00 176.83 176.09 2dch n ASP 157 N -4.46 4.85 0.00 4.97 3.85 -1.26 -5.05 116.55 119.45 2dch n ASP 157 Ca 0.07 -2.63 0.00 0.00 -0.71 0.00 0.00 54.79 51.52 2dch n ASP 157 Cb 0.12 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 2dch n ASP 157 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dch n GLY 158 N 0.75 -2.76 3.24 6.12 0.00 -0.84 -4.82 105.19 106.88 2dch n GLY 158 Ca 0.25 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2dch n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dch s TYR 159 N -2.10 2.69 0.02 1.61 2.02 0.94 -0.10 117.35 122.44 2dch s TYR 159 Ca 0.00 -1.08 0.03 0.00 -0.37 0.00 0.00 57.07 55.65 2dch s TYR 159 Cb 0.00 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 2dch s TYR 159 CO 0.00 -0.47 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.26 2dch s GLU 160 N 0.62 2.58 -0.06 -0.62 2.02 0.82 -1.29 118.70 122.78 2dch s GLU 160 Ca -0.10 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.21 2dch s GLU 160 Cb -0.16 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2dch s GLU 160 CO 0.03 0.59 -0.23 0.54 0.02 0.00 0.00 175.26 176.21 2dch s VAL 161 N -1.09 1.87 -0.08 2.63 0.11 -0.40 -1.29 120.40 122.15 2dch s VAL 161 Ca 0.19 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 2dch s VAL 161 Cb -0.11 -1.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.14 2dch s VAL 161 CO 0.10 0.52 -0.21 -1.00 -3.33 0.00 0.00 175.10 171.19 2dch s HIS 162 N -0.07 2.57 -0.22 1.54 0.09 -0.14 -1.49 115.29 117.55 2dch s HIS 162 Ca -0.05 -0.67 0.01 0.00 -0.00 0.00 0.00 55.06 54.35 2dch s HIS 162 Cb -0.13 -1.67 0.06 0.00 -0.00 0.00 0.00 32.58 30.83 2dch s HIS 162 CO 0.04 -0.19 -0.06 0.42 -0.00 0.00 0.00 174.74 174.95 2dch s ILE 163 N -0.07 1.50 0.10 0.60 1.09 0.24 -1.09 121.20 123.57 2dch s ILE 163 Ca -0.05 -1.13 0.07 0.00 -1.10 0.00 0.00 60.65 58.44 2dch s ILE 163 Cb -0.14 -1.73 -0.04 0.00 -1.06 0.00 0.00 42.46 39.49 2dch s ILE 163 CO 0.04 -0.04 -0.11 -1.81 -0.10 0.00 0.00 174.94 172.92 2dch s ASP 164 N 1.42 4.35 1.73 3.58 1.01 -1.26 0.24 116.67 127.74 2dch s ASP 164 Ca -0.05 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.82 2dch s ASP 164 Cb -0.18 -0.81 0.00 0.00 1.01 0.00 0.00 42.92 42.93 2dch s ASP 164 CO -0.07 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.10 2dch n GLY 165 N 0.74 3.38 0.33 0.21 0.00 -0.04 -1.76 105.19 108.05 2dch n GLY 165 Ca -0.14 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 45.86 2dch n GLY 165 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dch h VAL 166 N 0.00 0.52 -0.88 1.61 2.07 -1.97 -0.44 116.25 117.16 2dch h VAL 166 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2dch h VAL 166 Cb 0.00 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 2dch h VAL 166 CO 0.00 0.09 0.48 -0.33 0.02 0.00 0.00 177.57 177.83 2dch h GLU 167 N 0.52 1.22 -0.41 1.57 4.39 -1.70 -1.89 114.58 118.29 2dch h GLU 167 Ca 0.61 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 60.10 2dch h GLU 167 Cb 1.16 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2dch h GLU 167 CO -0.49 0.90 -0.02 0.00 -1.16 0.00 0.00 179.01 178.23 2dch h ALA 168 N 1.26 0.55 -0.03 3.43 0.00 -1.10 -2.86 119.26 120.51 2dch h ALA 168 Ca 0.31 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dch h ALA 168 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2dch h ALA 168 CO -0.05 0.36 0.06 -1.49 0.00 0.00 0.00 179.25 178.13 2dch h TRP 169 N 0.57 0.00 0.00 0.00 4.06 -0.80 0.13 115.95 119.90 2dch h TRP 169 Ca 0.11 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 2dch h TRP 169 Cb 0.51 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 2dch h TRP 169 CO 0.04 0.00 -0.17 0.00 -3.56 0.00 0.00 178.44 174.75 2dch h ARG 170 N 0.00 0.00 0.03 0.49 3.08 -1.12 -3.31 114.38 113.55 2dch h ARG 170 Ca 0.01 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.71 2dch h ARG 170 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2dch h ARG 170 CO -0.00 0.17 -2.12 1.28 -1.07 0.00 0.00 179.97 178.23 2dch n LEU 171 N -3.26 1.43 -0.31 3.04 4.77 0.36 -4.66 117.00 118.38 2dch n LEU 171 Ca 0.01 0.14 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 2dch n LEU 171 Cb 0.45 -0.23 0.20 0.00 -2.33 0.00 0.00 43.42 41.50 2dch n LEU 171 CO 0.33 0.63 0.78 0.58 -1.33 0.00 0.00 177.39 178.38 2dch h VAL 172 N 0.02 0.16 0.00 4.08 2.07 -1.40 0.00 116.25 121.18 2dch h VAL 172 Ca -0.45 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2dch h VAL 172 Cb 2.06 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2dch h VAL 172 CO 0.03 0.01 0.00 -0.65 0.02 0.00 0.00 177.57 176.98 2dch h PRO 173 N 0.05 0.00 0.00 1.57 0.11 -1.83 -1.91 132.00 129.99 2dch h PRO 173 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2dch h PRO 173 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2dch h PRO 173 CO -0.82 0.00 -0.96 0.72 -0.21 0.00 0.00 178.00 176.73 2dch n HIS 174 N -2.96 0.28 -2.27 0.65 8.25 -0.02 -4.29 115.22 114.85 2dch n HIS 174 Ca -0.02 0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 2dch n HIS 174 Cb 0.10 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 2dch n HIS 174 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dch s LEU 175 N -3.90 4.47 -0.02 2.41 1.43 -0.72 -4.85 118.68 117.50 2dch s LEU 175 Ca 0.04 2.45 0.18 0.00 -1.03 0.00 0.00 54.13 55.77 2dch s LEU 175 Cb 0.14 -3.63 -0.26 0.00 0.03 0.00 0.00 46.19 42.47 2dch s LEU 175 CO 0.79 -0.40 0.47 0.00 0.23 0.00 0.00 176.35 177.44 2dch n GLN 176 N 1.50 0.68 -2.35 1.70 1.13 -1.26 -4.88 117.38 113.91 2dch n GLN 176 Ca 0.01 -0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 2dch n GLN 176 Cb 0.43 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 2dch n GLN 176 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2dch s ASN 177 N -3.79 6.07 0.56 1.08 3.04 -1.26 -4.90 114.94 115.73 2dch s ASN 177 Ca -0.04 0.37 0.27 0.00 0.04 0.00 0.00 52.86 53.50 2dch s ASN 177 Cb 0.12 -2.54 1.61 0.00 -1.54 0.00 0.00 41.25 38.90 2dch s ASN 177 CO 0.75 -1.74 2.18 1.55 -3.04 0.00 0.00 177.10 176.80 2dch h PRO 178 N 11.39 0.00 -0.97 0.43 0.13 -1.93 -0.70 132.00 140.35 2dch h PRO 178 Ca -0.27 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.89 2dch h PRO 178 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 2dch h PRO 178 CO 1.17 0.05 0.64 1.15 -0.23 0.00 0.00 178.00 180.77 2dch h THR 179 N 0.00 1.19 -0.44 1.56 2.02 -2.00 -1.99 112.91 113.25 2dch h THR 179 Ca -0.00 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2dch h THR 179 Cb 0.11 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 2dch h THR 179 CO 0.01 0.23 0.13 0.45 0.37 0.00 0.00 175.52 176.71 2dch h HIS 180 N 1.24 0.71 -0.62 3.16 3.86 -1.53 -1.86 115.15 120.12 2dch h HIS 180 Ca 0.38 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2dch h HIS 180 Cb -0.04 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 2dch h HIS 180 CO -0.00 0.64 0.26 -0.07 0.86 0.00 0.00 177.93 179.62 2dch h LEU 181 N 0.57 0.84 -0.28 2.43 3.38 -1.40 -1.08 115.31 119.77 2dch h LEU 181 Ca 0.14 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2dch h LEU 181 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2dch h LEU 181 CO -0.00 0.77 -0.10 -0.33 0.09 0.00 0.00 178.44 178.87 2dch h GLU 182 N 0.86 0.57 -0.55 1.13 5.08 -1.28 -2.24 114.58 118.16 2dch h GLU 182 Ca 0.21 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2dch h GLU 182 Cb 0.19 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2dch h GLU 182 CO -0.02 0.79 0.16 0.00 -1.00 0.00 0.00 179.01 178.95 2dch h ARG 183 N 0.32 0.82 -0.28 2.33 3.08 -1.22 -1.93 114.38 117.50 2dch h ARG 183 Ca 0.07 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2dch h ARG 183 Cb 0.60 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2dch h ARG 183 CO 0.03 0.72 0.14 0.00 -1.07 0.00 0.00 179.97 179.80 2dch h ALA 184 N 1.38 0.36 -0.32 0.04 0.00 -1.10 -2.92 119.26 116.70 2dch h ALA 184 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dch h ALA 184 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2dch h ALA 184 CO -0.01 -0.10 0.21 1.96 0.00 0.00 0.00 179.25 181.32 2dch h GLN 185 N 0.33 0.39 -0.22 0.00 1.08 -1.07 -2.74 115.11 112.89 2dch h GLN 185 Ca 0.10 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2dch h GLN 185 Cb 0.09 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2dch h GLN 185 CO -0.01 0.26 0.16 0.77 -0.95 0.00 0.00 178.83 179.06 2dch h SER 186 N 0.41 0.00 -0.18 1.46 0.02 -1.15 -2.45 113.55 111.65 2dch h SER 186 Ca 0.12 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2dch h SER 186 Cb -0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2dch h SER 186 CO -0.03 0.00 0.13 1.62 -1.14 0.00 0.00 176.83 177.41 2dch h VAL 187 N 0.00 0.94 0.00 2.27 3.04 -1.58 -0.56 116.25 120.36 2dch h VAL 187 Ca 0.10 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 2dch h VAL 187 Cb 0.43 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2dch h VAL 187 CO -0.00 0.01 0.00 0.11 -1.01 0.00 0.00 177.57 176.68 2dch h LYS 188 N 0.06 0.00 0.00 4.17 1.57 -1.65 -2.78 116.57 117.94 2dch h LYS 188 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2dch h LYS 188 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2dch h LYS 188 CO -0.01 0.00 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.12 2dch h ASP 189 N 0.00 0.00 -3.69 0.86 3.32 -1.27 -3.44 116.42 112.20 2dch h ASP 189 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2dch h ASP 189 Cb 0.32 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.92 2dch h ASP 189 CO 0.00 0.32 0.64 0.20 -1.72 0.00 0.00 179.24 178.67 2dch s ASN 190 N -6.31 6.84 0.24 6.45 0.01 -1.05 -4.94 114.94 116.18 2dch s ASN 190 Ca 0.01 2.58 -0.02 0.00 -0.71 0.00 0.00 52.86 54.72 2dch s ASN 190 Cb 0.10 -2.63 0.29 0.00 0.41 0.00 0.00 41.25 39.41 2dch s ASN 190 CO 0.67 -0.51 1.69 -0.09 -1.51 0.00 0.00 177.10 177.35 2dch h ARG 191 N 4.10 0.70 -3.57 -0.60 2.43 -1.89 -3.33 114.38 112.22 2dch h ARG 191 Ca -0.47 -0.25 -0.68 0.00 -0.81 0.00 0.00 59.98 57.77 2dch h ARG 191 Cb 1.22 -0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 30.35 2dch h ARG 191 CO 0.70 0.83 -0.44 -0.51 -1.51 0.00 0.00 179.97 179.04 2dch s LEU 192 N -8.91 4.99 -0.06 3.80 1.43 -1.26 -5.06 118.68 113.61 2dch s LEU 192 Ca -0.09 -2.87 -0.03 0.00 -1.03 0.00 0.00 54.13 50.12 2dch s LEU 192 Cb 0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2dch s LEU 192 CO 0.82 -0.34 0.08 -0.94 0.23 0.00 0.00 176.35 176.20 2dch s SER 193 N 0.45 5.75 0.24 2.29 1.04 -1.25 -1.86 113.70 120.35 2dch s SER 193 Ca 0.17 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.76 2dch s SER 193 Cb -0.22 -1.71 0.26 0.00 0.10 0.00 0.00 66.02 64.46 2dch s SER 193 CO -0.03 0.34 1.91 0.25 0.98 0.00 0.00 173.24 176.69 2dch h LEU 194 N 4.61 1.05 -2.38 2.42 5.85 -0.66 -3.27 115.31 122.93 2dch h LEU 194 Ca -0.51 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2dch h LEU 194 Cb 1.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2dch h LEU 194 CO 0.59 0.75 0.00 0.18 -0.34 0.00 0.00 178.44 179.62 2dch n LEU 195 N -4.45 2.59 0.00 2.25 4.77 -1.26 -5.06 117.00 115.83 2dch n LEU 195 Ca 0.11 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2dch n LEU 195 Cb 0.04 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2dch n LEU 195 CO 0.36 0.61 0.06 0.49 -1.33 0.00 0.00 177.39 177.57