#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 2.49 0.11 1.61 1.04 -1.26 -5.06 113.70 112.63 2dmp s SER 2 Ca 0.00 -1.30 -0.13 0.00 0.48 0.00 0.00 55.95 55.00 2dmp s SER 2 Cb 0.00 -0.11 -0.11 0.00 0.10 0.00 0.00 66.02 65.89 2dmp s SER 2 CO 0.00 -0.51 1.37 0.77 0.98 0.00 0.00 173.24 175.85 2dmp h SER 3 N 2.19 0.92 -4.28 7.02 4.64 -2.09 -3.45 113.55 118.50 2dmp h SER 3 Ca -0.40 -0.56 -0.56 0.00 -0.47 0.00 0.00 61.79 59.80 2dmp h SER 3 Cb 1.24 -0.27 -0.25 0.00 -0.31 0.00 0.00 62.40 62.81 2dmp h SER 3 CO 0.69 1.31 -0.83 -0.83 -0.87 0.00 0.00 176.83 176.30 2dmp s GLY 4 N -3.96 1.07 1.00 -0.77 0.00 -1.26 -5.14 107.32 98.27 2dmp s GLY 4 Ca -0.11 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 2dmp s GLY 4 CO 0.88 -0.97 1.09 -1.35 0.00 0.00 0.00 173.10 172.75 2dmp s SER 5 N -1.21 2.35 -0.43 1.64 1.04 -1.26 -4.93 113.70 110.90 2dmp s SER 5 Ca 0.06 1.78 -0.28 0.00 0.48 0.00 0.00 55.95 57.99 2dmp s SER 5 Cb -0.09 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.67 2dmp s SER 5 CO 0.02 -3.39 1.07 -0.44 0.98 0.00 0.00 173.24 171.48 2dmp s SER 6 N -2.79 6.69 0.04 7.02 0.01 -1.26 -5.01 113.70 118.39 2dmp s SER 6 Ca 0.66 0.57 0.02 0.00 1.31 0.00 0.00 55.95 58.52 2dmp s SER 6 Cb -0.22 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2dmp s SER 6 CO 0.60 -1.09 -0.07 -0.83 0.41 0.00 0.00 173.24 172.25 2dmp s GLY 7 N 2.18 0.48 0.73 3.44 0.00 -1.26 -4.89 107.32 108.00 2dmp s GLY 7 Ca 0.45 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2dmp s GLY 7 CO 0.26 -0.77 1.09 0.00 0.00 0.00 0.00 173.10 173.68 2dmp s ALA 8 N -1.30 2.37 -0.02 3.20 0.00 -1.26 -5.07 121.76 119.68 2dmp s ALA 8 Ca -0.09 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 2dmp s ALA 8 Cb -0.09 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.84 2dmp s ALA 8 CO 0.00 -1.55 0.80 1.52 0.00 0.00 0.00 175.76 176.52 2dmp s TYR 9 N -2.76 -0.48 -0.73 0.00 -0.85 -1.26 -5.10 117.35 106.17 2dmp s TYR 9 Ca 0.62 0.59 -0.26 0.00 -0.52 0.00 0.00 57.07 57.51 2dmp s TYR 9 Cb -0.18 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.62 2dmp s TYR 9 CO 0.51 -0.58 1.90 -1.25 -1.52 0.00 0.00 175.55 174.61 2dmp s PRO 10 N -2.24 2.59 0.08 -3.49 0.04 -1.26 -4.89 135.00 125.82 2dmp s PRO 10 Ca -0.02 0.25 -0.26 0.00 0.04 0.00 0.00 61.00 61.01 2dmp s PRO 10 Cb -0.01 -4.66 0.08 0.00 0.04 0.00 0.00 34.50 29.95 2dmp s PRO 10 CO -0.02 -3.00 0.71 0.34 0.04 0.00 0.00 177.00 175.07 2dmp s ASP 11 N 8.09 -0.51 -0.32 6.66 2.15 -1.26 -5.14 116.67 126.34 2dmp s ASP 11 Ca 0.68 0.07 -0.07 0.00 0.43 0.00 0.00 52.55 53.67 2dmp s ASP 11 Cb -0.10 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.06 2dmp s ASP 11 CO 0.12 -0.81 0.10 0.72 -0.17 0.00 0.00 175.17 175.13 2dmp s PHE 12 N -3.25 3.20 0.02 -5.34 -0.71 -1.26 -5.08 117.98 105.56 2dmp s PHE 12 Ca 0.01 -1.17 -0.29 0.00 -1.04 0.00 0.00 56.93 54.45 2dmp s PHE 12 Cb -0.01 -2.28 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 2dmp s PHE 12 CO -0.09 -0.65 0.91 0.00 -1.34 0.00 0.00 175.22 174.05 2dmp s ALA 13 N 1.46 3.22 -0.68 1.99 0.00 -1.26 -4.93 121.76 121.56 2dmp s ALA 13 Ca 0.01 0.46 0.20 0.00 0.00 0.00 0.00 51.96 52.63 2dmp s ALA 13 Cb -0.18 -3.24 0.83 0.00 0.00 0.00 0.00 23.12 20.53 2dmp s ALA 13 CO 0.03 -0.14 1.61 -0.35 0.00 0.00 0.00 175.76 176.91 2dmp n PRO 14 N 3.52 0.12 -4.38 0.00 -0.04 -1.26 -4.66 135.00 128.30 2dmp n PRO 14 Ca 0.03 0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 63.51 2dmp n PRO 14 Cb 0.51 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 2dmp n PRO 14 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2dmp s GLN 15 N -3.19 3.36 0.48 0.54 0.74 -1.26 -5.11 119.66 115.22 2dmp s GLN 15 Ca 0.05 -0.46 -0.19 0.00 0.05 0.00 0.00 55.36 54.81 2dmp s GLN 15 Cb 0.09 -2.87 -0.09 0.00 1.10 0.00 0.00 33.01 31.24 2dmp s GLN 15 CO 0.34 0.45 0.97 0.21 -0.55 0.00 0.00 175.29 176.71 2dmp s LYS 16 N -0.20 4.05 0.09 1.67 2.20 -1.26 -4.97 119.74 121.32 2dmp s LYS 16 Ca 0.05 1.05 -0.34 0.00 -0.36 0.00 0.00 55.97 56.36 2dmp s LYS 16 Cb -0.13 -2.15 -0.14 0.00 -1.51 0.00 0.00 37.83 33.90 2dmp s LYS 16 CO 0.02 -0.18 1.60 1.19 -0.36 0.00 0.00 175.35 177.62 2dmp n PHE 17 N -1.15 2.17 -4.12 4.03 3.72 -1.26 -4.98 117.46 115.88 2dmp n PHE 17 Ca 0.07 0.28 -0.24 0.00 -0.05 0.00 0.00 57.45 57.51 2dmp n PHE 17 Cb 0.54 -2.53 -0.05 0.00 -0.94 0.00 0.00 39.48 36.50 2dmp n PHE 17 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2dmp s LYS 18 N 1.49 2.85 0.68 -1.08 -0.14 -1.26 -5.09 119.74 117.20 2dmp s LYS 18 Ca 0.83 -1.01 -0.17 0.00 -1.36 0.00 0.00 55.97 54.26 2dmp s LYS 18 Cb -0.73 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 32.87 2dmp s LYS 18 CO 0.42 0.43 1.26 -1.83 -0.76 0.00 0.00 175.35 174.87 2dmp s GLU 19 N -3.52 2.36 -0.13 1.68 -1.05 -1.26 -4.85 118.70 111.93 2dmp s GLU 19 Ca 0.32 1.95 -0.36 0.00 -0.15 0.00 0.00 54.97 56.73 2dmp s GLU 19 Cb -0.09 -1.84 -0.13 0.00 -0.44 0.00 0.00 34.13 31.63 2dmp s GLU 19 CO 0.24 -1.71 1.80 1.63 0.95 0.00 0.00 175.26 178.16 2dmp n LYS 20 N -2.25 1.80 -2.34 -4.83 4.76 -1.26 -4.91 118.16 109.14 2dmp n LYS 20 Ca 0.15 0.66 -0.39 0.00 -2.87 0.00 0.00 58.31 55.86 2dmp n LYS 20 Cb 0.49 -2.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.21 2dmp n LYS 20 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2dmp s THR 21 N 3.56 3.23 0.24 -0.18 2.01 -1.26 -4.83 115.64 118.40 2dmp s THR 21 Ca 0.93 1.11 -0.14 0.00 0.31 0.00 0.00 61.69 63.91 2dmp s THR 21 Cb -0.82 -3.66 0.30 0.00 0.01 0.00 0.00 72.50 68.32 2dmp s THR 21 CO 0.55 0.17 1.57 1.56 -0.69 0.00 0.00 174.62 177.79 2dmp h GLN 22 N 3.09 -0.03 -0.15 4.92 4.20 -2.00 -0.11 115.11 125.03 2dmp h GLN 22 Ca -0.48 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.28 2dmp h GLN 22 Cb 1.22 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.95 2dmp h GLN 22 CO 0.64 -0.02 -0.34 0.78 -0.67 0.00 0.00 178.83 179.22 2dmp h GLY 23 N -0.03 -0.47 0.11 3.46 0.00 -1.99 0.26 103.07 104.41 2dmp h GLY 23 Ca 0.37 0.42 0.01 0.00 0.00 0.00 0.00 47.33 48.12 2dmp h GLY 23 CO -0.89 -0.22 -0.35 1.46 0.00 0.00 0.00 176.54 176.54 2dmp h GLN 24 N -0.40 -0.50 -0.85 4.80 4.20 -1.39 -0.64 115.11 120.33 2dmp h GLN 24 Ca 0.10 0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.06 2dmp h GLN 24 Cb 0.56 0.11 -0.13 0.00 0.30 0.00 0.00 27.48 28.33 2dmp h GLN 24 CO -0.38 -0.33 0.27 0.28 -0.67 0.00 0.00 178.83 178.00 2dmp h VAL 25 N -0.52 0.40 -0.95 -0.54 2.07 -1.17 0.33 116.25 115.86 2dmp h VAL 25 Ca -0.01 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2dmp h VAL 25 Cb 0.51 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2dmp h VAL 25 CO -0.17 0.05 0.62 0.11 0.02 0.00 0.00 177.57 178.20 2dmp h LYS 26 N 0.28 1.18 -0.64 1.57 1.57 -0.24 0.17 116.57 120.45 2dmp h LYS 26 Ca 0.52 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 59.15 2dmp h LYS 26 Cb 1.01 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2dmp h LYS 26 CO -0.59 0.78 0.06 0.82 -0.57 0.00 0.00 179.45 179.96 2dmp h ILE 27 N 1.21 1.26 -0.00 1.86 2.04 0.11 -2.68 117.51 121.32 2dmp h ILE 27 Ca 0.38 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 2dmp h ILE 27 Cb -0.01 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2dmp h ILE 27 CO -0.12 0.40 -0.00 -0.07 0.00 0.00 0.00 178.15 178.36 2dmp h LEU 28 N 1.01 0.01 -0.70 1.44 3.38 -0.61 -3.24 115.31 116.59 2dmp h LEU 28 Ca 0.19 -0.53 0.15 0.00 0.09 0.00 0.00 57.88 57.78 2dmp h LEU 28 Cb 0.49 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 2dmp h LEU 28 CO 0.02 0.53 0.05 -0.33 0.09 0.00 0.00 178.44 178.81 2dmp h GLU 29 N -0.52 0.15 -0.84 1.13 5.08 -0.68 0.28 114.58 119.17 2dmp h GLU 29 Ca 0.00 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 2dmp h GLU 29 Cb 0.53 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 2dmp h GLU 29 CO 0.00 0.10 0.40 0.22 -1.00 0.00 0.00 179.01 178.73 2dmp h ASP 30 N 0.15 0.44 0.11 1.42 1.82 -1.51 0.40 116.42 119.26 2dmp h ASP 30 Ca 0.38 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 57.13 2dmp h ASP 30 Cb 0.65 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2dmp h ASP 30 CO -0.57 0.15 -0.05 0.28 -1.61 0.00 0.00 179.24 177.43 2dmp h SER 31 N 0.54 -0.13 0.17 2.28 0.02 -0.79 -3.28 113.55 112.35 2dmp h SER 31 Ca 0.48 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2dmp h SER 31 Cb 0.75 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 2dmp h SER 31 CO -0.41 0.49 -0.38 0.15 -1.14 0.00 0.00 176.83 175.54 2dmp h PHE 32 N -0.95 -1.08 -0.94 3.45 3.04 -0.28 0.14 116.94 120.32 2dmp h PHE 32 Ca -0.02 0.02 0.37 0.00 3.98 0.00 0.00 57.97 62.33 2dmp h PHE 32 Cb 0.48 0.45 -0.14 0.00 2.56 0.00 0.00 35.95 39.30 2dmp h PHE 32 CO 0.09 -0.45 0.54 1.28 -2.02 0.00 0.00 178.31 177.76 2dmp n LEU 33 N -4.62 0.26 -0.03 0.59 4.77 0.14 0.22 117.00 118.32 2dmp n LEU 33 Ca -0.07 1.32 -0.09 0.00 -0.03 0.00 0.00 56.01 57.15 2dmp n LEU 33 Cb 0.31 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2dmp n LEU 33 CO 0.13 -1.47 0.27 0.11 -1.33 0.00 0.00 177.39 175.11 2dmp h LYS 34 N 0.00 -0.05 -3.24 3.23 1.57 -1.32 -3.45 116.57 113.31 2dmp h LYS 34 Ca 0.72 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 59.02 2dmp h LYS 34 Cb 2.04 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 33.96 2dmp h LYS 34 CO -0.57 0.49 -0.76 -1.12 -0.57 0.00 0.00 179.45 176.93 2dmp s SER 35 N -5.83 2.65 0.24 0.86 0.01 0.13 -5.02 113.70 106.75 2dmp s SER 35 Ca -0.11 -0.75 -0.07 0.00 1.31 0.00 0.00 55.95 56.33 2dmp s SER 35 Cb -0.01 -0.40 0.42 0.00 0.21 0.00 0.00 66.02 66.25 2dmp s SER 35 CO 0.42 -0.34 1.64 0.77 0.41 0.00 0.00 173.24 176.14 2dmp h SER 36 N 8.34 -0.32 -3.13 2.44 4.64 -1.75 -3.31 113.55 120.47 2dmp h SER 36 Ca -0.16 0.19 -0.74 0.00 -0.47 0.00 0.00 61.79 60.62 2dmp h SER 36 Cb 1.13 0.33 -0.22 0.00 -0.31 0.00 0.00 62.40 63.33 2dmp h SER 36 CO 0.32 -0.17 -0.16 -0.36 -0.87 0.00 0.00 176.83 175.59 2dmp s PHE 37 N -6.11 3.18 0.73 4.77 0.08 -1.26 -4.86 117.98 114.50 2dmp s PHE 37 Ca -0.13 -1.05 -0.12 0.00 0.12 0.00 0.00 56.93 55.74 2dmp s PHE 37 Cb 0.22 -3.64 0.03 0.00 -0.57 0.00 0.00 43.02 39.06 2dmp s PHE 37 CO 0.75 -1.01 1.10 -1.25 -0.10 0.00 0.00 175.22 174.71 2dmp s PRO 38 N 1.92 2.48 0.22 0.24 0.04 -1.24 -5.06 135.00 133.60 2dmp s PRO 38 Ca 0.06 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2dmp s PRO 38 Cb -0.26 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2dmp s PRO 38 CO 0.05 -1.49 0.35 -0.08 0.04 0.00 0.00 177.00 175.88 2dmp s THR 39 N -2.66 5.27 0.21 1.26 -1.32 -1.26 -4.82 115.64 112.31 2dmp s THR 39 Ca 0.64 -0.85 -0.14 0.00 -1.21 0.00 0.00 61.69 60.12 2dmp s THR 39 Cb -0.19 -3.82 0.24 0.00 -1.51 0.00 0.00 72.50 67.22 2dmp s THR 39 CO 0.50 -0.28 1.38 0.00 -2.21 0.00 0.00 174.62 174.02 2dmp n GLN 40 N -1.18 -0.19 -0.07 7.08 1.13 -1.26 0.59 117.38 123.48 2dmp n GLN 40 Ca -0.08 1.37 -0.08 0.00 -1.94 0.00 0.00 57.00 56.27 2dmp n GLN 40 Cb 0.56 -2.04 -0.01 0.00 0.11 0.00 0.00 30.24 28.86 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 1.31 0.30 0.11 -1.58 0.00 -1.99 -1.30 119.26 116.11 2dmp h ALA 41 Ca 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dmp h ALA 41 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dmp h ALA 41 CO -0.89 -0.31 -0.09 1.49 0.00 0.00 0.00 179.25 179.46 2dmp h GLU 42 N 0.22 -0.18 -0.82 0.00 4.81 -0.23 -2.71 114.58 115.67 2dmp h GLU 42 Ca 0.12 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.52 2dmp h GLU 42 Cb 0.08 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 29.34 2dmp h GLU 42 CO -0.11 -0.12 -0.23 -0.07 -0.73 0.00 0.00 179.01 177.74 2dmp h LEU 43 N -0.19 -0.86 -0.90 1.64 3.38 -1.01 0.38 115.31 117.76 2dmp h LEU 43 Ca -0.01 0.25 0.25 0.00 0.09 0.00 0.00 57.88 58.46 2dmp h LEU 43 Cb 0.16 0.54 -0.15 0.00 0.09 0.00 0.00 40.66 41.30 2dmp h LEU 43 CO 0.00 -0.28 0.22 -0.78 0.09 0.00 0.00 178.44 177.69 2dmp h ASP 44 N -0.02 -0.06 1.12 -0.43 3.58 -1.10 1.05 116.42 120.57 2dmp h ASP 44 Ca 0.38 0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.93 2dmp h ASP 44 Cb 0.60 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 2dmp h ASP 44 CO -0.85 -0.21 -0.53 -0.09 -2.88 0.00 0.00 179.24 174.69 2dmp h ARG 45 N 0.16 0.00 0.10 0.28 2.43 0.02 -3.06 114.38 114.30 2dmp h ARG 45 Ca 0.58 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.74 2dmp h ARG 45 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2dmp h ARG 45 CO -0.71 0.53 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.17 2dmp h LEU 46 N 0.00 -0.11 0.76 3.80 3.38 0.25 -1.35 115.31 122.04 2dmp h LEU 46 Ca -0.01 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 2dmp h LEU 46 Cb 1.23 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2dmp h LEU 46 CO 0.07 0.34 -0.49 0.03 0.09 0.00 0.00 178.44 178.48 2dmp h ARG 47 N -0.59 -1.14 -0.24 1.13 3.08 -0.85 0.31 114.38 116.09 2dmp h ARG 47 Ca -0.01 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.17 2dmp h ARG 47 Cb 0.48 0.26 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 2dmp h ARG 47 CO 0.02 -0.76 -0.20 -0.24 -1.07 0.00 0.00 179.97 177.72 2dmp h VAL 48 N -1.18 0.47 0.48 2.04 3.04 -1.65 1.96 116.25 121.41 2dmp h VAL 48 Ca -0.10 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.57 2dmp h VAL 48 Cb 0.95 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2dmp h VAL 48 CO 0.09 0.00 -0.32 -0.33 -1.01 0.00 0.00 177.57 176.00 2dmp h GLU 49 N -0.20 -0.73 0.00 4.17 5.08 -1.15 -2.00 114.58 119.74 2dmp h GLU 49 Ca 0.14 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2dmp h GLU 49 Cb 0.41 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dmp h GLU 49 CO -0.36 -0.49 0.00 0.25 -1.00 0.00 0.00 179.01 177.42 2dmp n THR 50 N -4.34 0.55 -3.59 1.13 -2.24 0.11 -4.85 114.28 101.04 2dmp n THR 50 Ca -0.09 0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 2dmp n THR 50 Cb 0.32 -0.92 0.07 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.24 -6.72 -4.63 -0.78 4.76 0.62 -4.88 118.16 105.28 2dmp n LYS 51 Ca 0.07 0.78 -0.29 0.00 -2.87 0.00 0.00 58.31 55.99 2dmp n LYS 51 Cb 0.10 -5.72 -0.08 0.00 -1.84 0.00 0.00 35.03 27.48 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 -6.86 2.18 0.29 -0.35 1.43 0.14 -4.98 118.68 110.53 2dmp s LEU 52 Ca 0.29 -1.64 0.09 0.00 -1.03 0.00 0.00 54.13 51.83 2dmp s LEU 52 Cb -0.13 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 2dmp s LEU 52 CO 0.76 -0.86 0.09 -0.44 0.23 0.00 0.00 176.35 176.13 2dmp s SER 53 N -3.74 4.82 0.17 2.29 0.01 -1.26 -4.37 113.70 111.63 2dmp s SER 53 Ca 0.16 -0.59 -0.26 0.00 1.31 0.00 0.00 55.95 56.57 2dmp s SER 53 Cb 0.03 -0.93 0.03 0.00 0.21 0.00 0.00 66.02 65.35 2dmp s SER 53 CO 0.09 -0.11 1.57 0.03 0.41 0.00 0.00 173.24 175.23 2dmp h ARG 54 N 1.67 -0.22 -0.08 12.44 2.47 -1.98 -0.85 114.38 127.83 2dmp h ARG 54 Ca -0.45 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.32 2dmp h ARG 54 Cb 1.25 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.58 2dmp h ARG 54 CO 0.61 -0.15 -0.15 0.00 0.56 0.00 0.00 179.97 180.85 2dmp h ARG 55 N -0.23 -0.20 -0.52 0.04 3.08 -1.98 0.13 114.38 114.70 2dmp h ARG 55 Ca 0.18 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.29 2dmp h ARG 55 Cb 0.56 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 2dmp h ARG 55 CO -0.69 -0.13 -0.51 0.93 -1.07 0.00 0.00 179.97 178.49 2dmp h GLU 56 N -0.21 -0.25 -0.29 0.04 5.08 -1.59 -1.33 114.58 116.03 2dmp h GLU 56 Ca 0.08 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2dmp h GLU 56 Cb 0.32 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2dmp h GLU 56 CO -0.21 -0.17 0.18 0.82 -1.00 0.00 0.00 179.01 178.64 2dmp h ILE 57 N -0.26 1.10 -0.80 3.13 2.04 -1.10 -2.77 117.51 118.85 2dmp h ILE 57 Ca 0.09 -0.23 0.28 0.00 1.00 0.00 0.00 64.86 65.99 2dmp h ILE 57 Cb 0.49 0.73 -0.15 0.00 -0.74 0.00 0.00 36.82 37.15 2dmp h ILE 57 CO -0.63 0.10 0.22 -0.67 0.00 0.00 0.00 178.15 177.17 2dmp n ASP 58 N -4.85 0.09 0.05 1.72 -0.08 0.44 0.11 116.55 114.02 2dmp n ASP 58 Ca -0.02 1.34 -0.13 0.00 -1.51 0.00 0.00 54.79 54.48 2dmp n ASP 58 Cb 0.05 -0.57 -0.09 0.00 2.34 0.00 0.00 41.12 42.85 2dmp n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2dmp h SER 59 N 0.00 -0.10 -0.10 1.67 0.02 -1.17 0.50 113.55 114.38 2dmp h SER 59 Ca 0.58 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 2dmp h SER 59 Cb 1.39 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.89 2dmp h SER 59 CO -0.69 0.21 -0.40 -0.25 -1.14 0.00 0.00 176.83 174.57 2dmp h TRP 60 N -0.41 -1.12 -0.21 3.45 7.01 0.70 -0.38 115.95 124.99 2dmp h TRP 60 Ca -0.01 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2dmp h TRP 60 Cb 0.35 0.51 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 2dmp h TRP 60 CO 0.02 -0.46 0.11 0.74 -2.79 0.00 0.00 178.44 176.06 2dmp h PHE 61 N -0.49 0.28 -0.69 2.65 -1.00 -1.29 0.25 116.94 116.64 2dmp h PHE 61 Ca 0.07 -0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.00 2dmp h PHE 61 Cb 0.62 -0.09 -0.12 0.00 3.61 0.00 0.00 35.95 39.97 2dmp h PHE 61 CO -0.45 0.25 0.04 0.77 -1.61 0.00 0.00 178.31 177.31 2dmp h SER 62 N 0.23 -0.25 -0.01 2.17 0.02 -0.37 -1.65 113.55 113.69 2dmp h SER 62 Ca 0.07 0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 2dmp h SER 62 Cb 0.06 0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.90 2dmp h SER 62 CO -0.01 -0.13 -0.49 -0.33 -1.14 0.00 0.00 176.83 174.74 2dmp h GLU 63 N 0.14 0.35 -1.17 3.45 4.39 -0.86 -3.26 114.58 117.63 2dmp h GLU 63 Ca 0.37 -0.36 0.40 0.00 0.34 0.00 0.00 59.36 60.11 2dmp h GLU 63 Cb 0.64 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.24 2dmp h GLU 63 CO -0.58 1.04 0.71 -0.09 -1.16 0.00 0.00 179.01 178.94 2dmp h ARG 64 N -0.19 0.12 -0.28 2.33 9.65 0.39 0.71 114.38 127.10 2dmp h ARG 64 Ca -0.06 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.77 2dmp h ARG 64 Cb 1.20 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 2dmp h ARG 64 CO 0.10 0.08 -0.00 0.00 2.80 0.00 0.00 179.97 182.95 2dmp h ARG 65 N 0.13 0.50 -1.02 0.20 3.08 -1.42 -2.91 114.38 112.93 2dmp h ARG 65 Ca 0.80 -0.16 0.25 0.00 0.07 0.00 0.00 59.98 60.95 2dmp h ARG 65 Cb 2.28 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 32.17 2dmp h ARG 65 CO -0.54 0.65 0.63 0.87 -1.07 0.00 0.00 179.97 180.52 2dmp h LYS 66 N 0.29 0.49 -0.34 0.04 6.56 0.34 0.42 116.57 124.37 2dmp h LYS 66 Ca 0.08 -0.03 -0.13 0.00 -1.06 0.00 0.00 60.65 59.51 2dmp h LYS 66 Cb 0.43 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2dmp h LYS 66 CO 0.01 0.32 -0.31 -0.07 -2.06 0.00 0.00 179.45 177.35 2dmp h LEU 67 N 0.50 0.77 -0.26 2.94 3.38 -1.32 -2.91 115.31 118.42 2dmp h LEU 67 Ca 0.62 -0.31 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 2dmp h LEU 67 Cb 1.35 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2dmp h LEU 67 CO -0.39 1.02 -0.72 0.03 0.09 0.00 0.00 178.44 178.46 2dmp h ARG 68 N 0.63 0.71 -0.77 1.13 3.08 -0.24 -3.20 114.38 115.71 2dmp h ARG 68 Ca 0.07 -0.55 0.07 0.00 0.07 0.00 0.00 59.98 59.64 2dmp h ARG 68 Cb 0.83 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 2dmp h ARG 68 CO 0.07 1.17 0.45 -0.44 -1.07 0.00 0.00 179.97 180.15 2dmp h ASP 69 N 0.50 0.69 -5.27 7.04 5.19 -0.45 -3.47 116.42 120.65 2dmp h ASP 69 Ca -0.03 0.03 -0.34 0.00 -0.62 0.00 0.00 57.03 56.06 2dmp h ASP 69 Cb 1.33 -0.11 0.13 0.00 0.18 0.00 0.00 39.33 40.86 2dmp h ASP 69 CO 0.14 0.43 -0.62 -1.20 -3.12 0.00 0.00 179.24 174.88 2dmp n SER 70 N -4.71 -5.04 -3.62 6.45 7.64 -1.11 -2.59 113.62 110.64 2dmp n SER 70 Ca 0.11 -0.49 -0.22 0.00 1.01 0.00 0.00 58.87 59.27 2dmp n SER 70 Cb 0.19 -4.52 0.06 0.00 -1.01 0.00 0.00 64.21 58.93 2dmp n SER 70 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2dmp n MET 71 N -4.33 -6.50 -3.40 1.43 1.56 -1.26 -4.99 117.12 99.62 2dmp n MET 71 Ca -0.05 0.75 -0.21 0.00 -0.27 0.00 0.00 57.70 57.93 2dmp n MET 71 Cb 0.57 -5.67 -0.00 0.00 2.15 0.00 0.00 33.22 30.28 2dmp n MET 71 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2dmp s GLU 72 N -6.00 3.16 -0.41 2.12 2.12 -1.07 -5.02 118.70 113.61 2dmp s GLU 72 Ca 0.29 -0.80 -0.28 0.00 0.36 0.00 0.00 54.97 54.54 2dmp s GLU 72 Cb -0.14 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 2dmp s GLU 72 CO 0.76 0.02 1.85 -0.65 -0.54 0.00 0.00 175.26 176.71 2dmp s GLN 73 N -4.26 3.09 -0.21 4.30 -1.52 -1.26 -4.94 119.66 114.86 2dmp s GLN 73 Ca 0.44 1.22 -0.16 0.00 -1.95 0.00 0.00 55.36 54.91 2dmp s GLN 73 Cb -0.10 -4.27 0.06 0.00 -0.22 0.00 0.00 33.01 28.49 2dmp s GLN 73 CO 0.33 -2.16 0.54 0.00 -0.25 0.00 0.00 175.29 173.75 2dmp s ALA 74 N 7.74 -1.39 0.35 6.09 0.00 -1.26 -5.15 121.76 128.15 2dmp s ALA 74 Ca 0.78 1.71 -0.27 0.00 0.00 0.00 0.00 51.96 54.17 2dmp s ALA 74 Cb -0.20 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 2dmp s ALA 74 CO 0.30 -0.28 1.20 0.54 0.00 0.00 0.00 175.76 177.52 2dmp s VAL 75 N 0.80 3.06 0.10 0.00 0.11 -1.26 -5.04 120.40 118.18 2dmp s VAL 75 Ca -0.04 0.99 -0.09 0.00 -2.93 0.00 0.00 61.98 59.91 2dmp s VAL 75 Cb -0.05 -3.60 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 2dmp s VAL 75 CO -0.06 0.18 0.21 -1.48 -3.33 0.00 0.00 175.10 170.62 2dmp s LEU 76 N -2.03 1.31 0.60 2.54 0.05 -1.26 -5.17 118.68 114.72 2dmp s LEU 76 Ca 0.52 -0.69 -0.06 0.00 0.05 0.00 0.00 54.13 53.95 2dmp s LEU 76 Cb -0.34 1.08 0.02 0.00 -2.05 0.00 0.00 46.19 44.90 2dmp s LEU 76 CO 0.44 -0.76 0.91 -0.62 -0.55 0.00 0.00 176.35 175.77 2dmp s ASP 77 N -2.88 5.46 -0.00 1.48 2.15 -1.26 -5.09 116.67 116.53 2dmp s ASP 77 Ca 0.07 0.63 0.02 0.00 0.43 0.00 0.00 52.55 53.71 2dmp s ASP 77 Cb 0.05 -1.58 -0.03 0.00 -0.30 0.00 0.00 42.92 41.05 2dmp s ASP 77 CO -0.09 -1.14 -0.02 -0.55 -0.17 0.00 0.00 175.17 173.20 2dmp s SER 78 N -4.34 4.94 -0.01 -0.34 0.15 -1.26 -5.12 113.70 107.73 2dmp s SER 78 Ca 0.55 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.85 2dmp s SER 78 Cb -0.11 -1.25 0.08 0.00 -1.71 0.00 0.00 66.02 63.03 2dmp s SER 78 CO 0.45 0.28 0.70 -0.32 1.20 0.00 0.00 173.24 175.55 2dmp s MET 79 N -1.48 1.06 -0.28 5.44 1.75 -1.26 -5.17 119.30 119.35 2dmp s MET 79 Ca 0.18 0.07 -0.19 0.00 -1.25 0.00 0.00 55.69 54.51 2dmp s MET 79 Cb -0.11 0.50 0.11 0.00 2.84 0.00 0.00 34.83 38.16 2dmp s MET 79 CO 0.09 -0.37 0.86 0.20 -0.65 0.00 0.00 175.02 175.15 2dmp s GLY 80 N -1.56 -0.31 0.14 2.11 0.00 -1.26 -5.18 107.32 101.27 2dmp s GLY 80 Ca -0.07 2.69 -0.03 0.00 0.00 0.00 0.00 44.72 47.31 2dmp s GLY 80 CO 0.04 2.30 0.12 -0.56 0.00 0.00 0.00 173.10 174.99 2dmp s SER 81 N 1.13 0.24 -0.15 1.64 0.01 -1.26 -5.15 113.70 110.15 2dmp s SER 81 Ca -0.06 -1.12 -0.02 0.00 1.31 0.00 0.00 55.95 56.06 2dmp s SER 81 Cb -0.04 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.56 2dmp s SER 81 CO -0.13 -0.77 0.00 -0.83 0.41 0.00 0.00 173.24 171.92 2dmp s GLY 82 N -3.03 0.71 -0.03 3.44 0.00 -1.26 -5.13 107.32 102.03 2dmp s GLY 82 Ca 0.22 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.44 2dmp s GLY 82 CO 0.01 1.21 -0.24 -1.59 0.00 0.00 0.00 173.10 172.49 2dmp s LYS 83 N 1.83 2.25 0.20 2.90 0.00 -1.26 -5.13 119.74 120.52 2dmp s LYS 83 Ca 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 55.97 55.05 2dmp s LYS 83 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 37.83 35.53 2dmp s LYS 83 CO -0.07 0.54 0.21 -1.54 0.00 0.00 0.00 175.35 174.49 2dmp s SER 84 N -0.55 0.11 0.00 0.03 1.04 -1.26 -5.06 113.70 108.01 2dmp s SER 84 Ca 0.08 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2dmp s SER 84 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2dmp s SER 84 CO -0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2dmp n GLY 85 N -0.27 -0.99 3.75 7.32 0.00 -1.26 -5.15 105.19 108.59 2dmp n GLY 85 Ca -0.01 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 2dmp n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmp s PRO 86 N 0.00 1.88 0.65 1.61 0.04 -1.26 -5.03 135.00 132.89 2dmp s PRO 86 Ca 0.00 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2dmp s PRO 86 Cb 0.00 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2dmp s PRO 86 CO 0.00 -1.87 1.04 0.45 0.04 0.00 0.00 177.00 176.66 2dmp s SER 87 N -3.40 5.87 -1.38 6.66 0.15 -1.26 -3.95 113.70 116.38 2dmp s SER 87 Ca 0.62 1.52 -0.08 0.00 0.70 0.00 0.00 55.95 58.71 2dmp s SER 87 Cb -0.17 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2dmp s SER 87 CO 0.56 -1.12 1.07 -0.24 1.20 0.00 0.00 173.24 174.72 2dmp n SER 88 N -2.86 -5.00 0.00 5.45 2.88 -1.26 -5.27 113.62 107.56 2dmp n SER 88 Ca 0.07 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 2dmp n SER 88 Cb 0.54 -4.68 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 2dmp n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42