#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmp s SER 2 N 0.00 7.25 -0.17 1.61 1.04 -1.26 -4.98 113.70 117.19 2dmp s SER 2 Ca 0.00 1.50 -0.15 0.00 0.48 0.00 0.00 55.95 57.78 2dmp s SER 2 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 2dmp s SER 2 CO 0.00 -0.07 -0.28 -0.24 0.98 0.00 0.00 173.24 173.64 2dmp n SER 3 N 3.14 1.89 0.00 7.02 2.88 -1.26 -5.10 113.62 122.19 2dmp n SER 3 Ca -0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2dmp n SER 3 Cb 0.50 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2dmp n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmp n GLY 4 N 1.51 2.74 0.13 0.46 0.00 -1.26 -5.07 105.19 103.70 2dmp n GLY 4 Ca -0.13 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2dmp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmp n SER 5 N 0.00 1.92 -4.49 1.61 2.88 -1.26 -4.98 113.62 109.30 2dmp n SER 5 Ca 0.00 0.37 -0.32 0.00 -1.33 0.00 0.00 58.87 57.59 2dmp n SER 5 Cb 0.00 -0.87 0.15 0.00 -0.75 0.00 0.00 64.21 62.74 2dmp n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dmp n SER 6 N -4.33 -1.31 -4.84 -3.46 2.88 -1.26 -5.02 113.62 96.28 2dmp n SER 6 Ca -0.45 0.29 -0.23 0.00 -1.33 0.00 0.00 58.87 57.15 2dmp n SER 6 Cb 0.80 -1.28 -0.04 0.00 -0.75 0.00 0.00 64.21 62.94 2dmp n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmp s GLY 7 N -2.23 2.22 -0.13 0.46 0.00 -1.26 -5.13 107.32 101.25 2dmp s GLY 7 Ca 0.61 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 2dmp s GLY 7 CO 0.64 -1.79 0.01 0.00 0.00 0.00 0.00 173.10 171.96 2dmp s ALA 8 N -2.55 0.88 0.13 3.20 0.00 -1.26 -5.12 121.76 117.04 2dmp s ALA 8 Ca 0.44 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.67 2dmp s ALA 8 Cb -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 2dmp s ALA 8 CO 0.26 -0.80 1.65 1.52 0.00 0.00 0.00 175.76 178.39 2dmp s TYR 9 N 1.90 2.67 -2.00 0.00 1.13 -1.26 -4.85 117.35 114.94 2dmp s TYR 9 Ca 0.02 0.39 0.05 0.00 -1.41 0.00 0.00 57.07 56.12 2dmp s TYR 9 Cb -0.15 -4.00 0.31 0.00 -1.10 0.00 0.00 41.96 37.03 2dmp s TYR 9 CO -0.07 -3.89 0.77 -0.35 -2.51 0.00 0.00 175.55 169.51 2dmp n PRO 10 N 4.84 0.48 -3.35 -3.49 -0.04 -1.26 -4.71 135.00 127.47 2dmp n PRO 10 Ca 0.15 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 2dmp n PRO 10 Cb 0.39 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 2dmp n PRO 10 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dmp s ASP 11 N -1.68 6.69 -0.25 3.54 -1.08 -1.26 -5.06 116.67 117.57 2dmp s ASP 11 Ca 0.08 0.82 -0.17 0.00 -0.52 0.00 0.00 52.55 52.76 2dmp s ASP 11 Cb 0.04 -2.28 0.07 0.00 -1.46 0.00 0.00 42.92 39.29 2dmp s ASP 11 CO 0.06 0.05 0.63 0.72 0.52 0.00 0.00 175.17 177.16 2dmp s PHE 12 N 0.36 -0.87 0.77 -5.34 -0.12 -1.26 -5.16 117.98 106.36 2dmp s PHE 12 Ca 0.25 1.86 -0.13 0.00 -0.05 0.00 0.00 56.93 58.87 2dmp s PHE 12 Cb -0.15 0.44 0.06 0.00 -0.63 0.00 0.00 43.02 42.74 2dmp s PHE 12 CO 0.10 -0.43 1.14 0.00 -0.05 0.00 0.00 175.22 175.98 2dmp s ALA 13 N 1.13 2.08 0.91 1.99 0.00 -1.26 -5.01 121.76 121.61 2dmp s ALA 13 Ca -0.06 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2dmp s ALA 13 Cb -0.05 -3.38 0.14 0.00 0.00 0.00 0.00 23.12 19.82 2dmp s ALA 13 CO -0.11 -1.92 1.09 -1.25 0.00 0.00 0.00 175.76 173.57 2dmp s PRO 14 N -4.39 1.15 -0.10 0.00 0.04 -1.26 -5.07 135.00 125.38 2dmp s PRO 14 Ca 0.67 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2dmp s PRO 14 Cb -0.22 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2dmp s PRO 14 CO 0.50 -2.30 -0.08 -0.65 0.04 0.00 0.00 177.00 174.50 2dmp s GLN 15 N -4.94 1.51 0.01 4.56 -0.21 -1.26 -5.14 119.66 114.20 2dmp s GLN 15 Ca 0.64 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.75 2dmp s GLN 15 Cb -0.18 -1.49 -0.04 0.00 1.00 0.00 0.00 33.01 32.31 2dmp s GLN 15 CO 0.57 -0.18 0.02 -1.59 -2.12 0.00 0.00 175.29 171.99 2dmp s LYS 16 N 1.40 2.83 -0.14 2.91 -2.85 -1.26 -5.11 119.74 117.52 2dmp s LYS 16 Ca -0.01 -0.60 -0.06 0.00 -1.00 0.00 0.00 55.97 54.30 2dmp s LYS 16 Cb -0.13 -2.70 -0.04 0.00 -2.06 0.00 0.00 37.83 32.89 2dmp s LYS 16 CO -0.05 0.62 0.06 -0.06 0.10 0.00 0.00 175.35 176.03 2dmp s PHE 17 N -1.13 3.32 1.27 1.78 0.08 -1.26 -5.10 117.98 116.94 2dmp s PHE 17 Ca 0.21 0.23 -0.16 0.00 0.12 0.00 0.00 56.93 57.32 2dmp s PHE 17 Cb -0.12 -1.95 0.32 0.00 -0.57 0.00 0.00 43.02 40.70 2dmp s PHE 17 CO 0.12 0.40 0.99 0.15 -0.10 0.00 0.00 175.22 176.77 2dmp s LYS 18 N -0.37 -1.78 -0.27 0.44 1.02 -1.26 -5.01 119.74 112.51 2dmp s LYS 18 Ca 0.09 0.57 -0.03 0.00 0.02 0.00 0.00 55.97 56.63 2dmp s LYS 18 Cb -0.12 -1.48 0.03 0.00 -0.52 0.00 0.00 37.83 35.75 2dmp s LYS 18 CO 0.02 -4.22 -0.02 -2.00 -0.92 0.00 0.00 175.35 168.20 2dmp s GLU 19 N -4.66 2.76 0.06 1.68 2.56 -1.26 -5.10 118.70 114.74 2dmp s GLU 19 Ca 0.69 -1.04 -0.16 0.00 0.00 0.00 0.00 54.97 54.45 2dmp s GLU 19 Cb -0.21 -3.10 -0.06 0.00 2.00 0.00 0.00 34.13 32.75 2dmp s GLU 19 CO 0.63 -0.47 0.50 0.15 -0.56 0.00 0.00 175.26 175.51 2dmp s LYS 20 N 1.33 4.05 0.16 4.30 1.02 -1.26 -5.09 119.74 124.25 2dmp s LYS 20 Ca -0.01 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.54 2dmp s LYS 20 Cb -0.18 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2dmp s LYS 20 CO -0.02 0.63 0.32 -0.08 -0.92 0.00 0.00 175.35 175.28 2dmp s THR 21 N -1.16 5.27 0.31 2.17 -1.32 -1.26 -4.93 115.64 114.71 2dmp s THR 21 Ca 0.29 -0.44 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 2dmp s THR 21 Cb -0.18 -3.71 0.39 0.00 -1.51 0.00 0.00 72.50 67.50 2dmp s THR 21 CO 0.17 -0.08 1.50 0.00 -2.21 0.00 0.00 174.62 174.00 2dmp n GLN 22 N -0.40 -0.07 0.21 7.08 3.00 -1.26 -0.39 117.38 125.54 2dmp n GLN 22 Ca -0.05 1.41 -0.16 0.00 -0.01 0.00 0.00 57.00 58.19 2dmp n GLN 22 Cb 0.53 -2.29 -0.08 0.00 0.00 0.00 0.00 30.24 28.40 2dmp n GLN 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2dmp h GLY 23 N 0.00 -0.92 0.25 1.08 0.00 -1.99 0.11 103.07 101.60 2dmp h GLY 23 Ca 0.62 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.50 2dmp h GLY 23 CO -0.87 -0.31 -0.06 1.46 0.00 0.00 0.00 176.54 176.76 2dmp h GLN 24 N -0.77 0.04 -0.42 4.80 4.20 -1.09 -1.66 115.11 120.22 2dmp h GLN 24 Ca -0.02 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2dmp h GLN 24 Cb 0.72 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2dmp h GLN 24 CO -0.11 0.03 0.21 0.28 -0.67 0.00 0.00 178.83 178.56 2dmp h VAL 25 N 0.04 0.97 -0.89 -0.54 2.07 -1.06 -2.08 116.25 114.76 2dmp h VAL 25 Ca 0.20 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.69 2dmp h VAL 25 Cb 0.30 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 2dmp h VAL 25 CO -0.38 0.08 0.52 0.50 0.02 0.00 0.00 177.57 178.31 2dmp h LYS 26 N 0.42 0.80 -0.67 1.57 1.63 0.06 0.37 116.57 120.75 2dmp h LYS 26 Ca 0.18 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 2dmp h LYS 26 Cb 0.08 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 2dmp h LYS 26 CO -0.13 0.53 0.19 0.82 -3.45 0.00 0.00 179.45 177.42 2dmp h ILE 27 N 0.83 1.25 0.22 2.00 2.04 -0.68 -2.42 117.51 120.76 2dmp h ILE 27 Ca 0.45 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2dmp h ILE 27 Cb 0.47 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2dmp h ILE 27 CO -0.28 0.34 -0.11 -0.07 0.00 0.00 0.00 178.15 178.04 2dmp h LEU 28 N 1.00 -0.25 -0.99 1.44 3.38 -0.60 -3.03 115.31 116.26 2dmp h LEU 28 Ca 0.22 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.55 2dmp h LEU 28 Cb 0.32 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 40.95 2dmp h LEU 28 CO -0.00 0.12 0.36 -0.33 0.09 0.00 0.00 178.44 178.68 2dmp h GLU 29 N -0.90 0.04 -0.59 1.13 5.08 -0.39 1.53 114.58 120.47 2dmp h GLU 29 Ca -0.03 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2dmp h GLU 29 Cb 0.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2dmp h GLU 29 CO 0.05 0.02 0.12 0.22 -1.00 0.00 0.00 179.01 178.42 2dmp h ASP 30 N 0.04 0.89 0.02 1.42 3.58 -1.52 0.44 116.42 121.29 2dmp h ASP 30 Ca 0.75 -0.18 -0.17 0.00 0.42 0.00 0.00 57.03 57.85 2dmp h ASP 30 Cb 1.83 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 2dmp h ASP 30 CO -0.80 0.88 -0.58 -1.28 -2.88 0.00 0.00 179.24 174.58 2dmp h SER 31 N 0.89 0.64 0.06 2.28 0.87 0.22 -2.81 113.55 115.71 2dmp h SER 31 Ca 0.19 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2dmp h SER 31 Cb 0.36 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2dmp h SER 31 CO 0.00 1.08 -0.03 0.15 -0.53 0.00 0.00 176.83 177.51 2dmp h PHE 32 N 0.43 -0.08 -1.41 2.24 3.57 -0.59 -0.38 116.94 120.72 2dmp h PHE 32 Ca 0.00 -0.00 0.42 0.00 3.53 0.00 0.00 57.97 61.92 2dmp h PHE 32 Cb 1.14 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.82 2dmp h PHE 32 CO 0.05 -0.05 0.98 -0.07 -2.23 0.00 0.00 178.31 176.99 2dmp h LEU 33 N -0.83 0.12 0.13 0.59 3.38 -0.26 0.54 115.31 118.98 2dmp h LEU 33 Ca -0.01 0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.67 2dmp h LEU 33 Cb 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2dmp h LEU 33 CO 0.01 -0.04 -1.76 0.07 0.09 0.00 0.00 178.44 176.81 2dmp h LYS 34 N 0.08 0.28 -1.19 1.13 2.10 -1.59 -3.46 116.57 113.92 2dmp h LYS 34 Ca 0.73 -0.47 -0.02 0.00 -2.00 0.00 0.00 60.65 58.89 2dmp h LYS 34 Cb 2.64 0.18 -0.23 0.00 -0.90 0.00 0.00 32.23 33.92 2dmp h LYS 34 CO -0.15 1.15 -0.40 -1.54 -2.00 0.00 0.00 179.45 176.50 2dmp s SER 35 N -7.01 -1.08 0.27 7.07 1.04 0.18 -5.03 113.70 109.15 2dmp s SER 35 Ca -0.15 0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.46 2dmp s SER 35 Cb 0.06 1.82 0.60 0.00 0.10 0.00 0.00 66.02 68.60 2dmp s SER 35 CO 0.83 -0.31 1.75 0.28 0.98 0.00 0.00 173.24 176.77 2dmp h SER 36 N 8.04 0.50 -3.15 7.02 0.02 -1.55 -3.33 113.55 121.11 2dmp h SER 36 Ca -0.07 0.11 -0.74 0.00 -0.84 0.00 0.00 61.79 60.25 2dmp h SER 36 Cb 1.17 0.04 -0.23 0.00 0.14 0.00 0.00 62.40 63.52 2dmp h SER 36 CO 0.20 0.17 -0.20 -0.36 -1.14 0.00 0.00 176.83 175.50 2dmp s PHE 37 N -5.94 3.20 1.21 3.45 0.40 -1.26 -4.87 117.98 114.18 2dmp s PHE 37 Ca -0.12 -1.08 -0.20 0.00 -0.60 0.00 0.00 56.93 54.93 2dmp s PHE 37 Cb 0.23 -3.61 0.29 0.00 0.51 0.00 0.00 43.02 40.45 2dmp s PHE 37 CO 0.78 -0.98 1.11 -1.25 0.70 0.00 0.00 175.22 175.58 2dmp s PRO 38 N 1.82 -1.31 0.09 0.24 0.04 -1.25 -5.09 135.00 129.54 2dmp s PRO 38 Ca 0.05 -0.10 0.05 0.00 0.04 0.00 0.00 61.00 61.05 2dmp s PRO 38 Cb -0.27 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2dmp s PRO 38 CO 0.05 -3.76 -0.13 -0.08 0.04 0.00 0.00 177.00 173.12 2dmp s THR 39 N -3.01 1.14 0.23 1.26 -1.32 -1.26 -4.95 115.64 107.74 2dmp s THR 39 Ca 0.71 -1.52 0.06 0.00 -1.21 0.00 0.00 61.69 59.73 2dmp s THR 39 Cb -0.09 -1.28 0.28 0.00 -1.51 0.00 0.00 72.50 69.89 2dmp s THR 39 CO 0.56 -0.36 1.10 0.00 -2.21 0.00 0.00 174.62 173.71 2dmp n GLN 40 N 0.87 -0.05 0.31 7.08 1.13 -1.26 0.53 117.38 125.99 2dmp n GLN 40 Ca -0.18 1.03 -0.15 0.00 -1.94 0.00 0.00 57.00 55.76 2dmp n GLN 40 Cb 0.56 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 29.14 2dmp n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dmp h ALA 41 N 1.41 -0.80 0.01 -1.58 0.00 -2.00 -2.71 119.26 113.58 2dmp h ALA 41 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2dmp h ALA 41 Cb 1.12 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2dmp h ALA 41 CO -0.62 -0.82 -0.12 1.49 0.00 0.00 0.00 179.25 179.18 2dmp h GLU 42 N -1.07 -0.16 -0.87 0.00 4.57 -0.31 -2.82 114.58 113.93 2dmp h GLU 42 Ca -0.08 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 2dmp h GLU 42 Cb 0.67 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.19 2dmp h GLU 42 CO 0.13 -0.10 -0.51 1.28 -1.18 0.00 0.00 179.01 178.63 2dmp n LEU 43 N -3.17 -0.92 -0.30 1.64 4.77 -0.32 0.11 117.00 118.80 2dmp n LEU 43 Ca -0.02 1.58 0.25 0.00 -0.03 0.00 0.00 56.01 57.78 2dmp n LEU 43 Cb 0.09 -0.21 0.46 0.00 -2.33 0.00 0.00 43.42 41.43 2dmp n LEU 43 CO 0.03 -1.28 0.90 -0.67 -1.33 0.00 0.00 177.39 175.04 2dmp n ASP 44 N -5.05 0.19 0.03 -1.43 2.03 -1.02 0.11 116.55 111.41 2dmp n ASP 44 Ca 0.02 1.53 -0.19 0.00 0.52 0.00 0.00 54.79 56.67 2dmp n ASP 44 Cb 0.23 -0.69 -0.12 0.00 -0.72 0.00 0.00 41.12 39.82 2dmp n ASP 44 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dmp h ARG 45 N 0.00 0.48 0.04 -0.67 2.43 0.94 -3.07 114.38 114.53 2dmp h ARG 45 Ca 0.71 -0.58 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2dmp h ARG 45 Cb 1.78 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.49 2dmp h ARG 45 CO -0.75 1.21 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.74 2dmp h LEU 46 N 0.00 -0.30 0.21 3.80 3.38 0.27 0.43 115.31 123.10 2dmp h LEU 46 Ca -0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2dmp h LEU 46 Cb 1.54 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2dmp h LEU 46 CO 0.16 -0.16 -0.22 0.03 0.09 0.00 0.00 178.44 178.34 2dmp h ARG 47 N -0.20 -0.42 -0.75 1.13 3.08 -0.64 0.22 114.38 116.80 2dmp h ARG 47 Ca 0.03 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.23 2dmp h ARG 47 Cb 0.23 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 2dmp h ARG 47 CO -0.08 -0.28 0.35 -0.24 -1.07 0.00 0.00 179.97 178.64 2dmp h VAL 48 N -0.44 0.75 0.46 2.04 3.04 -1.53 1.80 116.25 122.38 2dmp h VAL 48 Ca -0.03 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.46 2dmp h VAL 48 Cb 0.38 0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2dmp h VAL 48 CO -0.03 0.10 -0.31 -0.33 -1.01 0.00 0.00 177.57 175.99 2dmp h GLU 49 N 0.55 -0.70 0.00 4.17 4.39 0.12 -2.44 114.58 120.66 2dmp h GLU 49 Ca 0.39 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2dmp h GLU 49 Cb 0.52 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2dmp h GLU 49 CO -0.34 -0.47 0.00 0.25 -1.16 0.00 0.00 179.01 177.30 2dmp n THR 50 N -4.26 0.26 -3.25 1.13 -2.24 0.76 -4.89 114.28 101.79 2dmp n THR 50 Ca -0.09 0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2dmp n THR 50 Cb 0.31 -0.69 0.07 0.00 -2.10 0.00 0.00 70.33 67.91 2dmp n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dmp n LYS 51 N -1.25 -5.83 -4.47 -0.78 4.76 0.57 -4.95 118.16 106.22 2dmp n LYS 51 Ca 0.12 0.69 -0.22 0.00 -2.87 0.00 0.00 58.31 56.02 2dmp n LYS 51 Cb 0.17 -5.25 -0.11 0.00 -1.84 0.00 0.00 35.03 28.00 2dmp n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dmp s LEU 52 N -5.78 2.32 0.44 -0.35 1.43 0.12 -4.97 118.68 111.88 2dmp s LEU 52 Ca 0.18 -1.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.00 2dmp s LEU 52 Cb -0.08 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.67 2dmp s LEU 52 CO 0.59 -0.55 0.61 -0.44 0.23 0.00 0.00 176.35 176.79 2dmp s SER 53 N -3.51 5.60 0.27 2.29 0.01 -1.26 -4.27 113.70 112.83 2dmp s SER 53 Ca 0.35 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.29 2dmp s SER 53 Cb 0.08 -0.72 0.60 0.00 0.21 0.00 0.00 66.02 66.19 2dmp s SER 53 CO 0.15 -0.82 1.76 0.03 0.41 0.00 0.00 173.24 174.77 2dmp h ARG 54 N 0.54 0.61 0.54 12.44 2.47 -1.98 -2.34 114.38 126.66 2dmp h ARG 54 Ca -0.41 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.25 2dmp h ARG 54 Cb 1.28 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 29.47 2dmp h ARG 54 CO 0.47 0.41 -0.26 -0.09 0.56 0.00 0.00 179.97 181.05 2dmp h ARG 55 N 0.63 -0.70 -0.92 0.04 2.43 -1.98 0.73 114.38 114.62 2dmp h ARG 55 Ca 0.50 0.05 0.22 0.00 -0.81 0.00 0.00 59.98 59.93 2dmp h ARG 55 Cb 0.75 0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.29 2dmp h ARG 55 CO -0.38 -0.39 -0.11 0.39 -1.51 0.00 0.00 179.97 177.97 2dmp n GLU 56 N -5.31 -0.08 -0.03 0.20 4.71 -0.91 -0.29 120.64 118.93 2dmp n GLU 56 Ca -0.11 1.40 -0.14 0.00 -0.01 0.00 0.00 57.16 58.30 2dmp n GLU 56 Cb 0.33 -2.16 -0.11 0.00 -1.01 0.00 0.00 31.44 28.49 2dmp n GLU 56 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2dmp h ILE 57 N 0.00 1.55 -0.90 -3.67 2.04 -1.44 -3.18 117.51 111.91 2dmp h ILE 57 Ca 0.50 -1.80 0.24 0.00 1.00 0.00 0.00 64.86 64.79 2dmp h ILE 57 Cb 0.90 2.70 -0.16 0.00 -0.74 0.00 0.00 36.82 39.52 2dmp h ILE 57 CO -0.90 0.48 0.07 0.44 0.00 0.00 0.00 178.15 178.24 2dmp h ASP 58 N -0.58 -0.33 -0.32 1.72 5.19 0.18 0.34 116.42 122.63 2dmp h ASP 58 Ca -0.01 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 2dmp h ASP 58 Cb 0.86 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2dmp h ASP 58 CO 0.03 -0.26 0.16 -1.28 -3.12 0.00 0.00 179.24 174.76 2dmp h SER 59 N 0.08 0.41 0.49 6.45 0.87 -1.09 0.16 113.55 120.92 2dmp h SER 59 Ca 0.54 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 2dmp h SER 59 Cb 1.07 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2dmp h SER 59 CO -0.79 0.41 -0.33 -0.25 -0.53 0.00 0.00 176.83 175.34 2dmp h TRP 60 N 0.38 -0.88 0.34 2.24 7.01 -0.41 -2.10 115.95 122.53 2dmp h TRP 60 Ca 0.11 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2dmp h TRP 60 Cb 0.10 0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 2dmp h TRP 60 CO -0.02 -0.50 -0.19 0.74 -2.79 0.00 0.00 178.44 175.68 2dmp h PHE 61 N -0.80 -0.49 -0.89 2.65 -1.00 -0.96 0.39 116.94 115.84 2dmp h PHE 61 Ca -0.05 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 60.92 2dmp h PHE 61 Cb 0.66 0.17 -0.17 0.00 3.61 0.00 0.00 35.95 40.23 2dmp h PHE 61 CO -0.12 -0.30 -0.12 0.77 -1.61 0.00 0.00 178.31 176.93 2dmp h SER 62 N -0.50 -0.65 0.24 2.17 0.02 -0.63 -0.38 113.55 113.82 2dmp h SER 62 Ca -0.04 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2dmp h SER 62 Cb 0.40 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2dmp h SER 62 CO 0.05 -0.29 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.01 2dmp h GLU 63 N 0.02 -0.31 -0.97 3.45 5.08 -1.13 -3.25 114.58 117.46 2dmp h GLU 63 Ca 0.47 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.98 2dmp h GLU 63 Cb 0.80 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.98 2dmp h GLU 63 CO -0.87 0.05 -0.44 -2.13 -1.00 0.00 0.00 179.01 174.63 2dmp n ARG 64 N -5.02 -0.29 -0.28 2.33 3.00 0.11 0.72 116.66 117.23 2dmp n ARG 64 Ca -0.08 1.49 0.09 0.00 -0.00 0.00 0.00 57.85 59.35 2dmp n ARG 64 Cb 0.26 -2.20 0.23 0.00 0.00 0.00 0.00 32.46 30.75 2dmp n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dmp h ARG 65 N 0.00 0.23 -0.96 -0.14 3.08 -1.20 0.13 114.38 115.52 2dmp h ARG 65 Ca 0.28 -0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.62 2dmp h ARG 65 Cb 0.53 -0.05 -0.16 0.00 0.08 0.00 0.00 29.97 30.37 2dmp h ARG 65 CO -0.95 0.15 0.37 -0.22 -1.07 0.00 0.00 179.97 178.25 2dmp h LYS 66 N 0.24 0.18 -0.51 0.04 3.64 0.26 1.05 116.57 121.47 2dmp h LYS 66 Ca 0.48 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.79 2dmp h LYS 66 Cb 0.90 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2dmp h LYS 66 CO -0.59 0.12 0.08 -0.07 -2.27 0.00 0.00 179.45 176.72 2dmp h LEU 67 N 0.18 0.76 -0.02 5.20 3.38 -0.71 0.06 115.31 124.15 2dmp h LEU 67 Ca 0.67 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.45 2dmp h LEU 67 Cb 1.51 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2dmp h LEU 67 CO -0.70 0.77 -0.12 0.03 0.09 0.00 0.00 178.44 178.51 2dmp h ARG 68 N 0.76 0.12 -0.29 1.13 3.08 0.99 -2.77 114.38 117.40 2dmp h ARG 68 Ca 0.16 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2dmp h ARG 68 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2dmp h ARG 68 CO 0.01 0.78 0.19 -0.44 -1.07 0.00 0.00 179.97 179.43 2dmp h ASP 69 N -0.50 0.32 0.25 7.04 5.19 -0.46 -3.05 116.42 125.21 2dmp h ASP 69 Ca -0.01 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2dmp h ASP 69 Cb 0.80 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 2dmp h ASP 69 CO 0.03 0.23 -0.31 -1.28 -3.12 0.00 0.00 179.24 174.78 2dmp h SER 70 N 0.38 -0.86 -4.24 6.45 0.87 -1.07 -3.43 113.55 111.65 2dmp h SER 70 Ca 0.11 0.08 -0.52 0.00 -1.23 0.00 0.00 61.79 60.24 2dmp h SER 70 Cb -0.03 0.30 0.19 0.00 -0.44 0.00 0.00 62.40 62.42 2dmp h SER 70 CO -0.03 -0.43 0.23 -0.32 -0.53 0.00 0.00 176.83 175.75 2dmp s MET 71 N -6.02 1.16 0.39 2.24 -2.45 -1.04 -4.96 119.30 108.62 2dmp s MET 71 Ca -0.16 1.46 -0.25 0.00 -1.25 0.00 0.00 55.69 55.48 2dmp s MET 71 Cb 0.07 -1.75 -0.09 0.00 1.25 0.00 0.00 34.83 34.31 2dmp s MET 71 CO 0.64 -2.50 1.14 -1.83 1.05 0.00 0.00 175.02 173.52 2dmp s GLU 72 N -4.69 4.11 0.26 4.11 -1.05 -1.26 -4.91 118.70 115.26 2dmp s GLU 72 Ca 0.66 1.78 -0.10 0.00 -0.15 0.00 0.00 54.97 57.15 2dmp s GLU 72 Cb -0.22 -2.68 0.39 0.00 -0.44 0.00 0.00 34.13 31.18 2dmp s GLU 72 CO 0.58 -0.26 1.50 0.94 0.95 0.00 0.00 175.26 178.97 2dmp n GLN 73 N 0.11 -0.12 -2.23 -4.83 7.27 -1.26 -4.34 117.38 111.97 2dmp n GLN 73 Ca 0.04 1.49 -0.40 0.00 0.07 0.00 0.00 57.00 58.21 2dmp n GLN 73 Cb 0.47 -2.23 -0.02 0.00 2.41 0.00 0.00 30.24 30.87 2dmp n GLN 73 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dmp s ALA 74 N -6.13 3.35 -0.01 1.69 0.00 -1.26 -4.99 121.76 114.41 2dmp s ALA 74 Ca -0.14 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 2dmp s ALA 74 Cb 0.24 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2dmp s ALA 74 CO 0.73 -0.53 0.84 0.54 0.00 0.00 0.00 175.76 177.34 2dmp s VAL 75 N -1.24 4.88 -0.29 0.00 0.11 -1.26 -5.04 120.40 117.56 2dmp s VAL 75 Ca 0.51 1.77 -0.13 0.00 -2.93 0.00 0.00 61.98 61.20 2dmp s VAL 75 Cb -0.35 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.28 2dmp s VAL 75 CO 0.46 0.24 0.29 -0.22 -3.33 0.00 0.00 175.10 172.54 2dmp s LEU 76 N 0.66 4.15 0.23 2.54 0.20 -1.26 -5.07 118.68 120.12 2dmp s LEU 76 Ca 0.44 0.02 -0.16 0.00 0.69 0.00 0.00 54.13 55.12 2dmp s LEU 76 Cb -0.20 -2.27 -0.08 0.00 -0.43 0.00 0.00 46.19 43.21 2dmp s LEU 76 CO 0.24 -0.17 0.65 1.51 -0.29 0.00 0.00 176.35 178.29 2dmp s ASP 77 N 1.71 6.86 -0.03 3.68 1.47 -1.26 -5.09 116.67 124.01 2dmp s ASP 77 Ca 0.11 1.22 0.07 0.00 1.18 0.00 0.00 52.55 55.13 2dmp s ASP 77 Cb -0.16 -2.34 -0.02 0.00 -0.34 0.00 0.00 42.92 40.06 2dmp s ASP 77 CO 0.11 -0.02 -0.25 -0.55 0.68 0.00 0.00 175.17 175.13 2dmp s SER 78 N -1.93 3.11 0.20 2.11 0.15 -1.26 -5.09 113.70 110.98 2dmp s SER 78 Ca 0.45 -0.46 -0.32 0.00 0.70 0.00 0.00 55.95 56.31 2dmp s SER 78 Cb -0.14 -0.46 -0.14 0.00 -1.71 0.00 0.00 66.02 63.57 2dmp s SER 78 CO 0.20 0.31 1.35 1.15 1.20 0.00 0.00 173.24 177.45 2dmp n MET 79 N 2.53 1.73 0.00 5.44 0.00 -1.26 -4.89 117.12 120.67 2dmp n MET 79 Ca -0.16 0.62 0.00 0.00 0.00 0.00 0.00 57.70 58.16 2dmp n MET 79 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 33.22 31.49 2dmp n MET 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dmp n GLY 80 N 2.30 -1.33 3.43 3.17 0.00 -1.26 -5.17 105.19 106.33 2dmp n GLY 80 Ca 0.14 0.77 -0.31 0.00 0.00 0.00 0.00 46.02 46.61 2dmp n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmp s SER 81 N 0.00 3.69 0.00 1.61 0.15 -1.26 -5.08 113.70 112.81 2dmp s SER 81 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2dmp s SER 81 Cb 0.00 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2dmp s SER 81 CO 0.00 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2dmp n GLY 82 N 1.97 3.63 3.09 9.45 0.00 -1.26 -5.15 105.19 116.93 2dmp n GLY 82 Ca -0.16 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2dmp n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmp s LYS 83 N -2.15 2.42 0.38 1.61 2.47 -1.26 -5.13 119.74 118.08 2dmp s LYS 83 Ca 0.00 -0.64 -0.07 0.00 -1.56 0.00 0.00 55.97 53.71 2dmp s LYS 83 Cb 0.00 -2.01 -0.05 0.00 -1.46 0.00 0.00 37.83 34.31 2dmp s LYS 83 CO 0.00 -0.04 0.69 -1.54 0.16 0.00 0.00 175.35 174.62 2dmp s SER 84 N 0.91 6.43 -0.29 1.43 1.04 -1.26 -5.09 113.70 116.86 2dmp s SER 84 Ca -0.08 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.11 2dmp s SER 84 Cb -0.15 -2.23 0.16 0.00 0.10 0.00 0.00 66.02 63.90 2dmp s SER 84 CO -0.01 -0.36 1.02 -0.83 0.98 0.00 0.00 173.24 174.04 2dmp s GLY 85 N -3.40 0.01 -0.25 7.32 0.00 -1.26 -5.13 107.32 104.61 2dmp s GLY 85 Ca 0.47 3.21 -0.29 0.00 0.00 0.00 0.00 44.72 48.11 2dmp s GLY 85 CO 0.34 2.87 1.63 2.56 0.00 0.00 0.00 173.10 180.50 2dmp s PRO 86 N 1.73 3.70 -0.13 2.90 0.04 -1.26 -5.00 135.00 136.98 2dmp s PRO 86 Ca -0.06 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2dmp s PRO 86 Cb -0.04 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2dmp s PRO 86 CO -0.15 -1.41 -0.05 -1.54 0.04 0.00 0.00 177.00 173.89 2dmp s SER 87 N 4.53 4.73 -0.09 6.66 1.04 -1.26 -5.02 113.70 124.28 2dmp s SER 87 Ca 0.72 -0.10 -0.26 0.00 0.48 0.00 0.00 55.95 56.79 2dmp s SER 87 Cb -0.24 -1.59 -0.22 0.00 0.10 0.00 0.00 66.02 64.07 2dmp s SER 87 CO 0.30 0.24 0.90 -1.28 0.98 0.00 0.00 173.24 174.38 2dmp h SER 88 N 6.20 -0.02 0.00 7.02 0.87 -2.10 -3.58 113.55 121.95 2dmp h SER 88 Ca -0.37 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.45 2dmp h SER 88 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dmp h SER 88 CO 0.59 0.76 0.00 0.61 -0.53 0.00 0.00 176.83 178.26