#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 7.33 -0.13 1.61 0.15 -1.26 -5.04 113.70 116.36 2dmp s SER 2 Ca 0.00 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.51 2dmp s SER 2 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2dmp s SER 2 CO 0.00 -0.24 -0.14 -0.44 1.20 0.00 0.00 173.24 173.62 2dmp s SER 3 N 0.50 3.94 -0.28 5.45 0.01 -1.26 -5.10 113.70 116.95 2dmp s SER 3 Ca 0.51 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 57.25 2dmp s SER 3 Cb -0.25 -1.60 0.10 0.00 0.21 0.00 0.00 66.02 64.49 2dmp s SER 3 CO 0.30 0.16 0.82 -0.83 0.41 0.00 0.00 173.24 174.11 2dmp s GLY 4 N 0.36 -0.37 0.17 3.44 0.00 -1.26 -5.17 107.32 104.50 2dmp s GLY 4 Ca -0.11 2.65 0.09 0.00 0.00 0.00 0.00 44.72 47.34 2dmp s GLY 4 CO 0.06 2.34 -0.10 -0.56 0.00 0.00 0.00 173.10 174.84 2dmp s SER 5 N 1.27 4.23 -0.07 1.64 0.01 -1.26 -5.13 113.70 114.39 2dmp s SER 5 Ca -0.07 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.63 2dmp s SER 5 Cb -0.05 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 2dmp s SER 5 CO -0.15 0.11 -0.11 -0.94 0.41 0.00 0.00 173.24 172.56 2dmp s SER 6 N -2.77 4.31 0.00 2.44 1.04 -1.26 -5.06 113.70 112.39 2dmp s SER 6 Ca 0.24 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2dmp s SER 6 Cb -0.09 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.92 2dmp s SER 6 CO 0.15 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2dmp n GLY 7 N 2.48 -1.09 3.68 7.32 0.00 -1.26 -5.18 105.19 111.14 2dmp n GLY 7 Ca -0.18 0.90 -0.24 0.00 0.00 0.00 0.00 46.02 46.50 2dmp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmp s ALA 8 N 0.00 3.36 -0.09 4.61 0.00 -1.26 -5.13 121.76 123.24 2dmp s ALA 8 Ca 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 51.96 49.88 2dmp s ALA 8 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2dmp s ALA 8 CO 0.00 -0.01 0.20 0.71 0.00 0.00 0.00 175.76 176.66 2dmp s TYR 9 N -2.53 3.63 0.28 0.00 2.02 -1.26 -5.07 117.35 114.42 2dmp s TYR 9 Ca 0.37 0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 57.41 2dmp s TYR 9 Cb 0.01 -2.02 -0.10 0.00 -0.40 0.00 0.00 41.96 39.45 2dmp s TYR 9 CO 0.21 0.72 1.24 -1.25 -1.57 0.00 0.00 175.55 174.90 2dmp s PRO 10 N -1.04 4.45 -0.25 -1.71 0.04 -1.26 -5.02 135.00 130.22 2dmp s PRO 10 Ca 0.17 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 2dmp s PRO 10 Cb -0.13 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2dmp s PRO 10 CO 0.06 -0.08 0.13 -0.51 0.04 0.00 0.00 177.00 176.64 2dmp s ASP 11 N -0.41 5.75 -0.22 6.66 1.01 -1.26 -5.06 116.67 123.14 2dmp s ASP 11 Ca 0.49 -0.01 -0.29 0.00 0.71 0.00 0.00 52.55 53.45 2dmp s ASP 11 Cb -0.37 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.53 2dmp s ASP 11 CO 0.46 0.02 1.16 -0.36 0.21 0.00 0.00 175.17 176.67 2dmp s PHE 12 N 1.30 3.04 0.03 4.23 0.08 -1.26 -5.01 117.98 120.40 2dmp s PHE 12 Ca 0.06 1.18 -0.12 0.00 0.12 0.00 0.00 56.93 58.17 2dmp s PHE 12 Cb -0.15 -3.50 0.01 0.00 -0.57 0.00 0.00 43.02 38.82 2dmp s PHE 12 CO 0.06 -1.15 0.25 0.00 -0.10 0.00 0.00 175.22 174.28 2dmp s ALA 13 N 3.52 -0.55 1.11 5.36 0.00 -1.26 -5.17 121.76 124.77 2dmp s ALA 13 Ca 0.50 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 2dmp s ALA 13 Cb -0.17 0.27 0.13 0.00 0.00 0.00 0.00 23.12 23.34 2dmp s ALA 13 CO 0.13 -0.36 0.48 -0.35 0.00 0.00 0.00 175.76 175.65 2dmp n PRO 14 N 0.75 -1.95 -4.36 0.00 -0.04 -1.26 -5.05 135.00 123.09 2dmp n PRO 14 Ca -0.19 -0.76 -0.33 0.00 -0.04 0.00 0.00 63.50 62.18 2dmp n PRO 14 Cb 0.59 -0.71 -0.16 0.00 -0.04 0.00 0.00 33.50 33.17 2dmp n PRO 14 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2dmp s GLN 15 N -4.08 3.04 0.00 0.54 -2.07 -1.26 -5.11 119.66 110.72 2dmp s GLN 15 Ca 0.31 -0.82 -0.14 0.00 -1.82 0.00 0.00 55.36 52.89 2dmp s GLN 15 Cb -0.03 -2.54 0.02 0.00 -1.09 0.00 0.00 33.01 29.37 2dmp s GLN 15 CO 0.24 -0.12 0.30 0.15 -1.32 0.00 0.00 175.29 174.54 2dmp s LYS 16 N 1.08 0.70 0.31 9.60 -0.14 -1.26 -5.16 119.74 124.86 2dmp s LYS 16 Ca -0.00 -0.30 -0.24 0.00 -1.36 0.00 0.00 55.97 54.07 2dmp s LYS 16 Cb -0.14 0.30 -0.10 0.00 -1.68 0.00 0.00 37.83 36.22 2dmp s LYS 16 CO -0.07 -0.20 0.88 0.12 -0.76 0.00 0.00 175.35 175.32 2dmp s PHE 17 N -1.68 3.64 -0.26 3.18 5.36 -1.26 -5.06 117.98 121.91 2dmp s PHE 17 Ca -0.11 1.65 -0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2dmp s PHE 17 Cb -0.04 -2.83 0.11 0.00 -0.34 0.00 0.00 43.02 39.92 2dmp s PHE 17 CO 0.02 0.21 0.22 0.15 -1.46 0.00 0.00 175.22 174.36 2dmp s LYS 18 N -2.16 0.23 0.85 10.12 3.01 -1.26 -5.14 119.74 125.39 2dmp s LYS 18 Ca 0.49 -0.12 -0.12 0.00 -1.01 0.00 0.00 55.97 55.21 2dmp s LYS 18 Cb -0.17 -1.02 0.10 0.00 -1.01 0.00 0.00 37.83 35.73 2dmp s LYS 18 CO 0.22 -0.89 1.15 -1.91 0.51 0.00 0.00 175.35 174.43 2dmp n GLU 19 N 5.30 -0.04 -2.17 1.68 2.13 -1.26 -5.00 120.64 121.27 2dmp n GLU 19 Ca -0.04 0.07 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 2dmp n GLU 19 Cb 0.46 -2.39 0.01 0.00 0.27 0.00 0.00 31.44 29.79 2dmp n GLU 19 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2dmp s LYS 20 N -4.25 3.49 0.39 5.31 1.02 -1.26 -5.09 119.74 119.35 2dmp s LYS 20 Ca 0.71 0.49 0.08 0.00 0.02 0.00 0.00 55.97 57.26 2dmp s LYS 20 Cb -0.27 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2dmp s LYS 20 CO 0.54 -0.48 0.28 0.95 -0.92 0.00 0.00 175.35 175.71 2dmp s THR 21 N -3.03 2.78 0.14 2.17 -4.23 -1.26 -4.99 115.64 107.23 2dmp s THR 21 Ca 0.52 -1.49 -0.20 0.00 -1.18 0.00 0.00 61.69 59.34 2dmp s THR 21 Cb -0.11 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.73 2dmp s THR 21 CO 0.50 -0.06 1.67 1.56 -0.54 0.00 0.00 174.62 177.75 2dmp h GLN 22 N 1.25 -0.11 -0.05 3.99 7.50 -1.99 -1.81 115.11 123.89 2dmp h GLN 22 Ca -0.43 0.01 0.03 0.00 0.50 0.00 0.00 58.65 58.76 2dmp h GLN 22 Cb 1.26 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.75 2dmp h GLN 22 CO 0.61 -0.07 -0.43 0.78 -1.50 0.00 0.00 178.83 178.22 2dmp h GLY 23 N -0.11 -0.80 0.12 3.46 0.00 -1.99 0.14 103.07 103.90 2dmp h GLY 23 Ca 0.13 0.53 0.01 0.00 0.00 0.00 0.00 47.33 48.00 2dmp h GLY 23 CO -0.30 -0.24 -0.49 1.46 0.00 0.00 0.00 176.54 176.97 2dmp h GLN 24 N -0.56 -0.68 -0.78 4.80 4.20 -1.85 -1.71 115.11 118.53 2dmp h GLN 24 Ca 0.05 0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.98 2dmp h GLN 24 Cb 0.65 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.48 2dmp h GLN 24 CO -0.35 -0.45 0.25 0.28 -0.67 0.00 0.00 178.83 177.89 2dmp h VAL 25 N -0.70 0.53 -0.81 -0.54 2.07 -1.12 0.81 116.25 116.48 2dmp h VAL 25 Ca -0.01 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2dmp h VAL 25 Cb 0.70 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2dmp h VAL 25 CO -0.26 0.06 0.44 0.50 0.02 0.00 0.00 177.57 178.33 2dmp h LYS 26 N 0.33 0.68 -0.80 1.57 3.64 0.07 0.27 116.57 122.32 2dmp h LYS 26 Ca 0.45 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2dmp h LYS 26 Cb 0.79 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2dmp h LYS 26 CO -0.50 0.45 0.40 0.82 -2.27 0.00 0.00 179.45 178.35 2dmp h ILE 27 N 0.70 1.25 0.38 2.00 2.04 -0.00 -2.09 117.51 121.79 2dmp h ILE 27 Ca 0.41 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2dmp h ILE 27 Cb 0.46 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2dmp h ILE 27 CO -0.29 0.29 -0.18 -0.07 0.00 0.00 0.00 178.15 177.90 2dmp h LEU 28 N 1.13 -0.43 -0.83 1.44 3.38 -0.74 -3.19 115.31 116.08 2dmp h LEU 28 Ca 0.28 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.35 2dmp h LEU 28 Cb 0.09 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.80 2dmp h LEU 28 CO -0.04 0.01 -0.21 -0.33 0.09 0.00 0.00 178.44 177.96 2dmp h GLU 29 N -1.08 -0.00 -0.80 1.13 5.08 -0.55 0.51 114.58 118.87 2dmp h GLU 29 Ca -0.05 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 2dmp h GLU 29 Cb 0.47 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.62 2dmp h GLU 29 CO 0.09 -0.00 0.31 0.22 -1.00 0.00 0.00 179.01 178.63 2dmp h ASP 30 N -0.00 0.26 0.17 1.42 1.82 -1.45 0.46 116.42 119.09 2dmp h ASP 30 Ca 0.39 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 57.15 2dmp h ASP 30 Cb 0.60 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2dmp h ASP 30 CO -0.85 0.05 -0.08 0.28 -1.61 0.00 0.00 179.24 177.03 2dmp h SER 31 N 0.41 -0.19 0.16 2.28 0.02 -0.15 -3.26 113.55 112.82 2dmp h SER 31 Ca 0.46 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2dmp h SER 31 Cb 0.78 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 2dmp h SER 31 CO -0.46 0.36 -0.36 0.15 -1.14 0.00 0.00 176.83 175.38 2dmp h PHE 32 N -0.96 -1.04 -0.81 3.45 3.57 -0.16 0.19 116.94 121.18 2dmp h PHE 32 Ca -0.02 0.02 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2dmp h PHE 32 Cb 0.45 0.43 -0.15 0.00 2.79 0.00 0.00 35.95 39.48 2dmp h PHE 32 CO 0.07 -0.43 0.40 1.28 -2.23 0.00 0.00 178.31 177.40 2dmp n LEU 33 N -4.53 0.25 0.02 0.59 4.77 0.16 -0.39 117.00 117.87 2dmp n LEU 33 Ca -0.07 1.35 -0.04 0.00 -0.03 0.00 0.00 56.01 57.22 2dmp n LEU 33 Cb 0.30 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 2dmp n LEU 33 CO 0.13 -1.50 0.12 0.11 -1.33 0.00 0.00 177.39 174.92 2dmp h LYS 34 N 0.00 -0.15 -3.65 3.23 1.57 -1.34 -3.45 116.57 112.78 2dmp h LYS 34 Ca 0.67 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.98 2dmp h LYS 34 Cb 1.76 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.71 2dmp h LYS 34 CO -0.64 0.01 -0.77 -1.54 -0.57 0.00 0.00 179.45 175.94 2dmp s SER 35 N -5.44 2.29 0.23 0.86 1.04 0.58 -5.02 113.70 108.25 2dmp s SER 35 Ca -0.04 -0.47 -0.06 0.00 0.48 0.00 0.00 55.95 55.85 2dmp s SER 35 Cb 0.00 -0.54 0.36 0.00 0.10 0.00 0.00 66.02 65.94 2dmp s SER 35 CO 0.15 -0.25 1.78 0.77 0.98 0.00 0.00 173.24 176.68 2dmp h SER 36 N 8.28 0.50 -3.13 7.02 4.64 -1.77 -3.35 113.55 125.73 2dmp h SER 36 Ca -0.18 0.06 -0.74 0.00 -0.47 0.00 0.00 61.79 60.46 2dmp h SER 36 Cb 1.12 -0.03 -0.22 0.00 -0.31 0.00 0.00 62.40 62.96 2dmp h SER 36 CO 0.31 0.28 -0.18 -0.36 -0.87 0.00 0.00 176.83 176.02 2dmp s PHE 37 N -6.05 3.19 1.17 4.77 0.08 -1.26 -4.88 117.98 115.00 2dmp s PHE 37 Ca -0.13 -1.07 -0.18 0.00 0.12 0.00 0.00 56.93 55.68 2dmp s PHE 37 Cb 0.18 -3.63 0.27 0.00 -0.57 0.00 0.00 43.02 39.28 2dmp s PHE 37 CO 0.77 -1.00 1.11 -1.25 -0.10 0.00 0.00 175.22 174.74 2dmp s PRO 38 N 1.87 -0.97 0.29 0.24 0.04 -1.26 -5.08 135.00 130.14 2dmp s PRO 38 Ca 0.06 0.03 0.11 0.00 0.04 0.00 0.00 61.00 61.24 2dmp s PRO 38 Cb -0.27 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2dmp s PRO 38 CO 0.05 -3.56 -0.17 -0.08 0.04 0.00 0.00 177.00 173.28 2dmp s THR 39 N -3.00 2.47 0.33 1.26 -1.32 -1.26 -4.93 115.64 109.20 2dmp s THR 39 Ca 0.70 -2.35 0.12 0.00 -1.21 0.00 0.00 61.69 58.95 2dmp s THR 39 Cb -0.11 -2.39 0.32 0.00 -1.51 0.00 0.00 72.50 68.81 2dmp s THR 39 CO 0.56 -0.36 1.68 1.56 -2.21 0.00 0.00 174.62 175.85 2dmp h GLN 40 N 2.21 0.39 -0.09 7.08 1.08 -1.99 0.22 115.11 124.00 2dmp h GLN 40 Ca -0.41 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 56.75 2dmp h GLN 40 Cb 1.26 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2dmp h GLN 40 CO 0.62 0.26 -0.01 0.00 -0.95 0.00 0.00 178.83 178.74 2dmp h ALA 41 N 1.81 0.13 0.48 3.87 0.00 -2.00 -2.56 119.26 120.99 2dmp h ALA 41 Ca 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2dmp h ALA 41 Cb 1.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2dmp h ALA 41 CO -0.57 -0.16 -0.23 1.49 0.00 0.00 0.00 179.25 179.78 2dmp h GLU 42 N -0.14 -0.62 -0.96 0.00 4.57 -1.17 -3.14 114.58 113.14 2dmp h GLU 42 Ca 0.02 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.37 2dmp h GLU 42 Cb 0.39 0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 28.98 2dmp h GLU 42 CO 0.01 -0.41 -0.47 -0.07 -1.18 0.00 0.00 179.01 176.89 2dmp h LEU 43 N -0.72 -1.71 -0.99 1.64 3.38 -0.84 0.70 115.31 116.77 2dmp h LEU 43 Ca -0.07 0.31 0.36 0.00 0.09 0.00 0.00 57.88 58.57 2dmp h LEU 43 Cb 0.49 0.82 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 2dmp h LEU 43 CO 0.11 -0.27 0.39 -0.78 0.09 0.00 0.00 178.44 177.97 2dmp h ASP 44 N -0.02 0.11 0.08 -0.43 1.82 -1.49 0.68 116.42 117.18 2dmp h ASP 44 Ca 0.26 0.25 -0.28 0.00 -0.39 0.00 0.00 57.03 56.88 2dmp h ASP 44 Cb 0.53 0.31 0.03 0.00 0.68 0.00 0.00 39.33 40.87 2dmp h ASP 44 CO -0.94 -0.36 -1.13 -0.09 -1.61 0.00 0.00 179.24 175.10 2dmp h ARG 45 N 0.06 0.62 0.01 0.28 9.65 0.36 -3.12 114.38 122.24 2dmp h ARG 45 Ca 0.75 -0.78 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2dmp h ARG 45 Cb 1.83 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 30.64 2dmp h ARG 45 CO -0.78 1.35 -0.09 -0.07 2.80 0.00 0.00 179.97 183.17 2dmp h LEU 46 N 0.26 -0.26 0.21 3.80 3.38 0.22 0.35 115.31 123.28 2dmp h LEU 46 Ca -0.17 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2dmp h LEU 46 Cb 1.81 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 2dmp h LEU 46 CO 0.22 -0.13 -0.19 0.03 0.09 0.00 0.00 178.44 178.45 2dmp h ARG 47 N -0.16 -0.38 -0.39 1.13 3.08 -0.77 0.29 114.38 117.18 2dmp h ARG 47 Ca 0.03 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.19 2dmp h ARG 47 Cb 0.20 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 2dmp h ARG 47 CO -0.09 -0.25 -0.12 -0.24 -1.07 0.00 0.00 179.97 178.20 2dmp h VAL 48 N -0.40 0.57 0.25 2.04 3.04 -1.54 1.89 116.25 122.10 2dmp h VAL 48 Ca -0.03 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2dmp h VAL 48 Cb 0.34 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 2dmp h VAL 48 CO -0.02 0.00 -0.31 -0.33 -1.01 0.00 0.00 177.57 175.91 2dmp h GLU 49 N -0.03 -0.55 0.00 4.17 4.39 -0.18 -1.52 114.58 120.86 2dmp h GLU 49 Ca 0.19 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2dmp h GLU 49 Cb 0.32 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2dmp h GLU 49 CO -0.42 -0.36 0.00 0.25 -1.16 0.00 0.00 179.01 177.32 2dmp n THR 50 N -4.21 0.43 -3.45 1.13 -2.24 0.10 -4.88 114.28 101.16 2dmp n THR 50 Ca -0.07 0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 2dmp n THR 50 Cb 0.27 -0.81 0.08 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.27 -6.93 -4.39 -0.78 4.76 0.60 -4.91 118.16 105.25 2dmp n LYS 51 Ca 0.09 0.81 -0.19 0.00 -2.87 0.00 0.00 58.31 56.15 2dmp n LYS 51 Cb 0.14 -5.76 -0.10 0.00 -1.84 0.00 0.00 35.03 27.46 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 -6.56 2.00 0.36 -0.35 1.43 0.11 -4.97 118.68 110.70 2dmp s LEU 52 Ca 0.22 -1.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.03 2dmp s LEU 52 Cb -0.10 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 2dmp s LEU 52 CO 0.71 -0.64 0.46 -0.94 0.23 0.00 0.00 176.35 176.17 2dmp s SER 53 N -3.41 5.73 0.23 2.29 1.04 -1.26 -4.28 113.70 114.04 2dmp s SER 53 Ca 0.36 -0.33 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 2dmp s SER 53 Cb 0.08 -1.00 0.30 0.00 0.10 0.00 0.00 66.02 65.50 2dmp s SER 53 CO 0.14 -0.52 1.60 0.03 0.98 0.00 0.00 173.24 175.47 2dmp h ARG 54 N 0.89 -0.02 0.43 4.02 2.47 -1.98 -1.67 114.38 118.51 2dmp h ARG 54 Ca -0.44 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 2dmp h ARG 54 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.57 2dmp h ARG 54 CO 0.52 -0.01 -0.43 0.00 0.56 0.00 0.00 179.97 180.60 2dmp h ARG 55 N -0.02 -0.83 -0.45 0.04 3.08 -1.97 0.12 114.38 114.35 2dmp h ARG 55 Ca 0.36 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.50 2dmp h ARG 55 Cb 0.57 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 2dmp h ARG 55 CO -0.80 -0.55 -0.26 0.39 -1.07 0.00 0.00 179.97 177.68 2dmp n GLU 56 N -5.04 -0.20 0.41 0.04 -0.58 -0.66 -0.77 120.64 113.85 2dmp n GLU 56 Ca -0.10 0.97 -0.19 0.00 -0.42 0.00 0.00 57.16 57.42 2dmp n GLU 56 Cb 0.39 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 29.74 2dmp n GLU 56 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2dmp h ILE 57 N 0.00 0.20 -1.15 -3.67 2.04 -1.39 -2.47 117.51 111.06 2dmp h ILE 57 Ca 0.07 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.34 2dmp h ILE 57 Cb 0.18 0.20 -0.13 0.00 -0.74 0.00 0.00 36.82 36.33 2dmp h ILE 57 CO -0.42 0.00 0.72 -0.67 0.00 0.00 0.00 178.15 177.79 2dmp n ASP 58 N -5.55 0.20 -0.05 1.72 2.03 0.42 0.21 116.55 115.53 2dmp n ASP 58 Ca -0.14 1.24 -0.15 0.00 0.52 0.00 0.00 54.79 56.26 2dmp n ASP 58 Cb 0.43 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 40.15 2dmp n ASP 58 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2dmp h SER 59 N 0.00 0.58 -0.13 1.67 0.87 -0.49 -1.14 113.55 114.90 2dmp h SER 59 Ca 0.76 -0.58 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 2dmp h SER 59 Cb 2.39 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 64.17 2dmp h SER 59 CO -0.45 1.06 -0.27 -0.25 -0.53 0.00 0.00 176.83 176.40 2dmp h TRP 60 N 0.13 0.67 -0.04 2.24 7.01 0.26 -2.08 115.95 124.16 2dmp h TRP 60 Ca -0.01 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.82 2dmp h TRP 60 Cb 0.99 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 2dmp h TRP 60 CO 0.10 0.80 -0.06 0.74 -2.79 0.00 0.00 178.44 177.23 2dmp h PHE 61 N 0.52 0.13 0.15 2.65 -1.00 -0.55 -2.25 116.94 116.58 2dmp h PHE 61 Ca 0.07 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.81 2dmp h PHE 61 Cb 0.73 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 2dmp h PHE 61 CO 0.03 0.64 -0.20 1.03 -1.61 0.00 0.00 178.31 178.20 2dmp h SER 62 N -0.41 -0.54 -0.46 2.17 0.87 -1.19 -1.01 113.55 112.98 2dmp h SER 62 Ca 0.00 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2dmp h SER 62 Cb 0.63 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2dmp h SER 62 CO 0.01 -0.28 0.31 1.05 -0.53 0.00 0.00 176.83 177.39 2dmp h GLU 63 N -0.40 0.45 -0.04 2.24 -0.00 -1.46 -0.69 114.58 114.68 2dmp h GLU 63 Ca 0.01 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 59.25 2dmp h GLU 63 Cb 0.40 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.03 2dmp h GLU 63 CO -0.08 0.30 -0.44 -0.09 -0.00 0.00 0.00 179.01 178.69 2dmp h ARG 64 N 0.46 0.08 -0.10 1.06 9.65 -0.73 0.25 114.38 125.06 2dmp h ARG 64 Ca 0.19 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.93 2dmp h ARG 64 Cb 0.18 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 2dmp h ARG 64 CO -0.05 0.51 -0.41 0.00 2.80 0.00 0.00 179.97 182.82 2dmp h ARG 65 N 0.07 0.23 0.00 0.20 3.08 0.16 0.13 114.38 118.25 2dmp h ARG 65 Ca 0.00 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 2dmp h ARG 65 Cb 0.81 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2dmp h ARG 65 CO 0.06 0.60 -1.62 0.36 -1.07 0.00 0.00 179.97 178.30 2dmp n LYS 66 N -4.03 0.64 -0.02 0.04 2.85 -1.07 -3.88 118.16 112.69 2dmp n LYS 66 Ca -0.01 0.14 -0.01 0.00 -1.05 0.00 0.00 58.31 57.38 2dmp n LYS 66 Cb 0.48 -1.73 -0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2dmp n LYS 66 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2dmp h LEU 67 N 0.00 0.00 -0.96 -5.58 5.85 -0.41 -2.80 115.31 111.42 2dmp h LEU 67 Ca -0.20 0.00 0.30 0.00 0.84 0.00 0.00 57.88 58.82 2dmp h LEU 67 Cb 1.61 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.47 2dmp h LEU 67 CO 0.04 0.18 0.29 -0.09 -0.34 0.00 0.00 178.44 178.52 2dmp h ARG 68 N -0.29 0.11 -0.32 1.25 2.43 -0.94 0.57 114.38 117.20 2dmp h ARG 68 Ca 0.00 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2dmp h ARG 68 Cb 0.07 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2dmp h ARG 68 CO 0.00 0.07 -0.34 0.22 -1.51 0.00 0.00 179.97 178.42 2dmp h ASP 69 N 0.12 0.85 -4.38 -3.80 1.82 -1.68 -3.44 116.42 105.91 2dmp h ASP 69 Ca 0.66 -0.47 -0.50 0.00 -0.39 0.00 0.00 57.03 56.33 2dmp h ASP 69 Cb 1.49 -0.24 0.09 0.00 0.68 0.00 0.00 39.33 41.34 2dmp h ASP 69 CO -0.76 1.15 0.39 -0.55 -1.61 0.00 0.00 179.24 177.86 2dmp s SER 70 N -6.67 5.35 -1.39 2.28 0.15 0.20 -4.00 113.70 109.63 2dmp s SER 70 Ca -0.12 1.33 -0.10 0.00 0.70 0.00 0.00 55.95 57.77 2dmp s SER 70 Cb 0.10 -2.18 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 2dmp s SER 70 CO 0.85 -1.43 1.15 0.23 1.20 0.00 0.00 173.24 175.25 2dmp n MET 71 N -3.09 -7.64 -3.59 5.44 2.81 -1.26 -4.84 117.12 104.95 2dmp n MET 71 Ca 0.07 0.80 -0.37 0.00 -1.81 0.00 0.00 57.70 56.39 2dmp n MET 71 Cb 0.56 -5.84 -0.06 0.00 -0.71 0.00 0.00 33.22 27.17 2dmp n MET 71 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2dmp s GLU 72 N -6.35 3.79 0.26 0.03 0.41 -1.26 -4.99 118.70 110.60 2dmp s GLU 72 Ca 0.60 0.25 -0.10 0.00 -0.41 0.00 0.00 54.97 55.31 2dmp s GLU 72 Cb -0.27 -3.16 0.39 0.00 -1.78 0.00 0.00 34.13 29.32 2dmp s GLU 72 CO 0.74 0.67 1.57 1.96 -0.49 0.00 0.00 175.26 179.71 2dmp h GLN 73 N 4.47 -0.00 -5.36 1.61 1.08 -1.94 -3.36 115.11 111.60 2dmp h GLN 73 Ca -0.51 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.05 2dmp h GLN 73 Cb 1.21 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.44 2dmp h GLN 73 CO 0.62 -0.00 -0.66 0.00 -0.95 0.00 0.00 178.83 177.84 2dmp s ALA 74 N -6.23 3.04 -0.26 3.87 0.00 -1.26 -5.08 121.76 115.85 2dmp s ALA 74 Ca -0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 2dmp s ALA 74 Cb 0.25 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.81 2dmp s ALA 74 CO 0.76 0.24 1.05 0.08 0.00 0.00 0.00 175.76 177.90 2dmp s VAL 75 N 0.26 4.62 0.66 0.00 1.01 -1.26 -5.02 120.40 120.67 2dmp s VAL 75 Ca -0.02 1.92 -0.14 0.00 0.00 0.00 0.00 61.98 63.74 2dmp s VAL 75 Cb -0.14 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2dmp s VAL 75 CO 0.03 -0.28 1.08 -0.76 0.00 0.00 0.00 175.10 175.17 2dmp s LEU 76 N 3.35 3.32 0.74 3.92 1.43 -1.26 -5.03 118.68 125.15 2dmp s LEU 76 Ca 0.44 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 2dmp s LEU 76 Cb -0.14 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.58 2dmp s LEU 76 CO 0.09 -1.54 1.08 -0.62 0.23 0.00 0.00 176.35 175.60 2dmp s ASP 77 N -2.95 5.08 0.56 2.29 -1.08 -1.26 -5.08 116.67 114.23 2dmp s ASP 77 Ca 0.64 1.33 0.09 0.00 -0.52 0.00 0.00 52.55 54.08 2dmp s ASP 77 Cb -0.18 -2.13 0.08 0.00 -1.46 0.00 0.00 42.92 39.23 2dmp s ASP 77 CO 0.45 -1.60 0.77 -0.94 0.52 0.00 0.00 175.17 174.37 2dmp s SER 78 N -4.04 5.15 1.02 -0.34 1.04 -1.26 -5.10 113.70 110.17 2dmp s SER 78 Ca 0.59 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 2dmp s SER 78 Cb -0.13 0.12 0.20 0.00 0.10 0.00 0.00 66.02 66.31 2dmp s SER 78 CO 0.54 -1.28 1.08 -0.32 0.98 0.00 0.00 173.24 174.23 2dmp s MET 79 N -4.65 0.24 0.00 4.02 1.75 -1.26 -4.97 119.30 114.44 2dmp s MET 79 Ca 0.61 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.73 2dmp s MET 79 Cb -0.06 -1.70 0.00 0.00 2.84 0.00 0.00 34.83 35.90 2dmp s MET 79 CO 0.38 -2.90 0.00 0.41 -0.65 0.00 0.00 175.02 172.26 2dmp n GLY 80 N -0.58 -0.78 3.63 2.11 0.00 -1.26 -5.18 105.19 103.13 2dmp n GLY 80 Ca 0.05 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 4.06 0.40 1.61 0.15 -1.26 -5.10 113.70 113.56 2dmp s SER 81 Ca 0.00 -1.13 -0.25 0.00 0.70 0.00 0.00 55.95 55.27 2dmp s SER 81 Cb 0.00 -0.45 -0.11 0.00 -1.71 0.00 0.00 66.02 63.75 2dmp s SER 81 CO 0.00 -0.33 1.03 0.61 1.20 0.00 0.00 173.24 175.75 2dmp n GLY 82 N -0.97 -0.16 3.10 9.45 0.00 -1.26 -5.01 105.19 110.34 2dmp n GLY 82 Ca -0.04 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2dmp n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmp s LYS 83 N -1.96 0.47 0.33 1.61 -0.14 -1.26 -5.16 119.74 113.63 2dmp s LYS 83 Ca 0.62 -0.37 -0.19 0.00 -1.36 0.00 0.00 55.97 54.67 2dmp s LYS 83 Cb -0.57 0.19 -0.10 0.00 -1.68 0.00 0.00 37.83 35.68 2dmp s LYS 83 CO 0.57 -0.11 0.83 -1.12 -0.76 0.00 0.00 175.35 174.76 2dmp s SER 84 N -1.31 6.96 0.21 2.83 0.01 -1.26 -5.06 113.70 116.08 2dmp s SER 84 Ca -0.14 1.51 -0.18 0.00 1.31 0.00 0.00 55.95 58.45 2dmp s SER 84 Cb -0.07 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 2dmp s SER 84 CO 0.01 -0.18 0.68 -0.83 0.41 0.00 0.00 173.24 173.34 2dmp s GLY 85 N -2.02 2.57 0.25 3.44 0.00 -1.26 -5.04 107.32 105.26 2dmp s GLY 85 Ca 0.54 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.05 2dmp s GLY 85 CO 0.18 0.42 1.26 2.56 0.00 0.00 0.00 173.10 177.52 2dmp s PRO 86 N -2.00 4.43 -0.03 2.90 0.04 -1.26 -4.96 135.00 134.12 2dmp s PRO 86 Ca 0.42 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.26 2dmp s PRO 86 Cb -0.16 -3.16 -0.20 0.00 0.04 0.00 0.00 34.50 31.02 2dmp s PRO 86 CO 0.20 -0.14 1.20 0.77 0.04 0.00 0.00 177.00 179.08 2dmp h SER 87 N 4.48 0.10 -2.51 6.66 0.02 -2.07 -3.44 113.55 116.78 2dmp h SER 87 Ca -0.46 -0.57 -0.53 0.00 -0.84 0.00 0.00 61.79 59.38 2dmp h SER 87 Cb 1.22 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 2dmp h SER 87 CO 0.72 0.65 -0.49 -0.94 -1.14 0.00 0.00 176.83 175.63 2dmp s SER 88 N -5.90 6.04 0.00 3.07 1.04 -1.26 -5.37 113.70 111.32 2dmp s SER 88 Ca -0.16 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2dmp s SER 88 Cb 0.02 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.41 2dmp s SER 88 CO 0.70 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.56