#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 0.84 0.35 1.61 0.01 -1.26 -5.18 113.70 110.07 2dmp s SER 2 Ca 0.00 -1.52 0.04 0.00 1.31 0.00 0.00 55.95 55.78 2dmp s SER 2 Cb 0.00 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 2dmp s SER 2 CO 0.00 -1.00 0.15 -0.44 0.41 0.00 0.00 173.24 172.36 2dmp s SER 3 N -3.25 2.17 0.38 2.44 0.01 -1.26 -5.18 113.70 109.02 2dmp s SER 3 Ca 0.38 -1.62 0.04 0.00 1.31 0.00 0.00 55.95 56.06 2dmp s SER 3 Cb 0.04 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2dmp s SER 3 CO 0.19 -0.90 0.08 -0.83 0.41 0.00 0.00 173.24 172.18 2dmp s GLY 4 N -3.49 2.42 -0.23 3.44 0.00 -1.26 -5.14 107.32 103.06 2dmp s GLY 4 Ca 0.31 -1.55 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 2dmp s GLY 4 CO 0.17 -1.88 0.01 -1.35 0.00 0.00 0.00 173.10 170.05 2dmp s SER 5 N -3.59 3.55 0.86 1.64 1.04 -1.26 -5.13 113.70 110.82 2dmp s SER 5 Ca 0.28 -1.14 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 2dmp s SER 5 Cb 0.06 -0.92 0.06 0.00 0.10 0.00 0.00 66.02 65.32 2dmp s SER 5 CO 0.14 -0.30 0.85 -1.20 0.98 0.00 0.00 173.24 173.71 2dmp n SER 6 N 4.83 -0.40 -4.10 7.02 7.64 -1.26 -5.04 113.62 122.32 2dmp n SER 6 Ca -0.09 0.47 -0.12 0.00 1.01 0.00 0.00 58.87 60.14 2dmp n SER 6 Cb 0.45 -1.37 -0.09 0.00 -1.01 0.00 0.00 64.21 62.19 2dmp n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmp s GLY 7 N -2.10 1.46 0.41 0.23 0.00 -1.26 -5.17 107.32 100.88 2dmp s GLY 7 Ca 0.66 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 2dmp s GLY 7 CO 0.58 -1.35 0.65 0.00 0.00 0.00 0.00 173.10 172.99 2dmp s ALA 8 N -4.07 3.57 0.46 3.20 0.00 -1.26 -5.08 121.76 118.58 2dmp s ALA 8 Ca 0.38 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 2dmp s ALA 8 Cb 0.06 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 2dmp s ALA 8 CO 0.13 -0.17 0.98 1.52 0.00 0.00 0.00 175.76 178.22 2dmp s TYR 9 N -2.50 3.27 -0.40 0.00 1.13 -1.26 -4.98 117.35 112.62 2dmp s TYR 9 Ca 0.43 1.57 -0.28 0.00 -1.41 0.00 0.00 57.07 57.38 2dmp s TYR 9 Cb -0.10 -2.88 -0.01 0.00 -1.10 0.00 0.00 41.96 37.87 2dmp s TYR 9 CO 0.40 -0.32 1.74 -1.25 -2.51 0.00 0.00 175.55 173.61 2dmp s PRO 10 N -3.40 3.25 0.01 -3.49 0.04 -1.26 -4.98 135.00 125.18 2dmp s PRO 10 Ca 0.62 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.86 2dmp s PRO 10 Cb -0.11 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2dmp s PRO 10 CO 0.19 -1.96 -0.03 0.16 0.04 0.00 0.00 177.00 175.39 2dmp s ASP 11 N 6.05 0.34 0.70 6.66 -4.77 -1.26 -5.16 116.67 119.23 2dmp s ASP 11 Ca 0.74 -0.21 -0.11 0.00 -3.30 0.00 0.00 52.55 49.67 2dmp s ASP 11 Cb -0.19 0.01 0.02 0.00 -1.09 0.00 0.00 42.92 41.66 2dmp s ASP 11 CO 0.31 -0.07 1.09 0.72 0.70 0.00 0.00 175.17 177.92 2dmp s PHE 12 N -0.52 3.30 0.32 2.11 -0.71 -1.26 -5.02 117.98 116.19 2dmp s PHE 12 Ca -0.04 1.00 -0.28 0.00 -1.04 0.00 0.00 56.93 56.57 2dmp s PHE 12 Cb -0.04 -3.07 -0.10 0.00 -1.21 0.00 0.00 43.02 38.60 2dmp s PHE 12 CO -0.00 -1.19 1.18 0.00 -1.34 0.00 0.00 175.22 173.87 2dmp s ALA 13 N -3.35 3.39 1.20 1.99 0.00 -1.26 -5.03 121.76 118.70 2dmp s ALA 13 Ca 0.58 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 2dmp s ALA 13 Cb -0.11 -3.39 0.28 0.00 0.00 0.00 0.00 23.12 19.91 2dmp s ALA 13 CO 0.51 -0.40 1.11 -1.25 0.00 0.00 0.00 175.76 175.73 2dmp s PRO 14 N -1.73 -1.19 0.43 0.00 0.04 -1.26 -5.01 135.00 126.28 2dmp s PRO 14 Ca 0.48 -0.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.24 2dmp s PRO 14 Cb -0.34 -1.60 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2dmp s PRO 14 CO 0.45 -3.69 1.06 -0.65 0.04 0.00 0.00 177.00 174.20 2dmp s GLN 15 N -5.39 4.01 0.27 4.56 -1.52 -1.26 -4.93 119.66 115.40 2dmp s GLN 15 Ca 0.71 1.50 -0.08 0.00 -1.95 0.00 0.00 55.36 55.54 2dmp s GLN 15 Cb -0.10 -2.39 0.45 0.00 -0.22 0.00 0.00 33.01 30.75 2dmp s GLN 15 CO 0.56 -0.28 1.53 1.63 -0.25 0.00 0.00 175.29 178.48 2dmp n LYS 16 N -0.39 -0.09 -4.85 2.91 4.01 -1.26 -4.31 118.16 114.18 2dmp n LYS 16 Ca 0.07 1.53 -0.32 0.00 -0.51 0.00 0.00 58.31 59.08 2dmp n LYS 16 Cb 0.50 -2.28 -0.13 0.00 -0.51 0.00 0.00 35.03 32.61 2dmp n LYS 16 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2dmp s PHE 17 N -6.23 2.60 -0.02 2.13 5.36 -1.26 -5.08 117.98 115.48 2dmp s PHE 17 Ca -0.15 -0.23 -0.08 0.00 -0.96 0.00 0.00 56.93 55.51 2dmp s PHE 17 Cb 0.26 -1.55 0.01 0.00 -0.34 0.00 0.00 43.02 41.41 2dmp s PHE 17 CO 0.76 0.18 0.17 0.21 -1.46 0.00 0.00 175.22 175.08 2dmp s LYS 18 N -1.00 0.42 0.13 10.12 2.47 -1.26 -5.14 119.74 125.48 2dmp s LYS 18 Ca 0.13 -0.19 -0.31 0.00 -1.56 0.00 0.00 55.97 54.04 2dmp s LYS 18 Cb -0.10 0.18 -0.07 0.00 -1.46 0.00 0.00 37.83 36.37 2dmp s LYS 18 CO 0.02 -0.10 1.27 -1.21 0.16 0.00 0.00 175.35 175.50 2dmp s GLU 19 N -0.96 4.41 -0.07 4.03 2.02 -1.26 -4.99 118.70 121.88 2dmp s GLU 19 Ca -0.10 1.93 -0.29 0.00 0.02 0.00 0.00 54.97 56.52 2dmp s GLU 19 Cb -0.06 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 2dmp s GLU 19 CO 0.01 -0.27 0.98 0.15 0.02 0.00 0.00 175.26 176.16 2dmp s LYS 20 N 0.59 4.47 0.56 1.61 1.02 -1.26 -5.05 119.74 121.69 2dmp s LYS 20 Ca 0.59 1.37 -0.03 0.00 0.02 0.00 0.00 55.97 57.92 2dmp s LYS 20 Cb -0.33 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.48 2dmp s LYS 20 CO 0.33 -0.20 0.83 -0.08 -0.92 0.00 0.00 175.35 175.30 2dmp s THR 21 N 1.60 3.36 0.28 2.17 -1.32 -1.26 -4.86 115.64 115.61 2dmp s THR 21 Ca 0.49 -0.29 -0.05 0.00 -1.21 0.00 0.00 61.69 60.63 2dmp s THR 21 Cb -0.19 -3.31 0.38 0.00 -1.51 0.00 0.00 72.50 67.87 2dmp s THR 21 CO 0.22 -0.28 1.59 0.06 -2.21 0.00 0.00 174.62 173.99 2dmp h GLN 22 N -0.04 0.03 0.13 7.08 3.07 -1.99 -1.66 115.11 121.72 2dmp h GLN 22 Ca -0.45 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 2dmp h GLN 22 Cb 1.27 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.81 2dmp h GLN 22 CO 0.58 0.02 -0.23 0.78 0.09 0.00 0.00 178.83 180.07 2dmp h GLY 23 N 0.03 -1.09 -0.77 0.06 0.00 -1.99 0.12 103.07 99.42 2dmp h GLY 23 Ca 0.49 0.51 0.13 0.00 0.00 0.00 0.00 47.33 48.46 2dmp h GLY 23 CO -0.88 -0.35 -0.38 1.46 0.00 0.00 0.00 176.54 176.39 2dmp h GLN 24 N -0.38 -0.07 -0.71 4.80 4.20 -1.67 0.38 115.11 121.66 2dmp h GLN 24 Ca -0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.77 2dmp h GLN 24 Cb 0.35 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 2dmp h GLN 24 CO -0.08 -0.04 0.39 0.28 -0.67 0.00 0.00 178.83 178.70 2dmp h VAL 25 N -0.07 0.94 -0.70 -0.54 2.07 -1.18 -1.77 116.25 115.01 2dmp h VAL 25 Ca 0.29 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2dmp h VAL 25 Cb 0.57 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2dmp h VAL 25 CO -0.87 0.13 0.43 0.50 0.02 0.00 0.00 177.57 177.78 2dmp h LYS 26 N 0.70 0.79 -0.73 1.57 1.63 0.24 0.27 116.57 121.04 2dmp h LYS 26 Ca 0.33 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 2dmp h LYS 26 Cb 0.24 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 2dmp h LYS 26 CO -0.21 0.53 0.35 0.82 -3.45 0.00 0.00 179.45 177.49 2dmp h ILE 27 N 0.82 1.23 0.29 2.00 2.04 -0.22 -2.49 117.51 121.17 2dmp h ILE 27 Ca 0.29 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2dmp h ILE 27 Cb 0.07 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2dmp h ILE 27 CO -0.13 0.28 -0.14 -0.07 0.00 0.00 0.00 178.15 178.09 2dmp h LEU 28 N 1.04 -0.33 -0.99 1.44 3.38 -0.66 -2.85 115.31 116.34 2dmp h LEU 28 Ca 0.25 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.38 2dmp h LEU 28 Cb 0.10 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 40.76 2dmp h LEU 28 CO -0.03 0.14 -0.30 -0.62 0.09 0.00 0.00 178.44 177.71 2dmp n GLU 29 N -5.03 -0.14 -0.26 1.13 1.02 0.87 0.14 120.64 118.36 2dmp n GLU 29 Ca -0.05 1.54 -0.02 0.00 -0.02 0.00 0.00 57.16 58.62 2dmp n GLU 29 Cb 0.17 -2.30 0.17 0.00 -0.02 0.00 0.00 31.44 29.46 2dmp n GLU 29 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2dmp h ASP 30 N 0.00 0.97 -0.44 1.62 3.58 -1.55 0.33 116.42 120.93 2dmp h ASP 30 Ca 0.43 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.71 2dmp h ASP 30 Cb 0.68 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 2dmp h ASP 30 CO -1.01 0.76 -0.12 -1.28 -2.88 0.00 0.00 179.24 174.71 2dmp h SER 31 N 1.11 0.91 0.15 2.28 0.87 0.14 -2.52 113.55 116.49 2dmp h SER 31 Ca 0.29 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2dmp h SER 31 Cb -0.02 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2dmp h SER 31 CO -0.05 1.03 -0.07 0.15 -0.53 0.00 0.00 176.83 177.36 2dmp h PHE 32 N 0.81 -0.19 -1.44 2.24 3.57 0.03 -1.53 116.94 120.44 2dmp h PHE 32 Ca 0.13 -0.00 0.43 0.00 3.53 0.00 0.00 57.97 62.06 2dmp h PHE 32 Cb 0.65 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.36 2dmp h PHE 32 CO 0.04 -0.12 1.00 -0.07 -2.23 0.00 0.00 178.31 176.93 2dmp h LEU 33 N -0.94 0.13 0.05 0.59 3.38 -0.46 1.17 115.31 119.24 2dmp h LEU 33 Ca -0.02 0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 2dmp h LEU 33 Cb 0.16 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2dmp h LEU 33 CO 0.03 -0.05 -1.43 0.07 0.09 0.00 0.00 178.44 177.15 2dmp h LYS 34 N 0.07 0.10 -1.25 1.13 2.10 -1.52 -3.45 116.57 113.76 2dmp h LYS 34 Ca 0.76 -0.18 -0.03 0.00 -2.00 0.00 0.00 60.65 59.20 2dmp h LYS 34 Cb 2.72 0.07 -0.24 0.00 -0.90 0.00 0.00 32.23 33.87 2dmp h LYS 34 CO -0.18 0.90 -0.42 -1.54 -2.00 0.00 0.00 179.45 176.22 2dmp s SER 35 N -6.64 -0.92 0.27 7.07 1.04 0.40 -5.03 113.70 109.88 2dmp s SER 35 Ca -0.05 0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 2dmp s SER 35 Cb 0.08 1.74 0.58 0.00 0.10 0.00 0.00 66.02 68.52 2dmp s SER 35 CO 0.83 -0.31 1.74 0.28 0.98 0.00 0.00 173.24 176.77 2dmp h SER 36 N 8.06 0.46 -3.37 7.02 0.02 -1.60 -3.33 113.55 120.81 2dmp h SER 36 Ca -0.07 0.11 -0.72 0.00 -0.84 0.00 0.00 61.79 60.27 2dmp h SER 36 Cb 1.16 0.05 -0.29 0.00 0.14 0.00 0.00 62.40 63.46 2dmp h SER 36 CO 0.20 0.16 -0.44 -0.36 -1.14 0.00 0.00 176.83 175.26 2dmp s PHE 37 N -5.95 3.40 0.95 3.45 0.40 -1.26 -4.92 117.98 114.05 2dmp s PHE 37 Ca -0.12 -1.79 -0.16 0.00 -0.60 0.00 0.00 56.93 54.27 2dmp s PHE 37 Cb 0.22 -3.26 0.24 0.00 0.51 0.00 0.00 43.02 40.73 2dmp s PHE 37 CO 0.78 -0.94 0.85 -0.35 0.70 0.00 0.00 175.22 176.26 2dmp n PRO 38 N 4.89 -2.66 -4.14 0.24 -0.04 -1.25 -5.09 135.00 126.94 2dmp n PRO 38 Ca -0.08 -1.35 -0.11 0.00 -0.04 0.00 0.00 63.50 61.91 2dmp n PRO 38 Cb 0.42 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 2dmp n PRO 38 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2dmp s THR 39 N -2.54 0.63 0.15 0.52 -1.32 -1.26 -4.96 115.64 106.88 2dmp s THR 39 Ca 0.55 -1.70 -0.14 0.00 -1.21 0.00 0.00 61.69 59.19 2dmp s THR 39 Cb -0.05 -1.38 0.13 0.00 -1.51 0.00 0.00 72.50 69.68 2dmp s THR 39 CO 0.42 -0.74 1.10 0.00 -2.21 0.00 0.00 174.62 173.19 2dmp n GLN 40 N 0.37 -0.20 0.20 7.08 3.00 -1.26 0.10 117.38 126.68 2dmp n GLN 40 Ca -0.15 1.09 -0.16 0.00 -0.01 0.00 0.00 57.00 57.77 2dmp n GLN 40 Cb 0.59 -1.62 -0.09 0.00 0.00 0.00 0.00 30.24 29.13 2dmp n GLN 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dmp h ALA 41 N 0.86 -0.92 0.06 -1.58 0.00 -2.00 -1.06 119.26 114.63 2dmp h ALA 41 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dmp h ALA 41 Cb 0.40 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2dmp h ALA 41 CO -0.70 -1.07 -0.12 1.49 0.00 0.00 0.00 179.25 178.85 2dmp h GLU 42 N -0.82 -0.20 -0.93 0.00 4.57 -0.74 -2.83 114.58 113.65 2dmp h GLU 42 Ca -0.02 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 2dmp h GLU 42 Cb 0.76 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 29.27 2dmp h GLU 42 CO -0.14 -0.13 -0.49 1.28 -1.18 0.00 0.00 179.01 178.34 2dmp n LEU 43 N -3.11 -0.87 -0.33 1.64 4.77 0.27 0.10 117.00 119.48 2dmp n LEU 43 Ca -0.02 1.64 0.24 0.00 -0.03 0.00 0.00 56.01 57.84 2dmp n LEU 43 Cb 0.10 -0.26 0.46 0.00 -2.33 0.00 0.00 43.42 41.39 2dmp n LEU 43 CO 0.05 -1.38 0.95 -0.78 -1.33 0.00 0.00 177.39 174.90 2dmp h ASP 44 N 0.00 -0.02 0.64 -1.43 1.82 -1.00 1.66 116.42 118.09 2dmp h ASP 44 Ca 0.20 0.27 -0.19 0.00 -0.39 0.00 0.00 57.03 56.92 2dmp h ASP 44 Cb 0.43 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 2dmp h ASP 44 CO -0.88 -0.40 -0.86 -0.09 -1.61 0.00 0.00 179.24 175.40 2dmp h ARG 45 N 0.01 0.14 -0.09 0.28 2.43 0.90 -3.08 114.38 114.97 2dmp h ARG 45 Ca 0.74 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.73 2dmp h ARG 45 Cb 1.80 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2dmp h ARG 45 CO -0.83 0.91 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.45 2dmp h LEU 46 N 0.08 0.17 0.57 3.80 3.38 0.39 -0.47 115.31 123.24 2dmp h LEU 46 Ca -0.03 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2dmp h LEU 46 Cb 1.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2dmp h LEU 46 CO 0.13 0.49 -0.43 0.03 0.09 0.00 0.00 178.44 178.75 2dmp h ARG 47 N -0.15 -0.92 -0.55 1.13 3.08 -0.69 0.28 114.38 116.56 2dmp h ARG 47 Ca 0.02 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.21 2dmp h ARG 47 Cb 0.42 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 2dmp h ARG 47 CO 0.01 -0.62 0.21 -0.24 -1.07 0.00 0.00 179.97 178.26 2dmp h VAL 48 N -0.96 0.82 0.53 2.04 3.04 -1.62 2.08 116.25 122.18 2dmp h VAL 48 Ca -0.08 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2dmp h VAL 48 Cb 0.79 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2dmp h VAL 48 CO 0.03 0.07 -0.30 -0.33 -1.01 0.00 0.00 177.57 176.03 2dmp h GLU 49 N 0.40 -0.74 0.00 4.17 5.08 -0.90 -2.55 114.58 120.04 2dmp h GLU 49 Ca 0.27 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2dmp h GLU 49 Cb 0.29 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dmp h GLU 49 CO -0.26 -0.49 0.00 0.25 -1.00 0.00 0.00 179.01 177.51 2dmp n THR 50 N -4.22 0.44 -3.31 1.13 -2.24 0.97 -4.88 114.28 102.17 2dmp n THR 50 Ca -0.09 0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.63 2dmp n THR 50 Cb 0.31 -0.79 0.08 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.31 -6.13 -4.58 -0.78 4.76 0.66 -4.90 118.16 105.88 2dmp n LYS 51 Ca 0.09 0.73 -0.27 0.00 -2.87 0.00 0.00 58.31 55.99 2dmp n LYS 51 Cb 0.16 -5.43 -0.09 0.00 -1.84 0.00 0.00 35.03 27.84 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 -6.00 2.18 0.55 -0.35 1.43 0.16 -4.97 118.68 111.67 2dmp s LEU 52 Ca 0.16 -1.59 0.08 0.00 -1.03 0.00 0.00 54.13 51.75 2dmp s LEU 52 Cb -0.07 -0.39 0.06 0.00 0.03 0.00 0.00 46.19 45.82 2dmp s LEU 52 CO 0.63 -0.81 0.63 -0.94 0.23 0.00 0.00 176.35 176.09 2dmp s SER 53 N -3.66 4.96 0.09 2.29 1.04 -1.26 -4.35 113.70 112.80 2dmp s SER 53 Ca 0.22 -0.96 -0.26 0.00 0.48 0.00 0.00 55.95 55.43 2dmp s SER 53 Cb 0.04 0.25 -0.14 0.00 0.10 0.00 0.00 66.02 66.28 2dmp s SER 53 CO 0.12 -1.20 1.69 0.03 0.98 0.00 0.00 173.24 174.86 2dmp h ARG 54 N 0.44 -0.31 0.38 4.02 2.47 -1.99 -2.64 114.38 116.75 2dmp h ARG 54 Ca -0.33 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.39 2dmp h ARG 54 Cb 1.29 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2dmp h ARG 54 CO 0.48 -0.21 -0.18 0.00 0.56 0.00 0.00 179.97 180.62 2dmp h ARG 55 N -0.33 -0.49 -0.98 0.04 3.08 -1.98 0.66 114.38 114.39 2dmp h ARG 55 Ca -0.01 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.24 2dmp h ARG 55 Cb 0.29 0.11 -0.17 0.00 0.08 0.00 0.00 29.97 30.27 2dmp h ARG 55 CO -0.00 -0.31 -0.32 0.93 -1.07 0.00 0.00 179.97 179.19 2dmp h GLU 56 N -0.53 -0.00 -0.15 0.04 5.08 -1.94 0.15 114.58 117.23 2dmp h GLU 56 Ca -0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2dmp h GLU 56 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2dmp h GLU 56 CO 0.08 -0.00 -0.22 0.82 -1.00 0.00 0.00 179.01 178.69 2dmp h ILE 57 N -0.01 1.36 -0.96 3.13 2.04 -1.33 -3.13 117.51 118.62 2dmp h ILE 57 Ca 0.40 -1.45 0.31 0.00 1.00 0.00 0.00 64.86 65.12 2dmp h ILE 57 Cb 0.65 1.94 -0.15 0.00 -0.74 0.00 0.00 36.82 38.52 2dmp h ILE 57 CO -0.99 0.43 0.42 0.44 0.00 0.00 0.00 178.15 178.45 2dmp h ASP 58 N 0.04 0.25 -0.29 1.72 5.19 0.17 0.39 116.42 123.89 2dmp h ASP 58 Ca 0.01 0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.55 2dmp h ASP 58 Cb 0.79 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 2dmp h ASP 58 CO 0.05 -0.20 -0.14 -1.28 -3.12 0.00 0.00 179.24 174.55 2dmp h SER 59 N 0.22 0.62 0.17 6.45 0.87 -1.16 0.14 113.55 120.86 2dmp h SER 59 Ca 0.68 -0.41 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2dmp h SER 59 Cb 1.55 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 2dmp h SER 59 CO -0.67 0.89 -0.30 -0.25 -0.53 0.00 0.00 176.83 175.98 2dmp h TRP 60 N 0.35 -0.80 0.06 2.24 7.01 -0.22 -1.34 115.95 123.25 2dmp h TRP 60 Ca 0.06 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2dmp h TRP 60 Cb 0.66 0.33 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2dmp h TRP 60 CO 0.06 -0.41 -0.03 0.74 -2.79 0.00 0.00 178.44 176.02 2dmp h PHE 61 N -0.55 -0.07 -0.97 2.65 -1.00 -1.25 0.14 116.94 115.89 2dmp h PHE 61 Ca 0.02 -0.00 0.31 0.00 2.81 0.00 0.00 57.97 61.10 2dmp h PHE 61 Cb 0.55 0.02 -0.15 0.00 3.61 0.00 0.00 35.95 39.98 2dmp h PHE 61 CO -0.24 0.30 0.45 0.77 -1.61 0.00 0.00 178.31 177.98 2dmp h SER 62 N -0.45 0.31 0.18 2.17 0.02 -0.63 0.21 113.55 115.35 2dmp h SER 62 Ca -0.01 0.21 -0.31 0.00 -0.84 0.00 0.00 61.79 60.84 2dmp h SER 62 Cb 0.40 0.20 0.02 0.00 0.14 0.00 0.00 62.40 63.16 2dmp h SER 62 CO 0.01 -0.19 -1.47 -0.33 -1.14 0.00 0.00 176.83 173.71 2dmp h GLU 63 N 0.24 0.38 -0.89 3.45 3.07 -1.17 -3.32 114.58 116.34 2dmp h GLU 63 Ca 0.69 -0.65 0.14 0.00 -0.50 0.00 0.00 59.36 59.04 2dmp h GLU 63 Cb 1.57 0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 29.63 2dmp h GLU 63 CO -0.65 1.31 0.50 -0.09 -1.40 0.00 0.00 179.01 178.67 2dmp h ARG 64 N -0.05 0.70 -0.28 2.33 9.65 0.16 -1.44 114.38 125.45 2dmp h ARG 64 Ca -0.29 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.57 2dmp h ARG 64 Cb 1.97 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 30.37 2dmp h ARG 64 CO 0.17 0.47 0.14 0.00 2.80 0.00 0.00 179.97 183.55 2dmp h ARG 65 N 0.73 0.29 -1.01 0.20 3.08 -0.83 -2.27 114.38 114.57 2dmp h ARG 65 Ca 0.47 -0.02 0.31 0.00 0.07 0.00 0.00 59.98 60.82 2dmp h ARG 65 Cb 0.62 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.46 2dmp h ARG 65 CO -0.33 0.19 0.59 0.87 -1.07 0.00 0.00 179.97 180.22 2dmp h LYS 66 N 0.30 0.35 -0.74 0.04 6.56 -1.36 0.80 116.57 122.52 2dmp h LYS 66 Ca 0.11 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2dmp h LYS 66 Cb 0.02 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.57 2dmp h LYS 66 CO -0.07 0.23 0.49 -0.07 -2.06 0.00 0.00 179.45 177.97 2dmp h LEU 67 N 0.36 0.84 0.00 2.94 3.38 -1.35 -1.15 115.31 120.33 2dmp h LEU 67 Ca 0.72 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.55 2dmp h LEU 67 Cb 1.63 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.19 2dmp h LEU 67 CO -0.57 0.61 -0.49 -0.09 0.09 0.00 0.00 178.44 177.99 2dmp h ARG 68 N 0.99 0.33 -0.91 1.13 2.43 0.52 -3.29 114.38 115.58 2dmp h ARG 68 Ca 0.28 -0.35 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2dmp h ARG 68 Cb -0.09 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 2dmp h ARG 68 CO -0.06 1.05 0.55 0.22 -1.51 0.00 0.00 179.97 180.22 2dmp h ASP 69 N -0.25 0.83 -2.45 -3.80 3.58 -0.82 -3.39 116.42 110.12 2dmp h ASP 69 Ca -0.06 0.04 -0.30 0.00 0.42 0.00 0.00 57.03 57.12 2dmp h ASP 69 Cb 1.22 -0.13 0.17 0.00 1.72 0.00 0.00 39.33 42.32 2dmp h ASP 69 CO 0.10 0.48 -0.24 -1.20 -2.88 0.00 0.00 179.24 175.49 2dmp n SER 70 N -4.65 -3.40 0.00 2.28 7.64 -0.46 -4.80 113.62 110.23 2dmp n SER 70 Ca 0.15 -0.57 0.02 0.00 1.01 0.00 0.00 58.87 59.49 2dmp n SER 70 Cb 0.27 -0.90 0.12 0.00 -1.01 0.00 0.00 64.21 62.68 2dmp n SER 70 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2dmp n MET 71 N -3.65 0.88 -0.73 1.43 0.00 -1.26 -4.87 117.12 108.91 2dmp n MET 71 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.46 2dmp n MET 71 Cb 0.47 -1.07 0.15 0.00 0.00 0.00 0.00 33.22 32.77 2dmp n MET 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2dmp n GLU 72 N -0.57 -1.07 -0.42 3.17 4.07 -1.26 -4.76 120.64 119.79 2dmp n GLU 72 Ca 0.03 -0.29 0.36 0.00 -0.06 0.00 0.00 57.16 57.20 2dmp n GLU 72 Cb 0.01 -1.75 0.68 0.00 -0.06 0.00 0.00 31.44 30.33 2dmp n GLU 72 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2dmp h GLN 73 N -1.85 0.11 -6.75 5.31 -0.00 -1.90 -3.39 115.11 106.63 2dmp h GLN 73 Ca -0.50 -0.01 -0.52 0.00 -0.00 0.00 0.00 58.65 57.63 2dmp h GLN 73 Cb 1.33 -0.03 0.03 0.00 -0.00 0.00 0.00 27.48 28.81 2dmp h GLN 73 CO 0.36 0.07 0.55 0.00 -0.00 0.00 0.00 178.83 179.82 2dmp s ALA 74 N -5.16 3.45 -0.06 0.06 0.00 -1.26 -5.04 121.76 113.76 2dmp s ALA 74 Ca -0.07 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.92 2dmp s ALA 74 Cb 0.26 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2dmp s ALA 74 CO 0.82 -0.36 -0.10 0.54 0.00 0.00 0.00 175.76 176.67 2dmp s VAL 75 N -0.63 3.45 -0.27 0.00 0.11 -1.26 -4.79 120.40 117.02 2dmp s VAL 75 Ca 0.50 -0.59 -0.17 0.00 -2.93 0.00 0.00 61.98 58.79 2dmp s VAL 75 Cb -0.34 -2.40 -0.03 0.00 -1.53 0.00 0.00 36.38 32.08 2dmp s VAL 75 CO 0.41 0.58 0.45 -0.22 -3.33 0.00 0.00 175.10 173.00 2dmp s LEU 76 N -0.82 4.06 -0.43 2.54 0.20 -1.26 -5.00 118.68 117.97 2dmp s LEU 76 Ca 0.12 0.38 -0.28 0.00 0.69 0.00 0.00 54.13 55.05 2dmp s LEU 76 Cb -0.11 -2.55 -0.00 0.00 -0.43 0.00 0.00 46.19 43.10 2dmp s LEU 76 CO 0.01 -0.25 1.60 -1.81 -0.29 0.00 0.00 176.35 175.61 2dmp s ASP 77 N 1.60 6.03 0.14 3.68 1.11 -1.26 -4.97 116.67 122.99 2dmp s ASP 77 Ca 0.18 0.85 -0.30 0.00 0.18 0.00 0.00 52.55 53.46 2dmp s ASP 77 Cb -0.16 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.23 2dmp s ASP 77 CO 0.10 -1.68 1.14 -0.44 1.18 0.00 0.00 175.17 175.46 2dmp s SER 78 N 5.24 7.19 -0.30 0.27 0.01 -1.26 -5.02 113.70 119.83 2dmp s SER 78 Ca 0.67 2.07 0.01 0.00 1.31 0.00 0.00 55.95 60.00 2dmp s SER 78 Cb -0.16 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.57 2dmp s SER 78 CO 0.30 -0.31 0.06 -0.32 0.41 0.00 0.00 173.24 173.38 2dmp s MET 79 N 0.11 1.05 -0.00 12.44 1.75 -1.26 -4.99 119.30 128.40 2dmp s MET 79 Ca 0.53 -1.24 -0.01 0.00 -1.25 0.00 0.00 55.69 53.72 2dmp s MET 79 Cb -0.29 -2.41 0.00 0.00 2.84 0.00 0.00 34.83 34.97 2dmp s MET 79 CO 0.33 -0.89 0.02 0.41 -0.65 0.00 0.00 175.02 174.23 2dmp n GLY 80 N 4.67 -4.16 3.35 2.11 0.00 -1.26 -5.11 105.19 104.80 2dmp n GLY 80 Ca -0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.27 -0.35 -0.12 1.61 0.15 -1.26 -5.16 113.70 108.29 2dmp s SER 81 Ca -0.02 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.74 2dmp s SER 81 Cb 0.00 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2dmp s SER 81 CO 0.05 -0.64 -0.03 -0.83 1.20 0.00 0.00 173.24 172.99 2dmp s GLY 82 N -1.82 1.76 -0.10 9.45 0.00 -1.26 -5.07 107.32 110.29 2dmp s GLY 82 Ca -0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 2dmp s GLY 82 CO -0.00 -0.30 1.63 1.25 0.00 0.00 0.00 173.10 175.68 2dmp s LYS 83 N -0.18 4.09 0.01 2.90 2.36 -1.26 -4.99 119.74 122.66 2dmp s LYS 83 Ca 0.04 2.05 -0.05 0.00 -2.55 0.00 0.00 55.97 55.45 2dmp s LYS 83 Cb -0.13 -3.99 -0.05 0.00 -1.05 0.00 0.00 37.83 32.62 2dmp s LYS 83 CO 0.02 -0.95 0.25 -1.12 1.55 0.00 0.00 175.35 175.10 2dmp s SER 84 N 3.54 6.46 -0.43 1.43 0.01 -1.26 -5.07 113.70 118.38 2dmp s SER 84 Ca 0.72 0.51 0.05 0.00 1.31 0.00 0.00 55.95 58.54 2dmp s SER 84 Cb -0.31 -2.07 0.17 0.00 0.21 0.00 0.00 66.02 64.03 2dmp s SER 84 CO 0.29 0.24 0.49 -0.83 0.41 0.00 0.00 173.24 173.84 2dmp s GLY 85 N -1.80 -0.15 0.37 3.44 0.00 -1.26 -5.14 107.32 102.78 2dmp s GLY 85 Ca 0.28 -1.14 -0.27 0.00 0.00 0.00 0.00 44.72 43.60 2dmp s GLY 85 CO 0.17 2.91 1.20 2.56 0.00 0.00 0.00 173.10 179.95 2dmp s PRO 86 N 0.91 4.19 -0.01 2.90 0.04 -1.26 -5.05 135.00 136.71 2dmp s PRO 86 Ca 0.25 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.26 2dmp s PRO 86 Cb -0.05 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2dmp s PRO 86 CO -0.08 -0.24 -0.05 0.45 0.04 0.00 0.00 177.00 177.12 2dmp s SER 87 N -0.91 0.66 -0.31 6.66 0.15 -1.26 -5.13 113.70 113.56 2dmp s SER 87 Ca 0.53 -0.09 -0.15 0.00 0.70 0.00 0.00 55.95 56.94 2dmp s SER 87 Cb -0.34 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 2dmp s SER 87 CO 0.43 0.02 0.37 -0.44 1.20 0.00 0.00 173.24 174.82 2dmp s SER 88 N 0.21 6.21 0.00 5.45 0.01 -1.26 -5.37 113.70 118.95 2dmp s SER 88 Ca -0.02 0.04 0.31 0.00 1.31 0.00 0.00 55.95 57.58 2dmp s SER 88 Cb -0.06 -2.20 1.64 0.00 0.21 0.00 0.00 66.02 65.60 2dmp s SER 88 CO -0.00 -0.26 2.08 0.61 0.41 0.00 0.00 173.24 176.07