#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfy s TRP 20 N 0.00 2.58 0.44 7.33 0.23 -1.26 -5.04 118.94 123.23 2dfy s TRP 20 Ca 0.00 1.56 -0.18 0.00 -2.03 0.00 0.00 56.10 55.45 2dfy s TRP 20 Cb 0.00 -3.09 -0.09 0.00 0.03 0.00 0.00 33.47 30.32 2dfy s TRP 20 CO 0.00 -1.77 0.92 0.15 0.96 0.00 0.00 176.95 177.20 2dfy s LYS 21 N -4.65 4.06 0.08 4.98 -0.14 -1.26 -4.84 119.74 117.97 2dfy s LYS 21 Ca 0.63 0.94 -0.09 0.00 -1.36 0.00 0.00 55.97 56.09 2dfy s LYS 21 Cb -0.18 -2.22 -0.06 0.00 -1.68 0.00 0.00 37.83 33.69 2dfy s LYS 21 CO 0.51 -0.09 0.38 1.03 -0.76 0.00 0.00 175.35 176.43 2dfy s ARG 22 N -3.53 3.72 -0.00 1.68 0.52 -1.26 -0.31 118.95 119.77 2dfy s ARG 22 Ca 0.59 0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 55.63 2dfy s ARG 22 Cb -0.10 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 2dfy s ARG 22 CO 0.22 0.56 0.90 0.00 0.02 0.00 0.00 175.30 177.00 2dfy h ALA 24 N 6.64 1.00 0.17 0.00 0.00 -1.61 0.11 119.26 125.57 2dfy h ALA 24 Ca -0.41 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.16 2dfy h ALA 24 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dfy h ALA 24 CO 0.75 0.00 -1.62 0.78 0.00 0.00 0.00 179.25 179.15 2dfy h GLY 25 N 2.18 0.42 0.00 0.00 0.00 -1.82 -3.42 103.07 100.44 2dfy h GLY 25 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.26 2dfy h GLY 25 CO 0.00 0.94 0.00 0.00 0.00 0.00 0.00 176.54 177.48 2dfy n GLY 27 N 0.50 0.71 3.88 0.00 0.00 0.38 -5.00 105.19 105.66 2dfy n GLY 27 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2dfy n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dfy s GLY 28 N -2.00 1.77 0.43 -0.02 0.00 -1.26 -4.57 107.32 101.68 2dfy s GLY 28 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.25 2dfy s GLY 28 CO 0.00 -0.02 1.24 0.54 0.00 0.00 0.00 173.10 174.86 2dfy s LYS 29 N -4.41 3.84 -0.46 2.90 1.02 -1.26 -0.86 119.74 120.51 2dfy s LYS 29 Ca 0.52 1.98 -0.14 0.00 0.02 0.00 0.00 55.97 58.35 2dfy s LYS 29 Cb -0.10 -2.58 0.07 0.00 -0.52 0.00 0.00 37.83 34.69 2dfy s LYS 29 CO 0.40 -0.54 0.36 0.42 -0.92 0.00 0.00 175.35 175.07 2dfy s ILE 30 N -1.38 5.01 -2.45 2.17 1.01 0.57 -4.86 121.20 121.28 2dfy s ILE 30 Ca 0.60 -1.12 0.23 0.00 0.00 0.00 0.00 60.65 60.37 2dfy s ILE 30 Cb -0.34 -4.00 0.10 0.00 0.01 0.00 0.00 42.46 38.23 2dfy s ILE 30 CO 0.42 -0.55 1.19 0.00 0.00 0.00 0.00 174.94 176.00 2dfy n ALA 31 N 5.14 3.06 -1.76 9.38 0.00 -1.26 -4.48 120.51 130.58 2dfy n ALA 31 Ca -0.12 -0.65 -0.39 0.00 0.00 0.00 0.00 53.44 52.28 2dfy n ALA 31 Cb 0.44 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 19.09 2dfy n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dfy s ASP 32 N -2.27 5.77 0.30 0.00 1.01 -1.26 -4.93 116.67 115.28 2dfy s ASP 32 Ca 0.23 2.68 -0.02 0.00 0.71 0.00 0.00 52.55 56.15 2dfy s ASP 32 Cb 0.19 -2.63 0.43 0.00 1.01 0.00 0.00 42.92 41.92 2dfy s ASP 32 CO 0.45 -1.22 1.95 -0.09 0.21 0.00 0.00 175.17 176.46 2dfy h ARG 33 N 1.98 1.05 -6.41 8.23 2.43 -1.94 -3.42 114.38 116.30 2dfy h ARG 33 Ca -0.50 -0.08 -0.68 0.00 -0.81 0.00 0.00 59.98 57.90 2dfy h ARG 33 Cb 1.27 -0.23 -0.30 0.00 -0.42 0.00 0.00 29.97 30.29 2dfy h ARG 33 CO 0.60 0.73 -0.88 -0.06 -1.51 0.00 0.00 179.97 178.84 2dfy s PHE 34 N -5.82 2.27 0.29 2.20 0.08 -1.26 0.52 117.98 116.26 2dfy s PHE 34 Ca -0.11 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 2dfy s PHE 34 Cb 0.17 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 2dfy s PHE 34 CO 0.79 -0.07 0.40 1.47 -0.10 0.00 0.00 175.22 177.71 2dfy n LEU 35 N 2.55 0.00 -4.30 -0.37 -0.00 -0.15 -4.70 117.00 110.03 2dfy n LEU 35 Ca -0.16 -2.33 -0.23 0.00 -0.00 0.00 0.00 56.01 53.29 2dfy n LEU 35 Cb 0.51 2.07 -0.12 0.00 -0.00 0.00 0.00 43.42 45.89 2dfy n LEU 35 CO 0.24 -0.53 -0.50 -0.76 -0.00 0.00 0.00 177.39 175.83 2dfy s LEU 36 N 0.00 2.37 -0.10 1.47 1.43 -0.60 -0.90 118.68 122.35 2dfy s LEU 36 Ca 0.24 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2dfy s LEU 36 Cb -0.01 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.38 2dfy s LEU 36 CO 0.17 0.01 -0.17 -0.47 0.23 0.00 0.00 176.35 176.12 2dfy s TYR 37 N -1.61 2.02 -0.10 0.29 5.04 0.26 -1.13 117.35 122.13 2dfy s TYR 37 Ca 0.11 -0.90 -0.31 0.00 -2.44 0.00 0.00 57.07 53.53 2dfy s TYR 37 Cb -0.08 -1.43 0.09 0.00 0.35 0.00 0.00 41.96 40.89 2dfy s TYR 37 CO 0.05 -0.44 0.81 0.00 -1.34 0.00 0.00 175.55 174.63 2dfy s ALA 38 N 0.81 -1.84 -1.44 3.97 0.00 -0.06 -0.89 121.76 122.31 2dfy s ALA 38 Ca -0.10 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 53.21 2dfy s ALA 38 Cb -0.16 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.71 2dfy s ALA 38 CO 0.01 -0.34 0.64 -1.33 0.00 0.00 0.00 175.76 174.74 2dfy n MET 39 N 0.84 -4.61 -1.09 0.00 2.81 -1.26 -1.21 117.12 112.60 2dfy n MET 39 Ca -0.15 0.71 -0.03 0.00 -1.81 0.00 0.00 57.70 56.42 2dfy n MET 39 Cb 0.57 -5.54 -0.01 0.00 -0.71 0.00 0.00 33.22 27.53 2dfy n MET 39 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2dfy n ASP 40 N -2.50 -4.25 -4.26 7.83 8.00 -1.26 -4.99 116.55 115.13 2dfy n ASP 40 Ca -0.05 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 2dfy n ASP 40 Cb 0.58 -2.01 -0.10 0.00 -0.02 0.00 0.00 41.12 39.57 2dfy n ASP 40 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2dfy s SER 41 N -2.29 1.74 0.13 -2.24 0.01 -0.35 -5.16 113.70 105.54 2dfy s SER 41 Ca 0.00 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.21 2dfy s SER 41 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2dfy s SER 41 CO 0.00 -0.38 0.29 -0.31 0.41 0.00 0.00 173.24 173.26 2dfy s TYR 42 N -3.37 3.49 -0.06 2.43 1.51 -1.26 -0.88 117.35 119.21 2dfy s TYR 42 Ca 0.19 0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 56.42 2dfy s TYR 42 Cb 0.03 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 2dfy s TYR 42 CO 0.02 0.50 0.19 -1.58 -1.11 0.00 0.00 175.55 173.57 2dfy s TRP 43 N -1.69 -0.17 0.34 2.71 0.52 -0.28 -1.49 118.94 118.87 2dfy s TRP 43 Ca 0.36 0.41 -0.29 0.00 0.02 0.00 0.00 56.10 56.60 2dfy s TRP 43 Cb -0.12 0.05 -0.11 0.00 -1.15 0.00 0.00 33.47 32.14 2dfy s TRP 43 CO 0.28 -0.14 1.56 -1.01 0.02 0.00 0.00 176.95 177.66 2dfy s HIS 44 N -0.17 2.65 0.28 -1.98 3.76 -1.26 -1.55 115.29 117.00 2dfy s HIS 44 Ca -0.03 0.94 -0.00 0.00 -0.15 0.00 0.00 55.06 55.83 2dfy s HIS 44 Cb -0.02 -4.07 0.50 0.00 1.11 0.00 0.00 32.58 30.10 2dfy s HIS 44 CO 0.01 -3.39 1.85 1.03 -0.85 0.00 0.00 174.74 173.38 2dfy h SER 45 N 3.96 0.95 0.35 1.40 0.87 -1.92 -1.22 113.55 117.95 2dfy h SER 45 Ca -0.49 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2dfy h SER 45 Cb 1.23 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2dfy h SER 45 CO 0.72 0.54 0.00 0.08 -0.53 0.00 0.00 176.83 177.64 2dfy h ARG 46 N 1.04 0.00 0.00 2.24 0.11 -1.98 -2.50 114.38 113.29 2dfy h ARG 46 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 2dfy h ARG 46 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2dfy h ARG 46 CO -0.24 0.00 -0.69 0.00 0.10 0.00 0.00 179.97 179.14 2dfy s LEU 48 N -3.43 6.26 0.07 0.00 2.96 -0.94 -4.61 118.68 118.99 2dfy s LEU 48 Ca 0.08 -2.10 0.06 0.00 -0.22 0.00 0.00 54.13 51.94 2dfy s LEU 48 Cb 0.16 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2dfy s LEU 48 CO 0.74 -0.74 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.34 2dfy s LYS 49 N 1.09 0.94 0.18 1.98 1.02 -1.26 -1.70 119.74 121.99 2dfy s LYS 49 Ca 0.08 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 54.81 2dfy s LYS 49 Cb -0.23 -1.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.97 2dfy s LYS 49 CO -0.01 0.23 1.54 0.00 -0.92 0.00 0.00 175.35 176.19 2dfy h SER 51 N 6.50 0.43 0.00 0.00 0.02 -0.65 -0.29 113.55 119.55 2dfy h SER 51 Ca -0.43 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 2dfy h SER 51 Cb 1.21 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2dfy h SER 51 CO 0.89 0.31 -0.60 -1.28 -1.14 0.00 0.00 176.83 175.00 2dfy h SER 52 N 0.50 0.00 -0.01 3.07 0.87 -1.91 -3.41 113.55 112.66 2dfy h SER 52 Ca 0.15 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 2dfy h SER 52 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2dfy h SER 52 CO -0.03 1.23 -0.14 0.00 -0.53 0.00 0.00 176.83 177.35 2dfy n GLN 54 N -0.06 -1.39 -1.83 0.00 1.13 -0.12 -4.95 117.38 110.17 2dfy n GLN 54 Ca 0.04 0.67 -0.38 0.00 -1.94 0.00 0.00 57.00 55.39 2dfy n GLN 54 Cb 0.21 -4.85 0.03 0.00 0.11 0.00 0.00 30.24 25.74 2dfy n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dfy s ALA 55 N -1.79 2.90 -0.77 -1.58 0.00 -1.26 -4.46 121.76 114.80 2dfy s ALA 55 Ca 0.00 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 2dfy s ALA 55 Cb 0.00 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.60 2dfy s ALA 55 CO 0.00 -1.28 1.26 -0.65 0.00 0.00 0.00 175.76 175.09 2dfy s GLN 56 N -2.81 3.24 0.31 0.00 -0.21 -1.26 -1.01 119.66 117.92 2dfy s GLN 56 Ca 0.69 -0.45 0.04 0.00 0.02 0.00 0.00 55.36 55.67 2dfy s GLN 56 Cb -0.40 -4.35 0.66 0.00 1.00 0.00 0.00 33.01 29.92 2dfy s GLN 56 CO 0.48 -2.11 1.86 -0.07 -2.12 0.00 0.00 175.29 173.32 2dfy h LEU 57 N 12.77 0.81 -1.30 2.90 3.38 -1.62 -1.65 115.31 130.59 2dfy h LEU 57 Ca -0.21 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2dfy h LEU 57 Cb 1.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2dfy h LEU 57 CO 1.29 0.43 0.00 1.23 0.09 0.00 0.00 178.44 181.48 2dfy h GLY 58 N 0.87 0.00 0.22 0.83 0.00 -1.81 -2.93 103.07 100.26 2dfy h GLY 58 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.42 2dfy h GLY 58 CO -0.23 0.00 -2.29 1.22 0.00 0.00 0.00 176.54 175.24 2dfy n ASP 59 N -2.84 1.50 0.13 0.19 8.00 -0.69 -4.61 116.55 118.23 2dfy n ASP 59 Ca 0.01 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 2dfy n ASP 59 Cb 0.27 -0.18 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 2dfy n ASP 59 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2dfy h ILE 60 N 0.02 1.39 -1.36 0.53 3.07 -1.35 -3.48 117.51 116.32 2dfy h ILE 60 Ca -0.51 -2.35 0.00 0.00 1.55 0.00 0.00 64.86 63.54 2dfy h ILE 60 Cb 2.01 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 40.86 2dfy h ILE 60 CO -0.01 0.65 0.00 0.61 -1.05 0.00 0.00 178.15 178.35 2dfy n GLY 61 N 0.57 2.33 0.55 0.16 0.00 -1.11 -5.07 105.19 102.61 2dfy n GLY 61 Ca -0.01 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.22 2dfy n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dfy n THR 62 N 0.00 0.08 -3.75 2.61 -2.24 -1.26 -4.57 114.28 105.15 2dfy n THR 62 Ca 0.00 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 2dfy n THR 62 Cb 0.00 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 2dfy n THR 62 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dfy s SER 63 N -1.09 -0.21 0.36 3.42 1.04 -1.26 -1.11 113.70 114.85 2dfy s SER 63 Ca 0.16 -0.51 0.09 0.00 0.48 0.00 0.00 55.95 56.17 2dfy s SER 63 Cb 0.11 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.71 2dfy s SER 63 CO 0.17 -1.00 -0.04 -0.94 0.98 0.00 0.00 173.24 172.40 2dfy s SER 64 N -2.88 3.88 -0.05 7.02 1.04 -0.18 -4.67 113.70 117.86 2dfy s SER 64 Ca 0.09 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 55.37 2dfy s SER 64 Cb 0.00 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 2dfy s SER 64 CO -0.04 -0.28 -0.17 -0.31 0.98 0.00 0.00 173.24 173.42 2dfy s TYR 65 N -2.62 1.76 -0.17 5.02 1.51 0.07 0.00 117.35 122.92 2dfy s TYR 65 Ca 0.34 -0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2dfy s TYR 65 Cb 0.04 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2dfy s TYR 65 CO 0.18 -0.21 -0.04 0.95 -1.11 0.00 0.00 175.55 175.32 2dfy s THR 66 N 0.16 3.76 -0.28 -0.71 -4.23 -0.14 -0.28 115.64 113.91 2dfy s THR 66 Ca -0.07 -0.40 -0.24 0.00 -1.18 0.00 0.00 61.69 59.81 2dfy s THR 66 Cb -0.13 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.19 2dfy s THR 66 CO 0.03 0.48 1.06 -0.75 -0.54 0.00 0.00 174.62 174.90 2dfy s LYS 67 N 0.59 0.45 -1.45 3.99 2.20 -0.97 -4.77 119.74 119.78 2dfy s LYS 67 Ca -0.03 0.56 -0.07 0.00 -0.36 0.00 0.00 55.97 56.08 2dfy s LYS 67 Cb -0.14 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2dfy s LYS 67 CO 0.03 -0.06 0.59 0.43 -0.36 0.00 0.00 175.35 175.98 2dfy n SER 68 N 2.35 -5.22 0.00 1.43 7.64 -1.26 -1.41 113.62 117.15 2dfy n SER 68 Ca -0.13 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2dfy n SER 68 Cb 0.56 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 2dfy n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dfy n GLY 69 N -1.41 1.22 3.84 0.23 0.00 -1.26 -5.03 105.19 102.77 2dfy n GLY 69 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2dfy n GLY 69 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dfy s MET 70 N -0.21 3.04 -0.20 1.61 -1.94 -0.50 -5.11 119.30 116.00 2dfy s MET 70 Ca 0.00 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 2dfy s MET 70 Cb 0.00 -2.71 0.03 0.00 2.01 0.00 0.00 34.83 34.16 2dfy s MET 70 CO 0.00 0.48 -0.18 0.42 -0.01 0.00 0.00 175.02 175.73 2dfy s ILE 71 N -1.80 2.06 0.08 2.53 1.01 -1.26 -2.28 121.20 121.53 2dfy s ILE 71 Ca 0.32 -1.07 0.09 0.00 0.00 0.00 0.00 60.65 59.99 2dfy s ILE 71 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2dfy s ILE 71 CO 0.25 0.42 -0.23 -0.76 0.00 0.00 0.00 174.94 174.61 2dfy s LEU 72 N 1.26 2.24 0.88 2.97 1.43 0.62 0.16 118.68 128.23 2dfy s LEU 72 Ca 0.02 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2dfy s LEU 72 Cb -0.14 -1.07 0.12 0.00 0.03 0.00 0.00 46.19 45.13 2dfy s LEU 72 CO -0.11 0.16 1.09 0.00 0.23 0.00 0.00 176.35 177.72 2dfy h ARG 74 N -1.51 1.20 -0.60 0.00 2.43 -1.95 -0.68 114.38 113.27 2dfy h ARG 74 Ca -0.48 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 58.54 2dfy h ARG 74 Cb 1.27 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 2dfy h ARG 74 CO 0.53 0.85 0.24 -0.91 -1.51 0.00 0.00 179.97 179.16 2dfy h ASN 75 N 1.22 0.83 0.92 -3.80 2.35 -1.99 -0.72 115.58 114.38 2dfy h ASN 75 Ca 0.32 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 2dfy h ASN 75 Cb -0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2dfy h ASN 75 CO -0.06 0.78 -0.59 0.44 -1.65 0.00 0.00 177.43 176.36 2dfy h ASP 76 N 0.84 0.00 -0.13 5.81 3.32 -1.89 -1.10 116.42 123.26 2dfy h ASP 76 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2dfy h ASP 76 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2dfy h ASP 76 CO -0.02 0.59 0.01 0.22 -1.72 0.00 0.00 179.24 178.32 2dfy h TYR 77 N 0.00 0.23 -0.36 4.55 3.20 -0.78 -0.43 116.97 123.38 2dfy h TYR 77 Ca -0.01 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2dfy h TYR 77 Cb 1.20 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 2dfy h TYR 77 CO 0.00 0.43 0.12 0.82 -1.64 0.00 0.00 178.16 177.89 2dfy h ILE 78 N -0.03 0.89 -0.47 1.81 2.04 -1.03 0.43 117.51 121.14 2dfy h ILE 78 Ca 0.04 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2dfy h ILE 78 Cb 0.33 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2dfy h ILE 78 CO 0.00 0.05 0.16 -0.09 0.00 0.00 0.00 178.15 178.27 2dfy h ARG 79 N 0.27 0.73 0.02 2.37 2.43 -1.06 0.86 114.38 120.00 2dfy h ARG 79 Ca 0.16 -0.15 -0.25 0.00 -0.81 0.00 0.00 59.98 58.94 2dfy h ARG 79 Cb 0.15 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2dfy h ARG 79 CO -0.17 0.69 -1.27 -0.07 -1.51 0.00 0.00 179.97 177.63 2dfy h LEU 80 N 0.63 0.06 -0.14 3.80 3.38 -0.97 -3.40 115.31 118.67 2dfy h LEU 80 Ca 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dfy h LEU 80 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2dfy h LEU 80 CO -0.01 1.07 0.00 0.49 0.09 0.00 0.00 178.44 180.08 2dfy n PHE 81 N -3.28 0.00 -1.43 1.13 3.72 0.13 -5.07 117.46 112.67 2dfy n PHE 81 Ca -0.07 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.02 2dfy n PHE 81 Cb 0.99 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.60 2dfy n PHE 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2dfy s GLY 82 N -0.52 1.67 -0.60 1.37 0.00 0.30 -4.95 107.32 104.59 2dfy s GLY 82 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.59 2dfy s GLY 82 CO 0.00 0.48 1.25 -1.31 0.00 0.00 0.00 173.10 173.52 2dfy s ASN 83 N -3.62 6.35 0.78 1.64 0.01 -1.26 -4.80 114.94 114.04 2dfy s ASN 83 Ca 0.60 0.07 -0.12 0.00 -0.71 0.00 0.00 52.86 52.70 2dfy s ASN 83 Cb -0.15 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.01 2dfy s ASN 83 CO 0.55 -1.57 1.11 -0.94 -1.51 0.00 0.00 177.10 174.75 2dfy s SER 84 N 3.33 4.75 0.00 -1.22 1.04 -1.26 -3.29 113.70 117.04 2dfy s SER 84 Ca 0.44 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.02 2dfy s SER 84 Cb -0.08 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2dfy s SER 84 CO 0.24 -1.79 0.00 0.61 0.98 0.00 0.00 173.24 173.28 2dfy n GLY 85 N -2.58 5.90 3.18 7.32 0.00 -0.37 -4.93 105.19 113.72 2dfy n GLY 85 Ca 0.07 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 2dfy n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfy s ALA 86 N -2.00 -0.68 -0.13 4.61 0.00 -1.26 -0.24 121.76 122.06 2dfy s ALA 86 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 2dfy s ALA 86 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2dfy s ALA 86 CO 0.00 -0.16 1.04 0.00 0.00 0.00 0.00 175.76 176.63 2dfy h SER 88 N 7.22 0.00 0.05 0.00 0.02 -1.51 0.22 113.55 119.55 2dfy h SER 88 Ca -0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2dfy h SER 88 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dfy h SER 88 CO 0.88 0.16 -0.02 0.00 -1.14 0.00 0.00 176.83 176.71 2dfy h ALA 89 N 1.84 -0.07 -0.00 3.77 0.00 -1.91 -3.40 119.26 119.49 2dfy h ALA 89 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dfy h ALA 89 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dfy h ALA 89 CO 0.02 -0.09 -0.77 0.00 0.00 0.00 0.00 179.25 178.41 2dfy n GLY 91 N 1.39 2.03 3.84 0.00 0.00 0.78 -5.00 105.19 108.22 2dfy n GLY 91 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2dfy n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dfy s GLN 92 N -0.18 4.08 0.68 1.61 -1.52 -1.26 -4.57 119.66 118.50 2dfy s GLN 92 Ca 0.00 0.67 -0.17 0.00 -1.95 0.00 0.00 55.36 53.91 2dfy s GLN 92 Cb 0.00 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 2dfy s GLN 92 CO 0.00 0.34 1.16 -1.13 -0.25 0.00 0.00 175.29 175.41 2dfy n SER 93 N 0.35 1.38 -4.16 5.90 3.41 -1.26 -1.18 113.62 118.06 2dfy n SER 93 Ca -0.01 0.76 -0.31 0.00 -0.26 0.00 0.00 58.87 59.04 2dfy n SER 93 Cb 0.52 -1.49 -0.17 0.00 -0.26 0.00 0.00 64.21 62.81 2dfy n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dfy s ILE 94 N -1.60 1.91 0.61 -1.33 1.01 0.67 -4.77 121.20 117.71 2dfy s ILE 94 Ca 0.79 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 2dfy s ILE 94 Cb -0.37 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 2dfy s ILE 94 CO 0.45 0.52 1.12 -2.84 0.00 0.00 0.00 174.94 174.19 2dfy s PRO 95 N 0.70 3.03 0.60 2.79 0.02 -1.26 -1.23 135.00 139.64 2dfy s PRO 95 Ca -0.11 1.48 0.29 0.00 0.02 0.00 0.00 61.00 62.68 2dfy s PRO 95 Cb -0.16 -1.97 1.45 0.00 0.02 0.00 0.00 34.50 33.83 2dfy s PRO 95 CO 0.02 -1.09 1.86 0.00 -0.33 0.00 0.00 177.00 177.46 2dfy h ALA 96 N 0.51 2.16 0.00 -1.55 0.00 -1.86 -1.80 119.26 116.72 2dfy h ALA 96 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dfy h ALA 96 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2dfy h ALA 96 CO 0.55 -0.75 -0.30 -1.13 0.00 0.00 0.00 179.25 177.62 2dfy n SER 97 N -3.61 0.43 -4.81 0.00 3.41 -1.26 -1.64 113.62 106.14 2dfy n SER 97 Ca 0.08 0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.51 2dfy n SER 97 Cb 0.70 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 2dfy n SER 97 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2dfy s GLU 98 N -3.05 4.25 0.36 4.33 2.12 -0.68 -4.85 118.70 121.18 2dfy s GLU 98 Ca 0.11 0.83 -0.26 0.00 0.36 0.00 0.00 54.97 56.01 2dfy s GLU 98 Cb 0.16 -2.99 -0.09 0.00 0.26 0.00 0.00 34.13 31.47 2dfy s GLU 98 CO 0.64 0.47 1.05 -0.51 -0.54 0.00 0.00 175.26 176.36 2dfy s LEU 99 N -1.73 4.28 0.07 2.70 1.43 -1.26 -1.66 118.68 122.51 2dfy s LEU 99 Ca 0.39 2.07 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 2dfy s LEU 99 Cb -0.18 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 2dfy s LEU 99 CO 0.21 -0.34 -0.07 0.68 0.23 0.00 0.00 176.35 177.05 2dfy s VAL 100 N -1.52 0.62 0.16 -1.59 -7.23 0.14 -4.47 120.40 106.52 2dfy s VAL 100 Ca 0.53 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 2dfy s VAL 100 Cb -0.24 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 2dfy s VAL 100 CO 0.31 -0.61 0.42 -0.04 -0.31 0.00 0.00 175.10 174.87 2dfy s MET 101 N -2.65 3.67 -0.02 4.82 -1.94 -0.49 -1.98 119.30 120.71 2dfy s MET 101 Ca 0.00 0.02 0.07 0.00 -1.71 0.00 0.00 55.69 54.07 2dfy s MET 101 Cb -0.03 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 2dfy s MET 101 CO -0.02 0.43 -0.22 1.03 -0.01 0.00 0.00 175.02 176.23 2dfy s ARG 102 N -2.67 1.84 -0.21 2.03 0.52 -1.26 -0.15 118.95 119.05 2dfy s ARG 102 Ca 0.42 -0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 54.72 2dfy s ARG 102 Cb -0.12 -1.76 0.07 0.00 0.52 0.00 0.00 34.95 33.66 2dfy s ARG 102 CO 0.23 0.46 0.52 0.00 0.02 0.00 0.00 175.30 176.54 2dfy s ALA 103 N -0.48 -1.36 -1.60 2.13 0.00 -0.81 -4.79 121.76 114.85 2dfy s ALA 103 Ca 0.07 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.70 2dfy s ALA 103 Cb -0.09 -1.09 0.12 0.00 0.00 0.00 0.00 23.12 22.06 2dfy s ALA 103 CO -0.00 -0.30 0.84 1.04 0.00 0.00 0.00 175.76 177.33 2dfy n GLN 104 N 4.09 -4.13 -1.00 0.00 1.13 -1.26 -0.32 117.38 115.89 2dfy n GLN 104 Ca -0.21 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 2dfy n GLN 104 Cb 0.57 -5.27 0.00 0.00 0.11 0.00 0.00 30.24 25.64 2dfy n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dfy n GLY 105 N -1.48 0.43 3.86 1.08 0.00 -1.26 -5.03 105.19 102.79 2dfy n GLY 105 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2dfy n GLY 105 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dfy s ASN 106 N -2.02 5.45 0.09 1.61 0.02 0.56 -5.14 114.94 115.50 2dfy s ASN 106 Ca 0.00 -0.38 0.09 0.00 -1.02 0.00 0.00 52.86 51.55 2dfy s ASN 106 Cb 0.00 -1.16 -0.03 0.00 0.02 0.00 0.00 41.25 40.08 2dfy s ASN 106 CO 0.00 -0.25 -0.23 0.68 0.02 0.00 0.00 177.10 177.33 2dfy s VAL 107 N -2.23 1.85 0.02 1.60 -7.23 -1.26 -1.92 120.40 111.23 2dfy s VAL 107 Ca 0.38 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 2dfy s VAL 107 Cb -0.07 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2dfy s VAL 107 CO 0.26 0.07 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.75 2dfy s TYR 108 N -1.02 0.59 0.49 2.82 1.51 0.79 -1.22 117.35 121.31 2dfy s TYR 108 Ca 0.09 -0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 2dfy s TYR 108 Cb -0.10 -0.36 -0.07 0.00 -0.11 0.00 0.00 41.96 41.32 2dfy s TYR 108 CO 0.04 -0.05 1.31 0.72 -1.11 0.00 0.00 175.55 176.46 2dfy n HIS 109 N 2.09 2.20 -0.26 2.71 8.25 -1.26 -1.40 115.22 127.55 2dfy n HIS 109 Ca -0.19 0.46 0.03 0.00 -0.26 0.00 0.00 57.72 57.77 2dfy n HIS 109 Cb 0.56 -2.37 0.16 0.00 1.12 0.00 0.00 29.99 29.47 2dfy n HIS 109 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dfy h LEU 110 N 1.77 0.42 0.00 2.41 4.07 -1.94 0.89 115.31 122.93 2dfy h LEU 110 Ca -0.49 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2dfy h LEU 110 Cb 1.30 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.05 2dfy h LEU 110 CO 0.58 0.21 0.00 0.29 -1.08 0.00 0.00 178.44 178.45 2dfy n LYS 111 N -4.90 0.48 0.00 1.13 5.02 -1.26 -2.29 118.16 116.34 2dfy n LYS 111 Ca 0.13 0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 2dfy n LYS 111 Cb 0.34 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 2dfy n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dfy n PHE 113 N -1.37 4.16 -4.43 0.00 7.35 -0.97 -4.91 117.46 117.30 2dfy n PHE 113 Ca 0.05 -3.07 -0.22 0.00 -0.76 0.00 0.00 57.45 53.45 2dfy n PHE 113 Cb 0.34 -2.21 -0.10 0.00 0.35 0.00 0.00 39.48 37.86 2dfy n PHE 113 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dfy s THR 114 N 1.74 2.04 0.02 -2.13 -4.23 -1.26 -1.21 115.64 110.61 2dfy s THR 114 Ca 0.44 -2.26 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 2dfy s THR 114 Cb 0.04 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 2dfy s THR 114 CO 0.01 -0.43 1.33 0.00 -0.54 0.00 0.00 174.62 174.99 2dfy h SER 116 N 7.39 0.00 0.00 0.00 0.02 0.14 0.15 113.55 121.24 2dfy h SER 116 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2dfy h SER 116 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2dfy h SER 116 CO 0.87 0.12 -0.40 0.74 -1.14 0.00 0.00 176.83 177.02 2dfy h THR 117 N 0.00 0.00 0.00 -2.27 2.02 -1.92 -3.42 112.91 107.32 2dfy h THR 117 Ca -0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2dfy h THR 117 Cb 0.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2dfy h THR 117 CO 0.02 0.00 -0.93 0.00 0.37 0.00 0.00 175.52 174.98 2dfy n ARG 119 N -2.03 -0.11 -1.74 0.00 1.74 0.04 -4.98 116.66 109.58 2dfy n ARG 119 Ca 0.02 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 2dfy n ARG 119 Cb 0.44 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 2dfy n ARG 119 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2dfy n ASN 120 N -0.05 3.27 -4.70 0.55 4.13 -1.26 -4.50 115.26 112.70 2dfy n ASN 120 Ca 0.00 1.19 -0.42 0.00 1.68 0.00 0.00 54.58 57.03 2dfy n ASN 120 Cb 0.03 -1.56 -0.03 0.00 -1.54 0.00 0.00 39.78 36.68 2dfy n ASN 120 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2dfy s ARG 121 N -2.10 4.44 0.17 3.52 3.52 -1.26 -0.28 118.95 126.96 2dfy s ARG 121 Ca 0.56 1.56 -0.20 0.00 -0.13 0.00 0.00 55.73 57.52 2dfy s ARG 121 Cb -0.50 -3.49 -0.08 0.00 -1.56 0.00 0.00 34.95 29.32 2dfy s ARG 121 CO 0.62 -0.27 0.68 -0.51 -0.81 0.00 0.00 175.30 175.00 2dfy s LEU 122 N 1.62 4.42 0.10 -0.88 1.43 -0.35 -4.96 118.68 120.05 2dfy s LEU 122 Ca 0.54 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2dfy s LEU 122 Cb -0.23 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2dfy s LEU 122 CO 0.24 0.12 -0.06 0.68 0.23 0.00 0.00 176.35 177.55 2dfy s VAL 123 N -1.37 0.68 0.24 -1.59 -7.23 -1.26 -4.92 120.40 104.94 2dfy s VAL 123 Ca 0.38 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 2dfy s VAL 123 Cb -0.18 -1.68 -0.15 0.00 0.56 0.00 0.00 36.38 34.93 2dfy s VAL 123 CO 0.21 -0.87 0.99 -2.65 -0.31 0.00 0.00 175.10 172.47 2dfy n PRO 124 N -0.04 1.09 0.00 4.82 -0.02 -1.26 -1.39 135.00 138.20 2dfy n PRO 124 Ca -0.12 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2dfy n PRO 124 Cb 0.61 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2dfy n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfy n GLY 125 N 1.59 3.15 3.75 -1.23 0.00 -0.19 -4.94 105.19 107.31 2dfy n GLY 125 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2dfy n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfy n ASP 126 N 0.11 3.16 -4.79 1.61 8.00 -0.48 -4.65 116.55 119.51 2dfy n ASP 126 Ca 0.00 1.13 -0.39 0.00 0.71 0.00 0.00 54.79 56.24 2dfy n ASP 126 Cb 0.00 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.46 2dfy n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dfy s ARG 127 N -2.36 4.46 0.27 -1.24 0.52 -1.26 -0.63 118.95 118.71 2dfy s ARG 127 Ca 0.60 1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 56.75 2dfy s ARG 127 Cb -0.47 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2dfy s ARG 127 CO 0.58 0.55 0.51 -0.59 0.02 0.00 0.00 175.30 176.37 2dfy s PHE 128 N -1.21 0.39 0.09 -0.53 -0.71 0.11 -2.30 117.98 113.82 2dfy s PHE 128 Ca 0.36 -0.76 0.08 0.00 -1.04 0.00 0.00 56.93 55.57 2dfy s PHE 128 Cb -0.21 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2dfy s PHE 128 CO 0.24 -1.05 -0.21 -1.01 -1.34 0.00 0.00 175.22 171.85 2dfy s HIS 129 N -3.83 1.81 -0.08 3.49 3.76 0.45 -0.32 115.29 120.57 2dfy s HIS 129 Ca 0.22 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2dfy s HIS 129 Cb -0.01 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.70 2dfy s HIS 129 CO 0.10 0.19 -0.06 -0.47 -0.85 0.00 0.00 174.74 173.66 2dfy s TYR 130 N -1.10 1.09 -0.22 1.40 6.14 -1.26 -1.15 117.35 122.24 2dfy s TYR 130 Ca 0.07 -0.43 -0.03 0.00 0.64 0.00 0.00 57.07 57.32 2dfy s TYR 130 Cb -0.10 -0.96 0.07 0.00 0.42 0.00 0.00 41.96 41.40 2dfy s TYR 130 CO 0.04 -0.35 0.07 0.42 0.64 0.00 0.00 175.55 176.37 2dfy s ILE 131 N 1.41 0.39 -1.37 3.14 1.01 -0.05 -4.43 121.20 121.30 2dfy s ILE 131 Ca -0.02 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2dfy s ILE 131 Cb -0.13 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.31 2dfy s ILE 131 CO -0.03 -0.37 0.90 0.59 0.00 0.00 0.00 174.94 176.02 2dfy n ASN 132 N 5.08 -3.13 0.00 3.58 3.02 -1.26 -1.44 115.26 121.12 2dfy n ASN 132 Ca -0.07 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2dfy n ASN 132 Cb 0.46 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 2dfy n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dfy n GLY 133 N -1.61 1.94 3.77 7.41 0.00 -1.26 -5.02 105.19 110.41 2dfy n GLY 133 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2dfy n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dfy s SER 134 N -3.32 6.51 -0.12 1.61 0.01 -0.52 -5.02 113.70 112.85 2dfy s SER 134 Ca 0.00 0.61 -0.06 0.00 1.31 0.00 0.00 55.95 57.81 2dfy s SER 134 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2dfy s SER 134 CO 0.00 0.18 0.09 -0.76 0.41 0.00 0.00 173.24 173.16 2dfy s LEU 135 N -0.02 4.11 -0.01 2.44 1.43 -1.26 -0.87 118.68 124.49 2dfy s LEU 135 Ca 0.18 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2dfy s LEU 135 Cb -0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2dfy s LEU 135 CO 0.06 0.37 -0.05 -0.36 0.23 0.00 0.00 176.35 176.60 2dfy s PHE 136 N -0.82 0.54 0.87 0.29 0.08 -0.30 0.17 117.98 118.81 2dfy s PHE 136 Ca 0.13 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 2dfy s PHE 136 Cb -0.12 -0.39 0.11 0.00 -0.57 0.00 0.00 43.02 42.06 2dfy s PHE 136 CO 0.03 -0.04 1.13 0.00 -0.10 0.00 0.00 175.22 176.24 2dfy h GLU 138 N -1.35 0.18 -0.10 0.00 4.81 -1.82 -0.38 114.58 115.93 2dfy h GLU 138 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2dfy h GLU 138 Cb 1.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2dfy h GLU 138 CO 0.62 0.12 0.00 0.72 -0.73 0.00 0.00 179.01 179.74 2dfy n HIS 139 N -4.42 0.10 -1.92 0.92 8.25 -1.26 -3.84 115.22 113.06 2dfy n HIS 139 Ca 0.12 -0.05 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 2dfy n HIS 139 Cb 0.59 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.78 2dfy n HIS 139 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2dfy n ASP 140 N 0.88 3.88 -4.68 0.41 8.00 -0.16 -5.05 116.55 119.83 2dfy n ASP 140 Ca 0.17 -3.74 -0.53 0.00 0.71 0.00 0.00 54.79 51.39 2dfy n ASP 140 Cb 0.49 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2dfy n ASP 140 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2dfy n ARG 141 N -0.82 1.56 -1.97 -1.24 0.63 -1.20 -4.62 116.66 109.01 2dfy n ARG 141 Ca 0.36 0.57 -0.42 0.00 -0.92 0.00 0.00 57.85 57.43 2dfy n ARG 141 Cb 0.89 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.49 2dfy n ARG 141 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2dfy n PRO 142 N 5.27 3.11 -0.26 -0.14 -0.04 -1.26 -4.78 135.00 136.90 2dfy n PRO 142 Ca 0.23 -2.93 0.05 0.00 -0.04 0.00 0.00 63.50 60.81 2dfy n PRO 142 Cb 0.20 -3.19 0.28 0.00 -0.04 0.00 0.00 33.50 30.75 2dfy n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dfy h THR 143 N 4.01 1.06 -0.68 0.52 1.03 -1.90 0.27 112.91 117.23 2dfy h THR 143 Ca 0.51 -0.32 -0.04 0.00 -0.01 0.00 0.00 66.41 66.54 2dfy h THR 143 Cb 0.65 0.03 -0.03 0.00 -1.07 0.00 0.00 68.15 67.74 2dfy h THR 143 CO 1.78 0.17 0.27 0.00 -0.01 0.00 0.00 175.52 177.73 2dfy h ALA 144 N 1.54 0.88 -0.43 0.00 0.00 -2.01 -2.69 119.26 116.55 2dfy h ALA 144 Ca 0.36 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2dfy h ALA 144 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2dfy h ALA 144 CO -0.13 0.50 0.02 -0.07 0.00 0.00 0.00 179.25 179.58 2dfy h LEU 145 N 0.96 0.73-10.20 0.00 3.38 -1.58 -3.56 115.31 105.05 2dfy h LEU 145 Ca 0.22 -0.29 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 2dfy h LEU 145 Cb 0.22 -0.19 0.12 0.00 0.09 0.00 0.00 40.66 40.90 2dfy h LEU 145 CO -0.02 0.84 0.37 -0.63 0.09 0.00 0.00 178.44 179.10 2dfy s ILE 146 N -5.07 2.88 0.00 1.22 1.01 -0.05 -5.12 121.20 116.07 2dfy s ILE 146 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2dfy s ILE 146 Cb 0.11 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2dfy s ILE 146 CO 0.80 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2dfy n GLY 298 N -0.19 2.37 0.12 6.18 0.00 -1.26 -4.89 105.19 107.52 2dfy n GLY 298 Ca 0.11 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2dfy n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfy n GLY 299 N 0.00 -1.38 3.68 -0.02 0.00 -1.26 -4.52 105.19 101.68 2dfy n GLY 299 Ca 0.00 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2dfy n GLY 299 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfy s ASP 300 N -4.25 6.57 -0.06 1.61 1.01 -1.26 -4.98 116.67 115.32 2dfy s ASP 300 Ca 0.06 2.48 -0.29 0.00 0.71 0.00 0.00 52.55 55.51 2dfy s ASP 300 Cb 0.10 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2dfy s ASP 300 CO 0.44 -0.94 0.98 -0.69 0.21 0.00 0.00 175.17 175.17 2dfy s VAL 301 N 3.37 4.83 0.23 -1.27 1.01 -1.26 -4.59 120.40 122.72 2dfy s VAL 301 Ca 0.77 2.02 0.10 0.00 0.00 0.00 0.00 61.98 64.87 2dfy s VAL 301 Cb -0.39 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2dfy s VAL 301 CO 0.34 0.08 -0.10 -0.04 0.00 0.00 0.00 175.10 175.37 2dfy s MET 302 N 1.56 2.01 -0.15 2.72 -1.94 0.57 -4.92 119.30 119.15 2dfy s MET 302 Ca 0.49 -1.45 -0.03 0.00 -1.71 0.00 0.00 55.69 52.99 2dfy s MET 302 Cb -0.19 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.58 2dfy s MET 302 CO 0.22 0.38 -0.05 0.08 -0.01 0.00 0.00 175.02 175.64 2dfy s VAL 303 N -2.10 3.73 0.11 -6.03 1.01 -1.26 0.08 120.40 115.94 2dfy s VAL 303 Ca 0.28 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 2dfy s VAL 303 Cb -0.07 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 2dfy s VAL 303 CO 0.16 0.49 1.44 -0.69 0.00 0.00 0.00 175.10 176.51 2dfy s VAL 304 N 0.42 3.20 0.65 2.92 1.01 0.20 -4.87 120.40 123.93 2dfy s VAL 304 Ca -0.05 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 2dfy s VAL 304 Cb -0.15 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.75 2dfy s VAL 304 CO 0.03 0.05 0.94 -0.83 0.00 0.00 0.00 175.10 175.30 2dfy s GLY 305 N 1.28 1.69 0.51 4.51 0.00 -1.26 -1.03 107.32 113.03 2dfy s GLY 305 Ca 0.66 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 44.20 2dfy s GLY 305 CO 0.30 -0.60 1.26 -0.54 0.00 0.00 0.00 173.10 173.52 2dfy s GLU 306 N -5.10 3.41 0.91 2.90 0.41 -1.26 -4.31 118.70 115.65 2dfy s GLU 306 Ca 0.58 1.99 -0.10 0.00 -0.41 0.00 0.00 54.97 57.03 2dfy s GLU 306 Cb -0.11 -2.30 0.14 0.00 -1.78 0.00 0.00 34.13 30.09 2dfy s GLU 306 CO 0.43 -0.90 1.14 -2.14 -0.49 0.00 0.00 175.26 173.30 2dfy s PRO 307 N -2.85 1.09 0.07 0.39 0.02 -1.26 -4.91 135.00 127.55 2dfy s PRO 307 Ca 0.68 1.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 2dfy s PRO 307 Cb -0.34 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 2dfy s PRO 307 CO 0.40 -2.56 -0.01 0.95 -0.33 0.00 0.00 177.00 175.46 2dfy s THR 308 N -2.67 0.20 0.32 0.99 -4.23 -0.84 -4.90 115.64 104.50 2dfy s THR 308 Ca 0.66 -1.81 -0.28 0.00 -1.18 0.00 0.00 61.69 59.08 2dfy s THR 308 Cb -0.22 -1.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.91 2dfy s THR 308 CO 0.58 -0.89 1.10 -0.76 -0.54 0.00 0.00 174.62 174.11 2dfy s LEU 309 N -2.94 4.43 0.12 4.79 1.43 -1.26 0.26 118.68 125.51 2dfy s LEU 309 Ca 0.10 2.25 -0.18 0.00 -1.03 0.00 0.00 54.13 55.26 2dfy s LEU 309 Cb 0.08 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2dfy s LEU 309 CO -0.08 -0.28 1.74 -0.03 0.23 0.00 0.00 176.35 177.93 2dfy h MET 310 N 3.42 0.39 0.00 1.70 1.85 -1.27 -2.12 114.93 118.89 2dfy h MET 310 Ca -0.47 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.57 2dfy h MET 310 Cb 1.21 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.17 2dfy h MET 310 CO 0.65 0.32 -0.04 0.78 -0.40 0.00 0.00 176.91 178.22 2dfy h GLY 311 N 0.35 0.00 0.00 1.39 0.00 -1.30 -3.46 103.07 100.05 2dfy h GLY 311 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2dfy h GLY 311 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 2dfy n GLY 312 N -0.37 0.34 3.80 4.60 0.00 -0.80 -4.56 105.19 108.20 2dfy n GLY 312 Ca -0.01 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 2dfy n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dfy s GLU 313 N 0.00 4.34 0.07 1.61 2.02 -1.26 -4.98 118.70 120.49 2dfy s GLU 313 Ca 0.00 1.24 0.01 0.00 0.02 0.00 0.00 54.97 56.24 2dfy s GLU 313 Cb 0.00 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 2dfy s GLU 313 CO 0.00 0.06 -0.06 -0.59 0.02 0.00 0.00 175.26 174.69 2dfy s PHE 314 N -1.92 0.73 0.92 1.61 -0.71 -1.26 -5.07 117.98 112.28 2dfy s PHE 314 Ca 0.58 -0.84 -0.12 0.00 -1.04 0.00 0.00 56.93 55.50 2dfy s PHE 314 Cb -0.14 -0.45 0.14 0.00 -1.21 0.00 0.00 43.02 41.37 2dfy s PHE 314 CO 0.18 -0.19 1.11 0.20 -1.34 0.00 0.00 175.22 175.18 2dfy s GLY 315 N -2.63 1.59 -0.21 1.99 0.00 -1.26 -4.98 107.32 101.81 2dfy s GLY 315 Ca 0.05 -0.32 0.15 0.00 0.00 0.00 0.00 44.72 44.60 2dfy s GLY 315 CO -0.05 0.22 1.56 2.09 0.00 0.00 0.00 173.10 176.93 2dfy n ASP 316 N -3.88 4.50 0.27 1.64 5.68 -1.26 -4.69 116.55 118.80 2dfy n ASP 316 Ca 0.06 -3.05 0.12 0.00 -0.50 0.00 0.00 54.79 51.42 2dfy n ASP 316 Cb 0.57 -0.61 0.75 0.00 -1.14 0.00 0.00 41.12 40.69 2dfy n ASP 316 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2dfy h GLU 317 N 2.53 0.00 -0.02 0.11 9.09 -2.01 -1.69 114.58 122.58 2dfy h GLU 317 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 2dfy h GLU 317 Cb 1.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.80 2dfy h GLU 317 CO 0.36 0.07 -0.12 -0.25 0.05 0.00 0.00 179.01 179.11 2dfy n ASP 318 N -3.97 2.64 -4.74 3.06 8.00 -1.26 -4.97 116.55 115.32 2dfy n ASP 318 Ca -0.03 -1.82 -0.41 0.00 0.71 0.00 0.00 54.79 53.25 2dfy n ASP 318 Cb 0.16 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 2dfy n ASP 318 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dfy s GLU 319 N -2.02 4.74 -0.21 -1.24 2.12 -0.64 -0.97 118.70 120.48 2dfy s GLU 319 Ca 0.24 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 57.04 2dfy s GLU 319 Cb 0.18 -3.33 0.06 0.00 0.26 0.00 0.00 34.13 31.30 2dfy s GLU 319 CO 0.35 0.30 0.02 1.03 -0.54 0.00 0.00 175.26 176.43 2dfy s ARG 320 N -0.44 0.87 0.61 4.30 1.81 0.10 -4.96 118.95 121.24 2dfy s ARG 320 Ca 0.45 -0.60 -0.18 0.00 -1.72 0.00 0.00 55.73 53.68 2dfy s ARG 320 Cb -0.25 -2.21 -0.02 0.00 -0.45 0.00 0.00 34.95 32.02 2dfy s ARG 320 CO 0.31 -0.66 1.20 -0.51 -0.68 0.00 0.00 175.30 174.96 2dfy s LEU 321 N 1.74 3.60 -0.15 2.53 1.43 -1.26 -1.01 118.68 125.56 2dfy s LEU 321 Ca -0.01 2.36 -0.05 0.00 -1.03 0.00 0.00 54.13 55.40 2dfy s LEU 321 Cb -0.17 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 2dfy s LEU 321 CO -0.09 -1.68 0.02 -0.63 0.23 0.00 0.00 176.35 174.20 2dfy s ILE 322 N -1.69 4.45 -0.19 -0.59 1.01 -0.27 -4.54 121.20 119.38 2dfy s ILE 322 Ca 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 61.20 2dfy s ILE 322 Cb -0.29 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2dfy s ILE 322 CO 0.35 0.52 -0.02 -0.89 0.00 0.00 0.00 174.94 174.90 2dfy s THR 323 N -0.04 3.84 -0.18 2.92 2.01 -0.07 -4.81 115.64 119.31 2dfy s THR 323 Ca 0.04 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 2dfy s THR 323 Cb -0.13 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 2dfy s THR 323 CO 0.02 0.44 0.73 -0.13 -0.69 0.00 0.00 174.62 174.99 2dfy s ARG 324 N 0.92 4.26 0.08 4.92 0.52 -1.26 -0.57 118.95 127.81 2dfy s ARG 324 Ca 0.01 0.83 0.09 0.00 -0.52 0.00 0.00 55.73 56.14 2dfy s ARG 324 Cb -0.14 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.72 2dfy s ARG 324 CO 0.02 -0.27 -0.24 -0.51 0.02 0.00 0.00 175.30 174.31 2dfy s LEU 325 N 1.99 2.36 -0.10 2.53 1.43 -0.08 -5.00 118.68 121.82 2dfy s LEU 325 Ca 0.34 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2dfy s LEU 325 Cb -0.16 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 2dfy s LEU 325 CO 0.12 0.23 0.25 -0.70 0.23 0.00 0.00 176.35 176.47 2dfy s GLU 326 N -1.61 3.78 0.00 1.70 2.12 -1.26 -0.98 118.70 122.45 2dfy s GLU 326 Ca 0.14 0.06 0.28 0.00 0.36 0.00 0.00 54.97 55.81 2dfy s GLU 326 Cb -0.10 -3.26 1.69 0.00 0.26 0.00 0.00 34.13 32.72 2dfy s GLU 326 CO 0.05 0.62 2.03 -1.71 -0.54 0.00 0.00 175.26 175.70