#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmp n SER 2 N 0.00 -0.89 -3.10 1.61 3.41 -1.26 -4.79 113.62 108.60 2dmp n SER 2 Ca 0.00 1.49 -0.08 0.00 -0.26 0.00 0.00 58.87 60.02 2dmp n SER 2 Cb 0.00 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 63.77 2dmp n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmp s SER 3 N -5.42 -0.04 -0.29 4.04 0.01 -1.26 -5.15 113.70 105.59 2dmp s SER 3 Ca -0.10 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.13 2dmp s SER 3 Cb 0.09 0.81 0.20 0.00 0.21 0.00 0.00 66.02 67.33 2dmp s SER 3 CO 0.52 -1.60 0.71 -0.83 0.41 0.00 0.00 173.24 172.45 2dmp s GLY 4 N -3.06 -1.14 0.09 3.44 0.00 -1.26 -5.16 107.32 100.22 2dmp s GLY 4 Ca 0.15 1.41 0.04 0.00 0.00 0.00 0.00 44.72 46.32 2dmp s GLY 4 CO 0.10 3.77 -0.10 -1.35 0.00 0.00 0.00 173.10 175.52 2dmp s SER 5 N 2.87 1.41 0.11 1.64 1.04 -1.26 -5.16 113.70 114.34 2dmp s SER 5 Ca 0.15 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2dmp s SER 5 Cb -0.08 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2dmp s SER 5 CO -0.24 -0.23 -0.10 -0.55 0.98 0.00 0.00 173.24 173.10 2dmp s SER 6 N -2.22 1.58 -0.18 7.02 0.15 -1.26 -5.14 113.70 113.65 2dmp s SER 6 Ca 0.02 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2dmp s SER 6 Cb -0.05 0.00 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 2dmp s SER 6 CO 0.00 -0.28 -0.10 -0.83 1.20 0.00 0.00 173.24 173.23 2dmp s GLY 7 N -2.69 1.18 -0.22 9.45 0.00 -1.26 -5.10 107.32 108.68 2dmp s GLY 7 Ca 0.09 -1.07 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2dmp s GLY 7 CO 0.00 0.71 1.02 0.00 0.00 0.00 0.00 173.10 174.83 2dmp s ALA 8 N 1.46 3.66 0.07 3.20 0.00 -1.26 -5.03 121.76 123.86 2dmp s ALA 8 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.21 2dmp s ALA 8 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2dmp s ALA 8 CO -0.09 -1.00 -0.18 0.71 0.00 0.00 0.00 175.76 175.21 2dmp s TYR 9 N 3.05 1.53 -0.76 0.00 2.02 -1.26 -5.08 117.35 116.85 2dmp s TYR 9 Ca 0.44 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 56.47 2dmp s TYR 9 Cb -0.15 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 2dmp s TYR 9 CO 0.07 0.11 1.91 -1.25 -1.57 0.00 0.00 175.55 174.82 2dmp s PRO 10 N -1.59 2.59 0.10 -1.71 0.04 -1.26 -4.96 135.00 128.22 2dmp s PRO 10 Ca 0.03 0.15 0.09 0.00 0.04 0.00 0.00 61.00 61.32 2dmp s PRO 10 Cb -0.09 -4.73 -0.04 0.00 0.04 0.00 0.00 34.50 29.67 2dmp s PRO 10 CO 0.03 -3.06 -0.22 0.34 0.04 0.00 0.00 177.00 174.12 2dmp s ASP 11 N 8.07 3.57 -0.23 6.66 -1.08 -1.26 -5.12 116.67 127.29 2dmp s ASP 11 Ca 0.69 -0.61 -0.01 0.00 -0.52 0.00 0.00 52.55 52.09 2dmp s ASP 11 Cb -0.10 -0.40 0.02 0.00 -1.46 0.00 0.00 42.92 40.98 2dmp s ASP 11 CO 0.10 0.20 -0.09 0.12 0.52 0.00 0.00 175.17 176.02 2dmp s PHE 12 N -1.04 2.98 -0.17 -5.34 5.36 -1.26 -5.09 117.98 113.43 2dmp s PHE 12 Ca 0.15 -1.44 -0.16 0.00 -0.96 0.00 0.00 56.93 54.52 2dmp s PHE 12 Cb -0.10 -2.04 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 2dmp s PHE 12 CO 0.07 -0.71 0.46 0.00 -1.46 0.00 0.00 175.22 173.58 2dmp s ALA 13 N 1.35 -1.13 0.66 11.12 0.00 -1.26 -5.16 121.76 127.33 2dmp s ALA 13 Ca 0.02 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 2dmp s ALA 13 Cb -0.15 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 2dmp s ALA 13 CO -0.06 -0.22 1.11 -1.25 0.00 0.00 0.00 175.76 175.34 2dmp s PRO 14 N 0.17 2.81 0.25 0.00 0.04 -1.26 -5.07 135.00 131.95 2dmp s PRO 14 Ca -0.01 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 2dmp s PRO 14 Cb -0.03 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2dmp s PRO 14 CO 0.01 -1.24 0.35 -0.65 0.04 0.00 0.00 177.00 175.51 2dmp s GLN 15 N -4.08 1.51 -0.08 4.56 -0.21 -1.26 -5.17 119.66 114.92 2dmp s GLN 15 Ca 0.67 -1.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.48 2dmp s GLN 15 Cb -0.21 0.39 0.03 0.00 1.00 0.00 0.00 33.01 34.23 2dmp s GLN 15 CO 0.41 -0.59 0.20 -1.59 -2.12 0.00 0.00 175.29 171.61 2dmp s LYS 16 N -3.86 0.20 0.32 2.91 -2.85 -1.26 -5.14 119.74 110.07 2dmp s LYS 16 Ca 0.31 0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 55.35 2dmp s LYS 16 Cb 0.02 -0.00 -0.10 0.00 -2.06 0.00 0.00 37.83 35.68 2dmp s LYS 16 CO 0.13 -0.09 1.35 0.12 0.10 0.00 0.00 175.35 176.97 2dmp s PHE 17 N 0.62 2.98 0.06 1.78 5.36 -1.26 -5.00 117.98 122.52 2dmp s PHE 17 Ca -0.04 1.31 -0.17 0.00 -0.96 0.00 0.00 56.93 57.07 2dmp s PHE 17 Cb -0.06 -3.75 -0.06 0.00 -0.34 0.00 0.00 43.02 38.81 2dmp s PHE 17 CO -0.03 -2.16 0.52 0.15 -1.46 0.00 0.00 175.22 172.24 2dmp s LYS 18 N -1.58 4.07 0.48 10.12 1.02 -1.26 -5.09 119.74 127.51 2dmp s LYS 18 Ca 0.51 0.59 0.01 0.00 0.02 0.00 0.00 55.97 57.10 2dmp s LYS 18 Cb -0.41 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2dmp s LYS 18 CO 0.53 0.63 0.70 -1.21 -0.92 0.00 0.00 175.35 175.07 2dmp s GLU 19 N -1.25 2.93 0.01 1.68 0.41 -1.26 -5.12 118.70 116.10 2dmp s GLU 19 Ca 0.29 -0.56 0.05 0.00 -0.41 0.00 0.00 54.97 54.34 2dmp s GLU 19 Cb -0.18 -2.54 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 2dmp s GLU 19 CO 0.17 -0.39 -0.14 0.15 -0.49 0.00 0.00 175.26 174.57 2dmp s LYS 20 N -4.61 1.08 0.43 1.61 1.02 -1.26 -5.12 119.74 112.88 2dmp s LYS 20 Ca 0.51 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.86 2dmp s LYS 20 Cb -0.10 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 2dmp s LYS 20 CO 0.38 0.28 0.69 0.95 -0.92 0.00 0.00 175.35 176.74 2dmp s THR 21 N -0.51 4.98 0.31 2.17 -4.23 -1.26 -4.83 115.64 112.26 2dmp s THR 21 Ca 0.04 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 2dmp s THR 21 Cb -0.06 -3.86 0.38 0.00 1.34 0.00 0.00 72.50 70.30 2dmp s THR 21 CO 0.00 -0.72 1.59 1.56 -0.54 0.00 0.00 174.62 176.51 2dmp h GLN 22 N 0.49 0.06 0.91 3.99 4.20 -2.01 -0.56 115.11 122.18 2dmp h GLN 22 Ca -0.48 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 2dmp h GLN 22 Cb 1.21 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.98 2dmp h GLN 22 CO 0.62 0.04 -0.46 0.78 -0.67 0.00 0.00 178.83 179.13 2dmp h GLY 23 N 0.06 -1.33 -0.10 3.46 0.00 -1.99 -1.32 103.07 101.85 2dmp h GLY 23 Ca 0.60 0.50 0.06 0.00 0.00 0.00 0.00 47.33 48.49 2dmp h GLY 23 CO -0.83 -0.48 -0.41 1.46 0.00 0.00 0.00 176.54 176.29 2dmp h GLN 24 N -1.25 -0.39 -0.87 4.80 4.20 -1.52 -0.48 115.11 119.59 2dmp h GLN 24 Ca -0.12 0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.79 2dmp h GLN 24 Cb 0.97 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.73 2dmp h GLN 24 CO 0.19 -0.26 0.42 0.28 -0.67 0.00 0.00 178.83 178.79 2dmp h VAL 25 N -0.41 0.61 -0.80 -0.54 2.07 -1.17 0.55 116.25 116.57 2dmp h VAL 25 Ca 0.11 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2dmp h VAL 25 Cb 0.60 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 2dmp h VAL 25 CO -0.47 0.09 0.47 0.50 0.02 0.00 0.00 177.57 178.19 2dmp h LYS 26 N 0.52 0.80 -0.58 1.57 3.11 0.11 0.19 116.57 122.30 2dmp h LYS 26 Ca 0.51 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 58.25 2dmp h LYS 26 Cb 0.85 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.87 2dmp h LYS 26 CO -0.44 0.53 0.14 0.82 -2.81 0.00 0.00 179.45 177.69 2dmp h ILE 27 N 0.83 1.23 -0.10 2.00 2.04 -0.32 -2.26 117.51 120.94 2dmp h ILE 27 Ca 0.37 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 2dmp h ILE 27 Cb 0.27 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2dmp h ILE 27 CO -0.21 0.32 -0.25 -0.07 0.00 0.00 0.00 178.15 177.94 2dmp h LEU 28 N 0.86 0.38 -0.10 1.44 3.38 -0.71 -3.06 115.31 117.51 2dmp h LEU 28 Ca 0.19 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.61 2dmp h LEU 28 Cb 0.31 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2dmp h LEU 28 CO -0.00 0.90 -0.22 -0.33 0.09 0.00 0.00 178.44 178.89 2dmp h GLU 29 N -0.12 -0.28 -0.89 1.13 5.08 -0.55 -0.36 114.58 118.59 2dmp h GLU 29 Ca -0.00 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 2dmp h GLU 29 Cb 0.86 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 2dmp h GLU 29 CO 0.05 -0.19 0.48 0.22 -1.00 0.00 0.00 179.01 178.57 2dmp h ASP 30 N -0.29 0.59 0.01 1.42 1.82 -1.49 0.27 116.42 118.75 2dmp h ASP 30 Ca 0.09 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2dmp h ASP 30 Cb 0.42 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2dmp h ASP 30 CO -0.26 0.24 -0.00 -1.28 -1.61 0.00 0.00 179.24 176.32 2dmp h SER 31 N 0.66 -0.01 0.28 2.28 0.87 -1.19 -2.91 113.55 113.53 2dmp h SER 31 Ca 0.49 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2dmp h SER 31 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2dmp h SER 31 CO -0.37 0.20 -0.13 0.15 -0.53 0.00 0.00 176.83 176.15 2dmp h PHE 32 N -0.22 -0.35 -1.01 2.24 3.04 -0.19 -0.02 116.94 120.43 2dmp h PHE 32 Ca -0.00 -0.01 0.35 0.00 3.98 0.00 0.00 57.97 62.29 2dmp h PHE 32 Cb 0.21 0.11 -0.10 0.00 2.56 0.00 0.00 35.95 38.74 2dmp h PHE 32 CO -0.01 -0.22 0.65 1.28 -2.02 0.00 0.00 178.31 178.00 2dmp n LEU 33 N -3.20 0.15 -0.06 0.59 4.77 0.87 0.89 117.00 121.01 2dmp n LEU 33 Ca -0.05 1.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.85 2dmp n LEU 33 Cb 0.15 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2dmp n LEU 33 CO 0.11 -1.09 0.22 0.11 -1.33 0.00 0.00 177.39 175.41 2dmp h LYS 34 N 0.00 0.00 -3.16 3.23 1.57 -1.38 -3.45 116.57 113.39 2dmp h LYS 34 Ca 0.64 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.91 2dmp h LYS 34 Cb 2.08 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.98 2dmp h LYS 34 CO -0.33 0.61 -0.76 -1.12 -0.57 0.00 0.00 179.45 177.27 2dmp s SER 35 N -5.97 3.12 0.34 0.86 0.01 0.26 -5.01 113.70 107.31 2dmp s SER 35 Ca -0.12 -1.04 0.14 0.00 1.31 0.00 0.00 55.95 56.24 2dmp s SER 35 Cb -0.02 -0.45 1.07 0.00 0.21 0.00 0.00 66.02 66.83 2dmp s SER 35 CO 0.42 -0.38 1.66 0.77 0.41 0.00 0.00 173.24 176.12 2dmp h SER 36 N 8.33 0.50 -3.52 2.44 4.64 -1.73 -3.27 113.55 120.93 2dmp h SER 36 Ca -0.17 0.19 -0.70 0.00 -0.47 0.00 0.00 61.79 60.65 2dmp h SER 36 Cb 1.08 0.14 -0.33 0.00 -0.31 0.00 0.00 62.40 62.98 2dmp h SER 36 CO 0.38 -0.14 -0.56 -0.36 -0.87 0.00 0.00 176.83 175.29 2dmp s PHE 37 N -5.68 3.51 0.75 4.77 0.40 -1.26 -4.89 117.98 115.58 2dmp s PHE 37 Ca -0.10 -2.22 -0.11 0.00 -0.60 0.00 0.00 56.93 53.89 2dmp s PHE 37 Cb 0.30 -3.05 0.05 0.00 0.51 0.00 0.00 43.02 40.83 2dmp s PHE 37 CO 0.79 -0.94 1.10 -1.25 0.70 0.00 0.00 175.22 175.62 2dmp s PRO 38 N 1.20 2.35 0.23 0.24 0.04 -1.23 -5.06 135.00 132.76 2dmp s PRO 38 Ca 0.06 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.37 2dmp s PRO 38 Cb -0.22 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2dmp s PRO 38 CO -0.03 -1.58 0.21 -0.08 0.04 0.00 0.00 177.00 175.56 2dmp s THR 39 N -2.80 4.60 0.08 1.26 -1.32 -1.26 -4.87 115.64 111.33 2dmp s THR 39 Ca 0.62 -1.27 -0.15 0.00 -1.21 0.00 0.00 61.69 59.68 2dmp s THR 39 Cb -0.18 -3.46 -0.03 0.00 -1.51 0.00 0.00 72.50 67.32 2dmp s THR 39 CO 0.53 -0.30 0.99 0.00 -2.21 0.00 0.00 174.62 173.64 2dmp n GLN 40 N -1.06 -0.21 -0.24 7.08 1.13 -1.26 0.34 117.38 123.15 2dmp n GLN 40 Ca -0.08 0.98 -0.04 0.00 -1.94 0.00 0.00 57.00 55.92 2dmp n GLN 40 Cb 0.57 -1.45 0.02 0.00 0.11 0.00 0.00 30.24 29.49 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 0.00 0.03 0.05 -1.58 0.00 -1.98 0.24 119.26 116.01 2dmp h ALA 41 Ca 0.08 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dmp h ALA 41 Cb 0.20 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dmp h ALA 41 CO -0.46 -0.65 -0.07 1.49 0.00 0.00 0.00 179.25 179.56 2dmp h GLU 42 N -0.12 -0.12 -0.95 0.00 4.81 -0.50 -2.46 114.58 115.23 2dmp h GLU 42 Ca 0.26 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.79 2dmp h GLU 42 Cb 0.56 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.82 2dmp h GLU 42 CO -0.74 -0.08 0.41 -0.07 -0.73 0.00 0.00 179.01 177.80 2dmp h LEU 43 N -0.13 0.25 -1.37 1.64 3.38 -0.75 0.85 115.31 119.19 2dmp h LEU 43 Ca -0.01 0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.36 2dmp h LEU 43 Cb 0.12 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2dmp h LEU 43 CO -0.02 -0.17 0.60 -0.78 0.09 0.00 0.00 178.44 178.16 2dmp h ASP 44 N 0.25 0.53 0.40 -0.43 1.82 -0.09 0.19 116.42 119.09 2dmp h ASP 44 Ca 0.66 0.05 -0.31 0.00 -0.39 0.00 0.00 57.03 57.04 2dmp h ASP 44 Cb 1.46 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 41.40 2dmp h ASP 44 CO -0.65 0.21 -1.71 -0.09 -1.61 0.00 0.00 179.24 175.39 2dmp h ARG 45 N 0.53 0.14 -0.07 0.28 9.65 0.97 -3.35 114.38 122.52 2dmp h ARG 45 Ca 0.49 -0.23 0.01 0.00 -1.10 0.00 0.00 59.98 59.15 2dmp h ARG 45 Cb 1.05 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2dmp h ARG 45 CO -0.22 0.87 0.01 -0.07 2.80 0.00 0.00 179.97 183.36 2dmp h LEU 46 N 0.04 -0.00 0.05 3.80 3.38 0.42 0.17 115.31 123.16 2dmp h LEU 46 Ca -0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2dmp h LEU 46 Cb 2.01 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2dmp h LEU 46 CO 0.10 0.01 -0.11 0.03 0.09 0.00 0.00 178.44 178.57 2dmp h ARG 47 N 0.04 -0.17 -0.47 1.13 3.08 -1.18 0.14 114.38 116.96 2dmp h ARG 47 Ca 0.03 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.18 2dmp h ARG 47 Cb 0.03 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 2dmp h ARG 47 CO -0.04 -0.11 0.00 -0.24 -1.07 0.00 0.00 179.97 178.51 2dmp h VAL 48 N -0.17 0.64 0.05 2.04 3.04 -1.68 1.42 116.25 121.59 2dmp h VAL 48 Ca -0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2dmp h VAL 48 Cb 0.16 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 2dmp h VAL 48 CO -0.05 0.02 -0.32 -0.33 -1.01 0.00 0.00 177.57 175.88 2dmp h GLU 49 N 0.11 -0.42 0.00 4.17 4.39 -0.44 -0.66 114.58 121.73 2dmp h GLU 49 Ca 0.23 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2dmp h GLU 49 Cb 0.34 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2dmp h GLU 49 CO -0.39 -0.28 0.00 0.25 -1.16 0.00 0.00 179.01 177.43 2dmp n THR 50 N -4.27 0.28 -3.34 1.13 -2.24 0.48 -4.89 114.28 101.43 2dmp n THR 50 Ca -0.05 0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.63 2dmp n THR 50 Cb 0.25 -0.70 0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -6.27 -4.24 -0.78 4.76 0.45 -4.90 118.16 105.91 2dmp n LYS 51 Ca 0.11 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.18 2dmp n LYS 51 Cb 0.18 -5.55 -0.10 0.00 -1.84 0.00 0.00 35.03 27.71 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 -6.11 1.55 0.26 -0.35 1.43 0.79 -4.98 118.68 111.27 2dmp s LEU 52 Ca 0.12 -1.33 -0.19 0.00 -1.03 0.00 0.00 54.13 51.70 2dmp s LEU 52 Cb -0.05 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.26 2dmp s LEU 52 CO 0.66 -0.75 0.74 -0.44 0.23 0.00 0.00 176.35 176.80 2dmp s SER 53 N -3.20 6.99 0.51 2.29 0.01 -1.26 -4.26 113.70 114.77 2dmp s SER 53 Ca 0.34 1.40 0.30 0.00 1.31 0.00 0.00 55.95 59.30 2dmp s SER 53 Cb 0.07 -2.42 1.41 0.00 0.21 0.00 0.00 66.02 65.30 2dmp s SER 53 CO 0.10 -0.05 1.84 0.08 0.41 0.00 0.00 173.24 175.62 2dmp h ARG 54 N 3.05 0.10 -0.16 12.44 -0.00 -1.95 0.93 114.38 128.78 2dmp h ARG 54 Ca -0.48 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 59.44 2dmp h ARG 54 Cb 1.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2dmp h ARG 54 CO 0.65 0.07 -0.11 -0.09 -0.00 0.00 0.00 179.97 180.49 2dmp h ARG 55 N 0.10 0.36 -0.95 0.08 2.43 -2.00 -1.99 114.38 112.41 2dmp h ARG 55 Ca 0.50 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 2dmp h ARG 55 Cb 1.81 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.29 2dmp h ARG 55 CO -0.07 0.70 0.60 0.93 -1.51 0.00 0.00 179.97 180.62 2dmp h GLU 56 N 0.02 1.04 -0.37 0.20 4.39 -1.21 -2.12 114.58 116.53 2dmp h GLU 56 Ca 0.03 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 2dmp h GLU 56 Cb 0.61 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2dmp h GLU 56 CO 0.03 0.69 -0.19 0.82 -1.16 0.00 0.00 179.01 179.20 2dmp h ILE 57 N 1.07 1.28 -0.42 3.13 2.04 -1.39 -3.10 117.51 120.13 2dmp h ILE 57 Ca 0.42 -1.32 0.09 0.00 1.00 0.00 0.00 64.86 65.05 2dmp h ILE 57 Cb 0.22 1.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 2dmp h ILE 57 CO -0.19 0.44 -0.21 -0.78 0.00 0.00 0.00 178.15 177.40 2dmp h ASP 58 N 0.57 -0.73 -0.70 1.72 3.58 -0.68 0.45 116.42 120.62 2dmp h ASP 58 Ca 0.08 0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.77 2dmp h ASP 58 Cb 0.74 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 42.12 2dmp h ASP 58 CO 0.06 -0.24 0.38 0.77 -2.88 0.00 0.00 179.24 177.32 2dmp h SER 59 N -0.13 0.54 -0.25 2.28 4.64 -1.49 -0.11 113.55 119.03 2dmp h SER 59 Ca 0.20 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2dmp h SER 59 Cb 0.45 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2dmp h SER 59 CO -0.51 0.33 0.15 -0.25 -0.87 0.00 0.00 176.83 175.69 2dmp h TRP 60 N 0.68 0.33 0.91 4.77 7.01 -1.07 -2.46 115.95 126.13 2dmp h TRP 60 Ca 0.33 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 2dmp h TRP 60 Cb 0.26 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.22 2dmp h TRP 60 CO -0.08 0.25 -0.44 0.74 -2.79 0.00 0.00 178.44 176.11 2dmp h PHE 61 N 0.32 -1.14 -0.88 2.65 -1.00 -0.36 -1.60 116.94 114.93 2dmp h PHE 61 Ca 0.09 -0.03 0.13 0.00 2.81 0.00 0.00 57.97 60.97 2dmp h PHE 61 Cb 0.01 0.38 -0.14 0.00 3.61 0.00 0.00 35.95 39.81 2dmp h PHE 61 CO -0.05 -0.71 -0.42 0.77 -1.61 0.00 0.00 178.31 176.30 2dmp h SER 62 N -1.28 -1.51 -0.99 2.17 0.02 -1.03 0.56 113.55 111.48 2dmp h SER 62 Ca -0.13 0.29 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 2dmp h SER 62 Cb 0.94 0.75 -0.06 0.00 0.14 0.00 0.00 62.40 64.17 2dmp h SER 62 CO 0.21 -0.29 0.64 -0.33 -1.14 0.00 0.00 176.83 175.92 2dmp h GLU 63 N -0.06 1.15 -0.88 3.45 3.07 -1.40 -2.01 114.58 117.89 2dmp h GLU 63 Ca 0.28 -0.07 0.20 0.00 -0.50 0.00 0.00 59.36 59.27 2dmp h GLU 63 Cb 0.56 -0.26 -0.12 0.00 -0.84 0.00 0.00 28.75 28.09 2dmp h GLU 63 CO -0.89 0.76 0.39 -0.09 -1.40 0.00 0.00 179.01 177.78 2dmp h ARG 64 N 1.18 0.42 -0.85 2.33 9.65 0.12 0.28 114.38 127.51 2dmp h ARG 64 Ca 0.42 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.30 2dmp h ARG 64 Cb 0.13 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 2dmp h ARG 64 CO -0.16 0.28 0.56 0.00 2.80 0.00 0.00 179.97 183.44 2dmp h ARG 65 N 0.43 1.05 0.64 0.20 3.08 -0.96 -0.73 114.38 118.09 2dmp h ARG 65 Ca 0.54 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 2dmp h ARG 65 Cb 0.98 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.80 2dmp h ARG 65 CO -0.50 0.69 -0.31 0.87 -1.07 0.00 0.00 179.97 179.65 2dmp h LYS 66 N 1.08 -0.83 -0.95 0.04 6.56 -0.48 0.16 116.57 122.14 2dmp h LYS 66 Ca 0.33 0.06 0.18 0.00 -1.06 0.00 0.00 60.65 60.15 2dmp h LYS 66 Cb -0.01 0.19 -0.08 0.00 -0.57 0.00 0.00 32.23 31.75 2dmp h LYS 66 CO -0.09 -0.56 0.60 1.37 -2.06 0.00 0.00 179.45 178.72 2dmp h LEU 67 N -0.98 0.65 -0.43 2.94 8.10 -1.35 0.21 115.31 124.45 2dmp h LEU 67 Ca -0.09 0.06 -0.15 0.00 0.11 0.00 0.00 57.88 57.81 2dmp h LEU 67 Cb 0.66 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 2dmp h LEU 67 CO 0.15 0.28 -0.32 -0.09 -4.11 0.00 0.00 178.44 174.34 2dmp h ARG 68 N 0.66 0.97 -0.34 0.17 2.43 -1.03 -3.17 114.38 114.06 2dmp h ARG 68 Ca 0.50 -0.47 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2dmp h ARG 68 Cb 0.90 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2dmp h ARG 68 CO -0.26 1.14 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.66 2dmp h ASP 69 N 0.81 0.80 -4.08 -3.80 3.32 0.13 -3.44 116.42 110.15 2dmp h ASP 69 Ca 0.08 -0.43 -0.55 0.00 0.02 0.00 0.00 57.03 56.14 2dmp h ASP 69 Cb 0.91 -0.22 0.15 0.00 0.22 0.00 0.00 39.33 40.39 2dmp h ASP 69 CO 0.08 1.06 0.57 -0.55 -1.72 0.00 0.00 179.24 178.68 2dmp s SER 70 N -6.53 4.95 -0.99 6.45 0.15 0.53 -3.00 113.70 115.25 2dmp s SER 70 Ca -0.12 2.71 -0.06 0.00 0.70 0.00 0.00 55.95 59.18 2dmp s SER 70 Cb 0.10 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2dmp s SER 70 CO 0.83 -1.78 0.79 0.80 1.20 0.00 0.00 173.24 175.08 2dmp n MET 71 N -1.44 -5.41 -1.05 5.44 0.00 -1.26 -4.94 117.12 108.47 2dmp n MET 71 Ca 0.13 0.60 -0.29 0.00 -0.00 0.00 0.00 57.70 58.14 2dmp n MET 71 Cb 0.46 -4.93 0.17 0.00 0.00 0.00 0.00 33.22 28.92 2dmp n MET 71 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2dmp s GLU 72 N -5.86 0.71 0.20 2.12 2.56 -1.16 -4.97 118.70 112.30 2dmp s GLU 72 Ca 0.39 0.83 -0.30 0.00 0.00 0.00 0.00 54.97 55.89 2dmp s GLU 72 Cb -0.17 -1.74 -0.08 0.00 2.00 0.00 0.00 34.13 34.13 2dmp s GLU 72 CO 0.49 -2.62 1.22 1.14 -0.56 0.00 0.00 175.26 174.93 2dmp s GLN 73 N -4.84 4.47 0.23 4.30 -2.07 -1.26 -5.00 119.66 115.49 2dmp s GLN 73 Ca 0.65 1.92 -0.21 0.00 -1.82 0.00 0.00 55.36 55.90 2dmp s GLN 73 Cb -0.20 -3.22 0.07 0.00 -1.09 0.00 0.00 33.01 28.57 2dmp s GLN 73 CO 0.58 -0.12 0.96 0.00 -1.32 0.00 0.00 175.29 175.40 2dmp s ALA 74 N -0.09 -1.39 -0.06 2.60 0.00 -1.26 -5.15 121.76 116.41 2dmp s ALA 74 Ca 0.53 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 2dmp s ALA 74 Cb -0.34 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2dmp s ALA 74 CO 0.38 -1.04 0.56 0.08 0.00 0.00 0.00 175.76 175.74 2dmp s VAL 75 N -2.42 5.05 -0.01 0.00 1.01 -1.26 -5.07 120.40 117.70 2dmp s VAL 75 Ca 0.19 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 2dmp s VAL 75 Cb -0.03 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2dmp s VAL 75 CO 0.06 0.36 0.31 -0.76 0.00 0.00 0.00 175.10 175.07 2dmp s LEU 76 N 0.28 0.85 0.73 3.92 1.02 -1.26 -5.16 118.68 119.05 2dmp s LEU 76 Ca 0.30 0.08 -0.11 0.00 0.02 0.00 0.00 54.13 54.42 2dmp s LEU 76 Cb -0.17 1.27 0.03 0.00 0.02 0.00 0.00 46.19 47.34 2dmp s LEU 76 CO 0.15 -0.45 1.07 1.51 0.02 0.00 0.00 176.35 178.65 2dmp s ASP 77 N -1.35 5.09 -0.11 2.29 -4.77 -1.26 -4.96 116.67 111.60 2dmp s ASP 77 Ca -0.13 1.50 -0.29 0.00 -3.30 0.00 0.00 52.55 50.32 2dmp s ASP 77 Cb -0.05 -2.33 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 2dmp s ASP 77 CO 0.04 -1.61 1.55 -0.55 0.70 0.00 0.00 175.17 175.30 2dmp s SER 78 N -3.85 6.70 -0.02 2.11 0.15 -1.26 -5.00 113.70 112.53 2dmp s SER 78 Ca 0.59 2.01 0.05 0.00 0.70 0.00 0.00 55.95 59.29 2dmp s SER 78 Cb -0.14 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 2dmp s SER 78 CO 0.55 -0.93 -0.15 0.00 1.20 0.00 0.00 173.24 173.90 2dmp s MET 79 N 3.99 2.38 7.43 5.44 0.23 -1.26 -5.02 119.30 132.49 2dmp s MET 79 Ca 0.68 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 2dmp s MET 79 Cb -0.29 -2.32 0.00 0.00 -1.53 0.00 0.00 34.83 30.69 2dmp s MET 79 CO 0.26 0.60 0.00 0.41 -2.03 0.00 0.00 175.02 174.25 2dmp n GLY 80 N 2.07 3.54 3.15 3.16 0.00 -1.26 -4.74 105.19 111.10 2dmp n GLY 80 Ca -0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2dmp n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmp s SER 81 N -4.00 -0.12 0.00 1.61 1.04 -1.26 -5.00 113.70 105.97 2dmp s SER 81 Ca 0.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2dmp s SER 81 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2dmp s SER 81 CO 0.00 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2dmp n GLY 82 N 1.86 0.83 0.46 7.32 0.00 -1.26 -4.95 105.19 109.45 2dmp n GLY 82 Ca -0.19 -0.69 0.33 0.00 0.00 0.00 0.00 46.02 45.46 2dmp n GLY 82 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dmp h LYS 83 N 0.00 0.16 -7.22 1.61 2.10 -1.94 -3.40 116.57 107.88 2dmp h LYS 83 Ca 0.00 -0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 58.16 2dmp h LYS 83 Cb 0.20 -0.04 0.20 0.00 -0.90 0.00 0.00 32.23 31.69 2dmp h LYS 83 CO 0.00 0.11 0.13 -1.54 -2.00 0.00 0.00 179.45 176.15 2dmp s SER 84 N -4.75 2.11 0.00 7.07 1.04 -1.26 -5.01 113.70 112.89 2dmp s SER 84 Ca -0.08 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2dmp s SER 84 Cb 0.28 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2dmp s SER 84 CO 0.82 -3.54 0.00 0.61 0.98 0.00 0.00 173.24 172.11 2dmp n GLY 85 N 0.25 -0.16 3.65 7.32 0.00 -1.26 -5.15 105.19 109.84 2dmp n GLY 85 Ca 0.07 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.11 -0.08 1.61 0.04 -1.26 -5.08 135.00 130.12 2dmp s PRO 86 Ca 0.00 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 61.34 2dmp s PRO 86 Cb 0.00 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.89 2dmp s PRO 86 CO 0.00 -3.06 0.17 -1.54 0.04 0.00 0.00 177.00 172.61 2dmp s SER 87 N -3.57 -0.00 0.26 6.66 1.04 -1.26 -5.04 113.70 111.78 2dmp s SER 87 Ca 0.67 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 57.42 2dmp s SER 87 Cb -0.16 0.24 0.53 0.00 0.10 0.00 0.00 66.02 66.73 2dmp s SER 87 CO 0.57 -0.17 1.72 0.77 0.98 0.00 0.00 173.24 177.11 2dmp h SER 88 N 7.42 0.27 0.00 7.02 4.64 -2.10 -3.58 113.55 127.22 2dmp h SER 88 Ca -0.38 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2dmp h SER 88 Cb 1.14 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dmp h SER 88 CO 0.37 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.01