#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 -0.61 0.11 1.61 1.04 -1.26 -5.18 113.70 109.42 2dmp s SER 2 Ca 0.00 0.30 -0.26 0.00 0.48 0.00 0.00 55.95 56.47 2dmp s SER 2 Cb 0.00 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.77 2dmp s SER 2 CO 0.00 -0.82 0.86 -0.94 0.98 0.00 0.00 173.24 173.32 2dmp s SER 3 N -2.10 -0.30 0.00 7.02 1.04 -1.26 -5.15 113.70 112.95 2dmp s SER 3 Ca -0.04 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2dmp s SER 3 Cb -0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2dmp s SER 3 CO -0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2dmp n GLY 4 N -0.38 1.55 3.60 7.32 0.00 -1.26 -5.17 105.19 110.85 2dmp n GLY 4 Ca -0.08 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2dmp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmp s SER 5 N 0.00 4.41 -0.15 1.61 0.15 -1.26 -5.13 113.70 113.34 2dmp s SER 5 Ca 0.00 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.04 2dmp s SER 5 Cb 0.00 -0.80 0.07 0.00 -1.71 0.00 0.00 66.02 63.58 2dmp s SER 5 CO 0.00 0.08 0.30 -0.94 1.20 0.00 0.00 173.24 173.88 2dmp s SER 6 N -3.02 0.13 -0.03 5.45 1.04 -1.26 -5.15 113.70 110.86 2dmp s SER 6 Ca 0.27 0.70 0.07 0.00 0.48 0.00 0.00 55.95 57.46 2dmp s SER 6 Cb -0.08 0.84 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 2dmp s SER 6 CO 0.17 -0.23 -0.25 -0.83 0.98 0.00 0.00 173.24 173.08 2dmp s GLY 7 N 2.35 1.25 0.09 7.32 0.00 -1.26 -5.13 107.32 111.94 2dmp s GLY 7 Ca -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.70 2dmp s GLY 7 CO -0.10 -0.80 -0.14 0.00 0.00 0.00 0.00 173.10 172.06 2dmp s ALA 8 N -0.43 1.31 0.12 3.20 0.00 -1.26 -5.16 121.76 119.53 2dmp s ALA 8 Ca 0.05 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.91 2dmp s ALA 8 Cb -0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2dmp s ALA 8 CO 0.01 0.13 -0.10 0.71 0.00 0.00 0.00 175.76 176.50 2dmp s TYR 9 N -1.71 1.17 -2.00 0.00 2.02 -1.26 -5.02 117.35 110.54 2dmp s TYR 9 Ca 0.03 -0.68 0.13 0.00 -0.37 0.00 0.00 57.07 56.18 2dmp s TYR 9 Cb -0.07 -0.62 0.81 0.00 -0.40 0.00 0.00 41.96 41.67 2dmp s TYR 9 CO 0.02 0.04 1.23 -0.35 -1.57 0.00 0.00 175.55 174.92 2dmp n PRO 10 N 0.29 0.49 -4.66 -1.71 -0.04 -1.26 -4.67 135.00 123.44 2dmp n PRO 10 Ca -0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.05 2dmp n PRO 10 Cb 0.59 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 2dmp n PRO 10 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dmp s ASP 11 N -1.93 2.68 -0.06 3.54 1.47 -1.26 -5.14 116.67 115.96 2dmp s ASP 11 Ca 0.20 -0.56 -0.01 0.00 1.18 0.00 0.00 52.55 53.36 2dmp s ASP 11 Cb 0.09 -0.22 -0.03 0.00 -0.34 0.00 0.00 42.92 42.42 2dmp s ASP 11 CO 0.16 0.17 0.01 0.72 0.68 0.00 0.00 175.17 176.91 2dmp s PHE 12 N -0.85 3.17 0.72 2.11 -0.71 -1.26 -5.11 117.98 116.05 2dmp s PHE 12 Ca 0.09 0.18 -0.12 0.00 -1.04 0.00 0.00 56.93 56.05 2dmp s PHE 12 Cb -0.09 -1.77 0.02 0.00 -1.21 0.00 0.00 43.02 39.98 2dmp s PHE 12 CO 0.02 0.48 1.11 0.00 -1.34 0.00 0.00 175.22 175.49 2dmp s ALA 13 N -0.96 2.84 1.00 1.99 0.00 -1.26 -5.06 121.76 120.32 2dmp s ALA 13 Ca 0.15 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2dmp s ALA 13 Cb -0.11 -3.02 0.19 0.00 0.00 0.00 0.00 23.12 20.17 2dmp s ALA 13 CO 0.05 -1.22 1.09 -1.25 0.00 0.00 0.00 175.76 174.43 2dmp s PRO 14 N -5.38 0.40 0.78 0.00 0.04 -1.26 -5.03 135.00 124.55 2dmp s PRO 14 Ca 0.59 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 2dmp s PRO 14 Cb -0.11 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.75 2dmp s PRO 14 CO 0.52 -2.75 1.09 1.14 0.04 0.00 0.00 177.00 177.03 2dmp s GLN 15 N -4.97 2.24 -0.25 4.56 0.00 -1.26 -5.07 119.66 114.92 2dmp s GLN 15 Ca 0.65 0.78 -0.03 0.00 -0.00 0.00 0.00 55.36 56.77 2dmp s GLN 15 Cb -0.19 -1.92 0.11 0.00 0.00 0.00 0.00 33.01 31.01 2dmp s GLN 15 CO 0.58 -1.54 0.22 0.21 0.00 0.00 0.00 175.29 174.75 2dmp s LYS 16 N -5.08 0.23 0.12 9.60 2.20 -1.26 -5.14 119.74 120.41 2dmp s LYS 16 Ca 0.60 -0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.93 2dmp s LYS 16 Cb -0.15 -1.02 -0.07 0.00 -1.51 0.00 0.00 37.83 35.08 2dmp s LYS 16 CO 0.55 -0.87 0.61 -0.59 -0.36 0.00 0.00 175.35 174.69 2dmp s PHE 17 N 2.28 3.76 0.19 4.03 -0.12 -1.26 -5.08 117.98 121.79 2dmp s PHE 17 Ca 0.08 1.30 -0.05 0.00 -0.05 0.00 0.00 56.93 58.21 2dmp s PHE 17 Cb -0.15 -2.53 -0.03 0.00 -0.63 0.00 0.00 43.02 39.69 2dmp s PHE 17 CO -0.25 0.52 0.22 0.15 -0.05 0.00 0.00 175.22 175.81 2dmp s LYS 18 N -1.39 1.23 -0.20 1.99 -0.14 -1.26 -5.15 119.74 114.82 2dmp s LYS 18 Ca 0.33 -1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 53.50 2dmp s LYS 18 Cb -0.19 0.33 0.01 0.00 -1.68 0.00 0.00 37.83 36.30 2dmp s LYS 18 CO 0.20 -0.43 -0.13 -1.21 -0.76 0.00 0.00 175.35 173.02 2dmp s GLU 19 N -4.08 3.14 0.28 1.68 8.01 -1.26 -5.12 118.70 121.36 2dmp s GLU 19 Ca 0.29 -0.75 -0.02 0.00 0.01 0.00 0.00 54.97 54.50 2dmp s GLU 19 Cb 0.05 -2.77 -0.04 0.00 -4.31 0.00 0.00 34.13 27.06 2dmp s GLU 19 CO 0.08 -0.21 0.49 0.15 0.01 0.00 0.00 175.26 175.78 2dmp s LYS 20 N 1.37 3.55 0.71 1.61 1.02 -1.26 -5.08 119.74 121.66 2dmp s LYS 20 Ca 0.05 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.69 2dmp s LYS 20 Cb -0.14 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2dmp s LYS 20 CO -0.09 0.26 1.09 0.95 -0.92 0.00 0.00 175.35 176.64 2dmp s THR 21 N -2.08 3.43 0.24 2.17 -4.23 -1.26 -4.79 115.64 109.12 2dmp s THR 21 Ca 0.41 0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 61.40 2dmp s THR 21 Cb -0.10 -3.08 0.26 0.00 1.34 0.00 0.00 72.50 70.92 2dmp s THR 21 CO 0.31 -0.53 1.65 0.06 -0.54 0.00 0.00 174.62 175.57 2dmp h GLN 22 N -0.58 0.14 0.07 3.99 3.07 -1.99 -1.56 115.11 118.24 2dmp h GLN 22 Ca -0.45 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.28 2dmp h GLN 22 Cb 1.23 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.76 2dmp h GLN 22 CO 0.53 0.09 -0.04 0.78 0.09 0.00 0.00 178.83 180.29 2dmp h GLY 23 N 0.15 -0.42 -1.00 0.06 0.00 -1.99 -0.15 103.07 99.72 2dmp h GLY 23 Ca 0.41 0.18 0.17 0.00 0.00 0.00 0.00 47.33 48.09 2dmp h GLY 23 CO -0.61 -0.15 -0.33 1.46 0.00 0.00 0.00 176.54 176.91 2dmp h GLN 24 N -0.10 -0.00 -0.93 4.80 4.20 -1.85 0.88 115.11 122.09 2dmp h GLN 24 Ca -0.01 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.76 2dmp h GLN 24 Cb 0.08 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2dmp h GLN 24 CO 0.01 -0.00 0.59 0.28 -0.67 0.00 0.00 178.83 179.04 2dmp h VAL 25 N -0.00 1.07 -1.00 -0.54 2.07 -1.22 -1.64 116.25 114.99 2dmp h VAL 25 Ca 0.41 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2dmp h VAL 25 Cb 0.66 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2dmp h VAL 25 CO -1.01 0.20 0.66 0.50 0.02 0.00 0.00 177.57 177.94 2dmp h LYS 26 N 1.09 1.28 -0.46 1.57 3.11 0.27 0.23 116.57 123.66 2dmp h LYS 26 Ca 0.40 -0.08 -0.08 0.00 -2.81 0.00 0.00 60.65 58.09 2dmp h LYS 26 Cb 0.15 -0.29 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 2dmp h LYS 26 CO -0.17 0.85 -0.04 0.82 -2.81 0.00 0.00 179.45 178.10 2dmp h ILE 27 N 1.32 1.25 0.19 2.00 2.04 -0.31 -2.79 117.51 121.21 2dmp h ILE 27 Ca 0.38 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2dmp h ILE 27 Cb -0.09 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2dmp h ILE 27 CO -0.10 0.37 -0.09 -0.07 0.00 0.00 0.00 178.15 178.26 2dmp h LEU 28 N 0.72 -0.22 -0.99 1.44 3.38 -0.85 -3.11 115.31 115.68 2dmp h LEU 28 Ca 0.14 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.15 2dmp h LEU 28 Cb 0.49 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 2dmp h LEU 28 CO 0.03 0.29 -0.36 -0.62 0.09 0.00 0.00 178.44 177.87 2dmp n GLU 29 N -4.94 -0.20 -0.30 1.13 1.02 0.75 0.10 120.64 118.20 2dmp n GLU 29 Ca -0.05 1.54 0.02 0.00 -0.02 0.00 0.00 57.16 58.65 2dmp n GLU 29 Cb 0.16 -2.28 0.16 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 0.73 -0.05 1.62 3.58 -1.62 0.47 116.42 121.16 2dmp h ASP 30 Ca 0.37 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.77 2dmp h ASP 30 Cb 0.62 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2dmp h ASP 30 CO -0.99 0.43 -0.24 -1.28 -2.88 0.00 0.00 179.24 174.27 2dmp h SER 31 N 0.85 0.46 0.03 2.28 0.87 0.74 -2.54 113.55 116.24 2dmp h SER 31 Ca 0.39 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2dmp h SER 31 Cb 0.31 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2dmp h SER 31 CO -0.22 0.71 -0.01 0.15 -0.53 0.00 0.00 176.83 176.92 2dmp h PHE 32 N 0.41 -0.04 -1.51 2.24 3.04 0.76 -0.88 116.94 120.97 2dmp h PHE 32 Ca 0.06 -0.00 0.48 0.00 3.98 0.00 0.00 57.97 62.49 2dmp h PHE 32 Cb 0.65 0.01 -0.11 0.00 2.56 0.00 0.00 35.95 39.06 2dmp h PHE 32 CO 0.02 -0.02 1.02 -0.07 -2.02 0.00 0.00 178.31 177.24 2dmp h LEU 33 N -0.34 0.15 0.15 0.59 3.38 -0.23 1.14 115.31 120.15 2dmp h LEU 33 Ca -0.00 0.10 -0.32 0.00 0.09 0.00 0.00 57.88 57.75 2dmp h LEU 33 Cb 0.03 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2dmp h LEU 33 CO 0.01 -0.15 -1.57 0.07 0.09 0.00 0.00 178.44 176.89 2dmp h LYS 34 N 0.04 0.32 -1.25 1.13 2.10 -1.56 -3.45 116.57 113.89 2dmp h LYS 34 Ca 0.86 -0.54 -0.01 0.00 -2.00 0.00 0.00 60.65 58.96 2dmp h LYS 34 Cb 2.96 0.20 -0.24 0.00 -0.90 0.00 0.00 32.23 34.26 2dmp h LYS 34 CO -0.30 1.20 -0.37 0.45 -2.00 0.00 0.00 179.45 178.43 2dmp s SER 35 N -7.13 -0.93 0.26 7.07 0.15 0.39 -5.03 113.70 108.47 2dmp s SER 35 Ca -0.11 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 2dmp s SER 35 Cb 0.06 1.80 0.53 0.00 -1.71 0.00 0.00 66.02 66.70 2dmp s SER 35 CO 0.86 -0.29 1.66 0.77 1.20 0.00 0.00 173.24 177.45 2dmp h SER 36 N 8.05 -0.07 -3.31 5.45 4.64 -1.62 -3.31 113.55 123.39 2dmp h SER 36 Ca -0.14 0.17 -0.73 0.00 -0.47 0.00 0.00 61.79 60.62 2dmp h SER 36 Cb 1.16 0.25 -0.28 0.00 -0.31 0.00 0.00 62.40 63.22 2dmp h SER 36 CO 0.23 -0.10 -0.38 -0.36 -0.87 0.00 0.00 176.83 175.35 2dmp s PHE 37 N -6.03 3.36 0.50 4.77 0.40 -1.26 -4.85 117.98 114.87 2dmp s PHE 37 Ca -0.13 -1.60 -0.21 0.00 -0.60 0.00 0.00 56.93 54.39 2dmp s PHE 37 Cb 0.23 -3.36 -0.07 0.00 0.51 0.00 0.00 43.02 40.33 2dmp s PHE 37 CO 0.76 -0.94 1.15 -1.25 0.70 0.00 0.00 175.22 175.64 2dmp s PRO 38 N 1.44 3.54 0.39 0.24 0.04 -1.24 -5.04 135.00 134.37 2dmp s PRO 38 Ca 0.04 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 2dmp s PRO 38 Cb -0.26 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2dmp s PRO 38 CO 0.01 -0.71 0.69 -0.08 0.04 0.00 0.00 177.00 176.96 2dmp s THR 39 N -1.67 4.92 0.29 1.26 -1.32 -1.26 -4.80 115.64 113.07 2dmp s THR 39 Ca 0.68 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 2dmp s THR 39 Cb -0.26 -3.79 0.35 0.00 -1.51 0.00 0.00 72.50 67.29 2dmp s THR 39 CO 0.30 -0.58 1.61 1.56 -2.21 0.00 0.00 174.62 175.31 2dmp h GLN 40 N 0.99 0.09 -0.05 7.08 1.08 -1.99 0.24 115.11 122.55 2dmp h GLN 40 Ca -0.47 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 56.74 2dmp h GLN 40 Cb 1.20 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 2dmp h GLN 40 CO 0.63 0.06 -0.06 0.00 -0.95 0.00 0.00 178.83 178.52 2dmp h ALA 41 N 1.86 -0.02 0.66 3.87 0.00 -2.00 -1.86 119.26 121.77 2dmp h ALA 41 Ca 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2dmp h ALA 41 Cb 1.11 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2dmp h ALA 41 CO -0.78 -0.53 -0.32 1.49 0.00 0.00 0.00 179.25 179.11 2dmp h GLU 42 N -0.08 -0.85 -0.98 0.00 4.57 -1.00 -3.12 114.58 113.12 2dmp h GLU 42 Ca 0.04 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 2dmp h GLU 42 Cb 0.13 0.19 -0.13 0.00 -0.16 0.00 0.00 28.75 28.79 2dmp h GLU 42 CO -0.09 -0.57 -0.52 1.28 -1.18 0.00 0.00 179.01 177.92 2dmp n LEU 43 N -4.49 -0.93 -0.32 1.64 4.77 0.09 0.99 117.00 118.76 2dmp n LEU 43 Ca -0.11 1.73 0.28 0.00 -0.03 0.00 0.00 56.01 57.88 2dmp n LEU 43 Cb 0.35 -0.27 0.53 0.00 -2.33 0.00 0.00 43.42 41.71 2dmp n LEU 43 CO 0.26 -1.45 1.05 -0.78 -1.33 0.00 0.00 177.39 175.15 2dmp h ASP 44 N 0.00 0.29 0.68 -1.43 1.82 -1.34 1.37 116.42 117.81 2dmp h ASP 44 Ca 0.20 0.25 -0.23 0.00 -0.39 0.00 0.00 57.03 56.86 2dmp h ASP 44 Cb 0.45 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2dmp h ASP 44 CO -0.93 -0.36 -1.05 -0.09 -1.61 0.00 0.00 179.24 175.20 2dmp h ARG 45 N 0.07 0.19 -0.04 0.28 2.43 0.70 -3.19 114.38 114.82 2dmp h ARG 45 Ca 0.80 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2dmp h ARG 45 Cb 2.02 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.66 2dmp h ARG 45 CO -0.75 1.07 0.01 -0.07 -1.51 0.00 0.00 179.97 178.73 2dmp h LEU 46 N 0.08 0.06 0.38 3.80 3.38 0.38 0.01 115.31 123.40 2dmp h LEU 46 Ca -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2dmp h LEU 46 Cb 1.75 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 2dmp h LEU 46 CO 0.16 0.27 -0.44 0.03 0.09 0.00 0.00 178.44 178.55 2dmp h ARG 47 N -0.15 -0.81 -0.37 1.13 3.08 -0.90 0.26 114.38 116.63 2dmp h ARG 47 Ca 0.01 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.18 2dmp h ARG 47 Cb 0.23 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 2dmp h ARG 47 CO 0.00 -0.54 0.04 -0.24 -1.07 0.00 0.00 179.97 178.17 2dmp h VAL 48 N -0.84 0.78 0.35 2.04 3.04 -1.60 1.86 116.25 121.88 2dmp h VAL 48 Ca -0.05 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 2dmp h VAL 48 Cb 0.74 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2dmp h VAL 48 CO -0.08 0.03 -0.32 -0.33 -1.01 0.00 0.00 177.57 175.86 2dmp h GLU 49 N 0.16 -0.63 0.00 4.17 5.08 -0.76 -2.01 114.58 120.58 2dmp h GLU 49 Ca 0.18 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2dmp h GLU 49 Cb 0.22 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dmp h GLU 49 CO -0.26 -0.42 0.00 0.25 -1.00 0.00 0.00 179.01 177.58 2dmp n THR 50 N -4.30 0.46 -3.39 1.13 -2.24 0.90 -4.88 114.28 101.94 2dmp n THR 50 Ca -0.08 0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 2dmp n THR 50 Cb 0.30 -0.79 0.07 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.32 -6.62 -4.54 -0.78 4.76 0.58 -4.92 118.16 105.32 2dmp n LYS 51 Ca 0.08 0.75 -0.25 0.00 -2.87 0.00 0.00 58.31 56.02 2dmp n LYS 51 Cb 0.16 -5.51 -0.11 0.00 -1.84 0.00 0.00 35.03 27.74 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 -6.32 2.60 0.49 -0.35 1.43 0.16 -4.97 118.68 111.71 2dmp s LEU 52 Ca 0.31 -1.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.10 2dmp s LEU 52 Cb -0.14 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.40 2dmp s LEU 52 CO 0.65 -0.48 0.69 -0.44 0.23 0.00 0.00 176.35 176.99 2dmp s SER 53 N -3.61 5.45 0.18 2.29 0.01 -1.26 -4.35 113.70 112.42 2dmp s SER 53 Ca 0.35 -0.17 -0.15 0.00 1.31 0.00 0.00 55.95 57.29 2dmp s SER 53 Cb 0.09 -0.80 0.15 0.00 0.21 0.00 0.00 66.02 65.67 2dmp s SER 53 CO 0.17 -0.97 1.67 0.03 0.41 0.00 0.00 173.24 174.55 2dmp h ARG 54 N 0.32 0.06 0.11 12.44 2.47 -1.98 -2.18 114.38 125.62 2dmp h ARG 54 Ca -0.41 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 2dmp h ARG 54 Cb 1.29 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 2dmp h ARG 54 CO 0.49 0.04 -0.05 0.00 0.56 0.00 0.00 179.97 181.01 2dmp h ARG 55 N 0.06 -0.15 -0.96 0.04 3.08 -1.98 -1.45 114.38 113.02 2dmp h ARG 55 Ca 0.23 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.40 2dmp h ARG 55 Cb 0.35 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.31 2dmp h ARG 55 CO -0.43 -0.04 -0.52 0.39 -1.07 0.00 0.00 179.97 178.30 2dmp n GLU 56 N -5.13 -0.37 -0.03 0.04 -0.58 -0.85 -0.30 120.64 113.43 2dmp n GLU 56 Ca -0.08 1.46 -0.12 0.00 -0.42 0.00 0.00 57.16 58.01 2dmp n GLU 56 Cb 0.11 -2.16 -0.06 0.00 -0.57 0.00 0.00 31.44 28.76 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 1.18 -1.02 -3.67 2.04 -1.43 -2.50 117.51 112.12 2dmp h ILE 57 Ca 0.21 -0.56 0.28 0.00 1.00 0.00 0.00 64.86 65.78 2dmp h ILE 57 Cb 0.45 1.35 -0.13 0.00 -0.74 0.00 0.00 36.82 37.74 2dmp h ILE 57 CO -0.92 0.16 0.60 0.44 0.00 0.00 0.00 178.15 178.44 2dmp h ASP 58 N -0.01 0.59 -0.05 1.72 3.32 0.21 0.27 116.42 122.47 2dmp h ASP 58 Ca 0.04 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 2dmp h ASP 58 Cb 0.23 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2dmp h ASP 58 CO -0.00 0.03 -0.07 -1.28 -1.72 0.00 0.00 179.24 176.20 2dmp h SER 59 N 0.47 0.15 0.07 6.45 0.87 -0.42 -1.63 113.55 119.53 2dmp h SER 59 Ca 0.67 -0.51 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2dmp h SER 59 Cb 1.42 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.29 2dmp h SER 59 CO -0.49 0.64 -0.45 -0.25 -0.53 0.00 0.00 176.83 175.75 2dmp h TRP 60 N -0.32 -1.27 -0.48 2.24 7.01 -0.55 -2.21 115.95 120.37 2dmp h TRP 60 Ca 0.01 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.06 2dmp h TRP 60 Cb 0.60 0.55 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 2dmp h TRP 60 CO 0.10 -0.53 0.29 0.74 -2.79 0.00 0.00 178.44 176.25 2dmp h PHE 61 N -0.65 0.55 -0.80 2.65 -1.00 -1.31 0.23 116.94 116.61 2dmp h PHE 61 Ca 0.03 0.02 0.16 0.00 2.81 0.00 0.00 57.97 60.98 2dmp h PHE 61 Cb 0.69 -0.18 -0.15 0.00 3.61 0.00 0.00 35.95 39.92 2dmp h PHE 61 CO -0.41 0.32 -0.19 1.03 -1.61 0.00 0.00 178.31 177.45 2dmp h SER 62 N 0.58 -0.73 0.10 2.17 0.87 -0.76 0.25 113.55 116.04 2dmp h SER 62 Ca 0.19 0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.85 2dmp h SER 62 Cb -0.00 0.49 0.02 0.00 -0.44 0.00 0.00 62.40 62.46 2dmp h SER 62 CO -0.08 -0.26 -0.57 -0.33 -0.53 0.00 0.00 176.83 175.06 2dmp h GLU 63 N 0.00 0.22 -1.01 2.24 3.07 -1.10 -3.32 114.58 114.69 2dmp h GLU 63 Ca 0.39 -0.36 0.27 0.00 -0.50 0.00 0.00 59.36 59.15 2dmp h GLU 63 Cb 0.59 0.13 -0.13 0.00 -0.84 0.00 0.00 28.75 28.51 2dmp h GLU 63 CO -0.82 1.17 0.59 -0.09 -1.40 0.00 0.00 179.01 178.46 2dmp h ARG 64 N -0.53 0.48 -0.10 2.33 9.65 0.38 0.47 114.38 127.06 2dmp h ARG 64 Ca -0.10 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 2dmp h ARG 64 Cb 1.44 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 2dmp h ARG 64 CO 0.11 0.32 -0.05 0.00 2.80 0.00 0.00 179.97 183.15 2dmp h ARG 65 N 0.50 -0.04 -0.98 0.20 3.08 -0.63 -2.14 114.38 114.37 2dmp h ARG 65 Ca 0.67 0.00 0.30 0.00 0.07 0.00 0.00 59.98 61.02 2dmp h ARG 65 Cb 1.37 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.29 2dmp h ARG 65 CO -0.51 -0.03 0.50 0.87 -1.07 0.00 0.00 179.97 179.73 2dmp h LYS 66 N -0.04 0.32 0.68 0.04 6.56 -1.01 -0.35 116.57 122.76 2dmp h LYS 66 Ca 0.06 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.59 2dmp h LYS 66 Cb 0.13 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 31.72 2dmp h LYS 66 CO -0.12 0.21 -0.33 -0.07 -2.06 0.00 0.00 179.45 177.08 2dmp h LEU 67 N 0.33 -0.78 -0.53 2.94 3.38 -1.33 1.00 115.31 120.32 2dmp h LEU 67 Ca 0.69 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.77 2dmp h LEU 67 Cb 1.51 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.36 2dmp h LEU 67 CO -0.60 -0.52 -0.31 -0.09 0.09 0.00 0.00 178.44 177.01 2dmp h ARG 68 N -0.98 -0.17 -0.23 1.13 9.65 -0.93 -1.12 114.38 121.73 2dmp h ARG 68 Ca -0.09 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2dmp h ARG 68 Cb 0.72 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 2dmp h ARG 68 CO 0.15 -0.11 0.14 0.22 2.80 0.00 0.00 179.97 183.18 2dmp h ASP 69 N -0.17 0.28 -3.82 -3.80 3.58 -1.31 -3.44 116.42 107.74 2dmp h ASP 69 Ca 0.22 -0.04 -0.47 0.00 0.42 0.00 0.00 57.03 57.16 2dmp h ASP 69 Cb 0.53 -0.07 0.18 0.00 1.72 0.00 0.00 39.33 41.70 2dmp h ASP 69 CO -0.62 0.23 0.16 -0.55 -2.88 0.00 0.00 179.24 175.58 2dmp s SER 70 N -5.45 2.40 -1.25 2.28 0.15 0.34 -3.81 113.70 108.35 2dmp s SER 70 Ca -0.13 1.64 -0.07 0.00 0.70 0.00 0.00 55.95 58.08 2dmp s SER 70 Cb 0.09 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.12 2dmp s SER 70 CO 0.70 -3.33 1.09 0.23 1.20 0.00 0.00 173.24 173.12 2dmp n MET 71 N -4.35 -7.30 -1.25 5.44 2.81 -1.26 -4.89 117.12 106.32 2dmp n MET 71 Ca 0.06 0.78 -0.29 0.00 -1.81 0.00 0.00 57.70 56.45 2dmp n MET 71 Cb 0.54 -5.69 0.17 0.00 -0.71 0.00 0.00 33.22 27.53 2dmp n MET 71 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2dmp s GLU 72 N -6.07 0.57 -0.36 0.03 1.03 -1.25 -4.96 118.70 107.69 2dmp s GLU 72 Ca 0.45 0.46 -0.29 0.00 0.03 0.00 0.00 54.97 55.62 2dmp s GLU 72 Cb -0.20 -1.76 0.02 0.00 -0.80 0.00 0.00 34.13 31.39 2dmp s GLU 72 CO 0.69 -2.62 1.18 -1.14 -1.33 0.00 0.00 175.26 172.03 2dmp s GLN 73 N -5.04 3.90 -0.17 -4.83 0.74 -1.26 -4.90 119.66 108.09 2dmp s GLN 73 Ca 0.65 0.97 -0.23 0.00 0.05 0.00 0.00 55.36 56.80 2dmp s GLN 73 Cb -0.18 -3.84 -0.22 0.00 1.10 0.00 0.00 33.01 29.87 2dmp s GLN 73 CO 0.57 -1.14 0.43 0.00 -0.55 0.00 0.00 175.29 174.60 2dmp h ALA 74 N 8.90 0.17 -2.64 1.58 0.00 -2.05 -3.46 119.26 121.76 2dmp h ALA 74 Ca -0.23 -0.98 -0.49 0.00 0.00 0.00 0.00 54.91 53.21 2dmp h ALA 74 Cb 1.07 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2dmp h ALA 74 CO 1.06 0.50 0.41 0.54 0.00 0.00 0.00 179.25 181.76 2dmp s VAL 75 N -2.33 3.82 -0.13 0.00 0.11 -1.26 -5.05 120.40 115.56 2dmp s VAL 75 Ca -0.25 1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 60.44 2dmp s VAL 75 Cb 0.03 -3.98 0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2dmp s VAL 75 CO 0.64 0.25 -0.02 -0.22 -3.33 0.00 0.00 175.10 172.43 2dmp s LEU 76 N -1.82 1.08 0.23 2.54 1.98 -1.26 -5.11 118.68 116.32 2dmp s LEU 76 Ca 0.48 -0.41 -0.31 0.00 -2.89 0.00 0.00 54.13 51.00 2dmp s LEU 76 Cb -0.25 -0.68 -0.14 0.00 0.66 0.00 0.00 46.19 45.78 2dmp s LEU 76 CO 0.32 -0.19 1.37 0.47 -1.89 0.00 0.00 176.35 176.43 2dmp n ASP 77 N 5.02 2.56 -0.10 3.68 9.92 -1.26 -4.93 116.55 131.44 2dmp n ASP 77 Ca -0.10 1.14 -0.17 0.00 -0.53 0.00 0.00 54.79 55.13 2dmp n ASP 77 Cb 0.49 -1.40 -0.08 0.00 -0.64 0.00 0.00 41.12 39.49 2dmp n ASP 77 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2dmp n SER 78 N 2.14 1.86 -3.28 -2.24 2.88 -1.26 -5.00 113.62 108.71 2dmp n SER 78 Ca 0.12 0.47 -0.20 0.00 -1.33 0.00 0.00 58.87 57.93 2dmp n SER 78 Cb 0.30 -0.92 0.07 0.00 -0.75 0.00 0.00 64.21 62.92 2dmp n SER 78 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2dmp n MET 79 N -4.47 -6.98 0.00 -1.46 2.81 -1.26 -5.01 117.12 100.75 2dmp n MET 79 Ca -0.27 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 2dmp n MET 79 Cb 0.58 -5.56 0.00 0.00 -0.71 0.00 0.00 33.22 27.52 2dmp n MET 79 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dmp n GLY 80 N -1.71 3.17 3.77 3.03 0.00 -1.26 -5.06 105.19 107.13 2dmp n GLY 80 Ca -0.05 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.29 6.42 0.00 1.61 1.04 -1.26 -4.77 113.70 116.45 2dmp s SER 81 Ca 0.00 2.97 0.00 0.00 0.48 0.00 0.00 55.95 59.40 2dmp s SER 81 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2dmp s SER 81 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2dmp n GLY 82 N 0.76 -2.43 3.91 7.32 0.00 -1.26 -5.00 105.19 108.49 2dmp n GLY 82 Ca 0.02 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 2dmp n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmp s LYS 83 N -0.28 3.36 -0.05 1.61 2.20 -1.26 -5.08 119.74 120.23 2dmp s LYS 83 Ca 0.00 -0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 54.92 2dmp s LYS 83 Cb 0.00 -2.96 0.03 0.00 -1.51 0.00 0.00 37.83 33.39 2dmp s LYS 83 CO 0.00 0.56 0.31 0.45 -0.36 0.00 0.00 175.35 176.31 2dmp s SER 84 N -2.85 -0.24 -0.46 1.43 0.15 -1.26 -5.07 113.70 105.40 2dmp s SER 84 Ca 0.34 0.28 0.03 0.00 0.70 0.00 0.00 55.95 57.31 2dmp s SER 84 Cb -0.12 0.44 0.13 0.00 -1.71 0.00 0.00 66.02 64.76 2dmp s SER 84 CO 0.27 -0.32 0.22 -0.83 1.20 0.00 0.00 173.24 173.78 2dmp s GLY 85 N -0.77 2.04 0.33 9.45 0.00 -1.26 -5.10 107.32 112.00 2dmp s GLY 85 Ca -0.09 -2.86 -0.28 0.00 0.00 0.00 0.00 44.72 41.50 2dmp s GLY 85 CO 0.03 1.22 1.22 2.56 0.00 0.00 0.00 173.10 178.13 2dmp s PRO 86 N 0.19 4.38 -0.30 2.90 0.04 -1.26 -5.02 135.00 135.93 2dmp s PRO 86 Ca 0.16 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2dmp s PRO 86 Cb -0.24 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2dmp s PRO 86 CO -0.02 -0.10 0.18 -1.12 0.04 0.00 0.00 177.00 175.98 2dmp s SER 87 N -0.72 5.81 -0.14 6.66 0.01 -1.26 -4.98 113.70 119.08 2dmp s SER 87 Ca 0.49 -0.25 -0.14 0.00 1.31 0.00 0.00 55.95 57.36 2dmp s SER 87 Cb -0.36 -2.07 -0.12 0.00 0.21 0.00 0.00 66.02 63.68 2dmp s SER 87 CO 0.47 -0.12 0.23 0.28 0.41 0.00 0.00 173.24 174.51 2dmp h SER 88 N 8.38 0.00 0.00 2.44 0.02 -2.07 -3.54 113.55 118.77 2dmp h SER 88 Ca -0.34 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 2dmp h SER 88 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dmp h SER 88 CO 0.59 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.77