#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 6.71 0.06 1.61 0.01 -1.26 -5.02 113.70 115.82 2dmp s SER 2 Ca 0.00 0.98 -0.33 0.00 1.31 0.00 0.00 55.95 57.90 2dmp s SER 2 Cb 0.00 -2.25 -0.19 0.00 0.21 0.00 0.00 66.02 63.79 2dmp s SER 2 CO 0.00 0.01 1.58 -1.28 0.41 0.00 0.00 173.24 173.96 2dmp h SER 3 N 3.01 -0.84 -0.96 2.44 0.87 -2.04 -3.41 113.55 112.63 2dmp h SER 3 Ca -0.48 0.02 -0.69 0.00 -1.23 0.00 0.00 61.79 59.42 2dmp h SER 3 Cb 1.18 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 2dmp h SER 3 CO 0.68 -0.58 1.38 0.61 -0.53 0.00 0.00 176.83 178.39 2dmp n GLY 4 N -1.45 0.42 3.21 5.77 0.00 -1.26 -4.91 105.19 106.97 2dmp n GLY 4 Ca -0.14 0.96 -0.11 0.00 0.00 0.00 0.00 46.02 46.73 2dmp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmp s SER 5 N 6.97 -0.40 0.80 1.61 1.04 -1.26 -5.17 113.70 117.29 2dmp s SER 5 Ca 1.11 0.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.25 2dmp s SER 5 Cb -0.95 0.71 0.13 0.00 0.10 0.00 0.00 66.02 66.01 2dmp s SER 5 CO 0.52 -0.19 1.12 -0.44 0.98 0.00 0.00 173.24 175.23 2dmp s SER 6 N 1.48 4.08 0.00 7.02 0.01 -1.26 -4.98 113.70 120.05 2dmp s SER 6 Ca -0.09 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2dmp s SER 6 Cb -0.09 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2dmp s SER 6 CO -0.12 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.07 2dmp n GLY 7 N -3.19 0.52 3.16 3.44 0.00 -1.26 -5.16 105.19 102.70 2dmp n GLY 7 Ca 0.13 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 2dmp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmp s ALA 8 N 0.00 -0.20 0.57 4.61 0.00 -1.26 -4.97 121.76 120.51 2dmp s ALA 8 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 2dmp s ALA 8 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2dmp s ALA 8 CO 0.00 -0.37 1.15 0.71 0.00 0.00 0.00 175.76 177.25 2dmp s TYR 9 N -2.83 2.58 -0.28 0.00 2.02 -1.26 -4.94 117.35 112.64 2dmp s TYR 9 Ca -0.03 1.54 -0.29 0.00 -0.37 0.00 0.00 57.07 57.92 2dmp s TYR 9 Cb 0.00 -3.33 -0.02 0.00 -0.40 0.00 0.00 41.96 38.22 2dmp s TYR 9 CO -0.05 -1.76 1.66 -1.25 -1.57 0.00 0.00 175.55 172.57 2dmp s PRO 10 N -3.40 3.61 -0.01 -1.71 0.04 -1.26 -4.99 135.00 127.28 2dmp s PRO 10 Ca 0.73 1.50 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2dmp s PRO 10 Cb -0.25 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.19 2dmp s PRO 10 CO 0.30 -1.53 -0.08 0.16 0.04 0.00 0.00 177.00 175.90 2dmp s ASP 11 N 4.86 0.99 0.11 6.66 -4.77 -1.26 -5.15 116.67 118.11 2dmp s ASP 11 Ca 0.73 -0.15 0.03 0.00 -3.30 0.00 0.00 52.55 49.87 2dmp s ASP 11 Cb -0.23 -0.14 -0.04 0.00 -1.09 0.00 0.00 42.92 41.42 2dmp s ASP 11 CO 0.31 0.09 0.13 0.72 0.70 0.00 0.00 175.17 177.13 2dmp s PHE 12 N -0.11 3.24 0.22 2.11 -0.12 -1.26 -5.13 117.98 116.93 2dmp s PHE 12 Ca 0.02 0.06 0.07 0.00 -0.05 0.00 0.00 56.93 57.04 2dmp s PHE 12 Cb -0.04 -1.60 -0.04 0.00 -0.63 0.00 0.00 43.02 40.71 2dmp s PHE 12 CO -0.00 0.53 0.11 0.00 -0.05 0.00 0.00 175.22 175.80 2dmp s ALA 13 N -1.56 3.43 1.21 1.99 0.00 -1.26 -5.13 121.76 120.44 2dmp s ALA 13 Ca 0.31 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 2dmp s ALA 13 Cb -0.11 -1.16 0.26 0.00 0.00 0.00 0.00 23.12 22.10 2dmp s ALA 13 CO 0.24 0.35 0.92 -0.35 0.00 0.00 0.00 175.76 176.92 2dmp n PRO 14 N -0.74 -2.82 -4.14 0.00 -0.04 -1.26 -5.04 135.00 120.96 2dmp n PRO 14 Ca -0.08 -1.48 -0.34 0.00 -0.04 0.00 0.00 63.50 61.56 2dmp n PRO 14 Cb 0.57 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 2dmp n PRO 14 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2dmp s GLN 15 N -5.10 3.77 -0.08 0.54 -2.07 -1.26 -5.09 119.66 110.37 2dmp s GLN 15 Ca 0.60 -0.45 -0.16 0.00 -1.82 0.00 0.00 55.36 53.53 2dmp s GLN 15 Cb -0.06 -3.09 0.04 0.00 -1.09 0.00 0.00 33.01 28.80 2dmp s GLN 15 CO 0.46 0.17 0.40 0.15 -1.32 0.00 0.00 175.29 175.15 2dmp s LYS 16 N 0.59 0.63 0.92 9.60 1.02 -1.26 -5.16 119.74 126.08 2dmp s LYS 16 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.09 2dmp s LYS 16 Cb -0.14 0.29 0.09 0.00 -0.52 0.00 0.00 37.83 37.55 2dmp s LYS 16 CO 0.02 -0.14 0.79 1.19 -0.92 0.00 0.00 175.35 176.29 2dmp n PHE 17 N 1.95 -0.24 -4.46 3.18 3.72 -1.26 -5.04 117.46 115.31 2dmp n PHE 17 Ca -0.17 0.32 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 2dmp n PHE 17 Cb 0.57 -1.90 -0.10 0.00 -0.94 0.00 0.00 39.48 37.10 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 -4.08 1.71 0.00 -1.08 1.02 -1.26 -5.05 119.74 111.00 2dmp s LYS 18 Ca 0.63 -1.97 0.17 0.00 0.02 0.00 0.00 55.97 54.81 2dmp s LYS 18 Cb -0.23 -0.79 0.39 0.00 -0.52 0.00 0.00 37.83 36.68 2dmp s LYS 18 CO 0.62 -0.26 1.31 0.39 -0.92 0.00 0.00 175.35 176.48 2dmp n GLU 19 N -0.74 2.41 -3.88 1.68 1.02 -1.26 -4.97 120.64 114.91 2dmp n GLU 19 Ca -0.03 -2.14 -0.09 0.00 -0.02 0.00 0.00 57.16 54.87 2dmp n GLU 19 Cb 0.66 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.60 2dmp n GLU 19 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dmp s LYS 20 N -1.14 0.76 0.32 3.49 1.02 -1.26 -5.15 119.74 117.78 2dmp s LYS 20 Ca 0.32 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 2dmp s LYS 20 Cb 0.18 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.70 2dmp s LYS 20 CO 0.24 -0.22 0.96 0.99 -0.92 0.00 0.00 175.35 176.40 2dmp s THR 21 N -3.36 4.12 0.29 2.17 2.01 -1.26 -4.91 115.64 114.70 2dmp s THR 21 Ca 0.01 1.78 -0.03 0.00 0.31 0.00 0.00 61.69 63.76 2dmp s THR 21 Cb 0.03 -4.00 0.42 0.00 0.01 0.00 0.00 72.50 68.96 2dmp s THR 21 CO -0.08 0.16 1.57 1.56 -0.69 0.00 0.00 174.62 177.14 2dmp h GLN 22 N 3.20 0.01 0.26 4.92 4.20 -2.01 -0.96 115.11 124.73 2dmp h GLN 22 Ca -0.47 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.24 2dmp h GLN 22 Cb 1.20 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 2dmp h GLN 22 CO 0.65 0.01 -0.34 0.78 -0.67 0.00 0.00 178.83 179.25 2dmp h GLY 23 N 0.01 -1.11 -0.72 3.46 0.00 -1.98 0.30 103.07 103.03 2dmp h GLY 23 Ca 0.53 0.53 0.18 0.00 0.00 0.00 0.00 47.33 48.57 2dmp h GLY 23 CO -0.95 -0.34 -0.16 1.46 0.00 0.00 0.00 176.54 176.55 2dmp h GLN 24 N -0.62 0.01 -0.69 4.80 4.20 -1.53 0.52 115.11 121.79 2dmp h GLN 24 Ca -0.03 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2dmp h GLN 24 Cb 0.56 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2dmp h GLN 24 CO -0.09 0.01 0.14 0.28 -0.67 0.00 0.00 178.83 178.50 2dmp h VAL 25 N 0.01 1.26 -0.82 -0.54 2.07 -1.07 -2.66 116.25 114.50 2dmp h VAL 25 Ca 0.44 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2dmp h VAL 25 Cb 0.71 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2dmp h VAL 25 CO -0.87 0.39 0.53 0.50 0.02 0.00 0.00 177.57 178.14 2dmp h LYS 26 N 1.06 1.09 -0.36 1.57 3.64 0.38 0.16 116.57 124.10 2dmp h LYS 26 Ca 0.21 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 2dmp h LYS 26 Cb 0.41 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2dmp h LYS 26 CO 0.01 0.73 -0.18 0.82 -2.27 0.00 0.00 179.45 178.56 2dmp h ILE 27 N 1.12 1.26 0.01 2.00 2.04 -0.64 -2.67 117.51 120.63 2dmp h ILE 27 Ca 0.30 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2dmp h ILE 27 Cb -0.11 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2dmp h ILE 27 CO -0.06 0.41 -0.00 -0.07 0.00 0.00 0.00 178.15 178.42 2dmp h LEU 28 N 0.60 -0.01 -0.57 1.44 3.38 -1.05 -3.19 115.31 115.92 2dmp h LEU 28 Ca 0.09 -0.73 0.11 0.00 0.09 0.00 0.00 57.88 57.45 2dmp h LEU 28 Cb 0.65 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 2dmp h LEU 28 CO 0.05 0.73 -0.17 -0.33 0.09 0.00 0.00 178.44 178.81 2dmp h GLU 29 N -0.76 -0.03 -0.94 1.13 5.08 -0.72 0.26 114.58 118.59 2dmp h GLU 29 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2dmp h GLU 29 Cb 0.74 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 2dmp h GLU 29 CO 0.00 -0.02 0.56 0.22 -1.00 0.00 0.00 179.01 178.77 2dmp h ASP 30 N -0.03 0.78 0.13 1.42 1.82 -1.57 0.43 116.42 119.40 2dmp h ASP 30 Ca 0.27 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 2dmp h ASP 30 Cb 0.45 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2dmp h ASP 30 CO -0.60 0.39 -0.06 -1.28 -1.61 0.00 0.00 179.24 176.08 2dmp h SER 31 N 0.86 -0.15 0.74 2.28 0.87 -0.78 -3.17 113.55 114.20 2dmp h SER 31 Ca 0.48 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2dmp h SER 31 Cb 0.54 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2dmp h SER 31 CO -0.29 0.33 -0.36 0.15 -0.53 0.00 0.00 176.83 176.13 2dmp h PHE 32 N -0.68 -0.93 -0.77 2.24 3.04 -0.20 0.29 116.94 119.93 2dmp h PHE 32 Ca -0.02 -0.02 0.32 0.00 3.98 0.00 0.00 57.97 62.23 2dmp h PHE 32 Cb 0.51 0.31 -0.14 0.00 2.56 0.00 0.00 35.95 39.19 2dmp h PHE 32 CO 0.07 -0.58 0.42 1.28 -2.02 0.00 0.00 178.31 177.49 2dmp n LEU 33 N -4.69 0.26 -0.01 0.59 4.77 0.15 -0.09 117.00 117.97 2dmp n LEU 33 Ca -0.12 1.25 -0.04 0.00 -0.03 0.00 0.00 56.01 57.07 2dmp n LEU 33 Cb 0.40 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2dmp n LEU 33 CO 0.30 -1.40 0.13 0.11 -1.33 0.00 0.00 177.39 175.19 2dmp h LYS 34 N 0.00 -0.08 -3.50 3.23 1.57 -1.45 -3.45 116.57 112.89 2dmp h LYS 34 Ca 0.65 0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 58.88 2dmp h LYS 34 Cb 1.72 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.65 2dmp h LYS 34 CO -0.58 0.14 -0.76 -1.54 -0.57 0.00 0.00 179.45 176.14 2dmp s SER 35 N -5.57 3.51 0.25 0.86 1.04 0.87 -5.02 113.70 109.64 2dmp s SER 35 Ca -0.05 -1.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.05 2dmp s SER 35 Cb -0.00 -0.71 0.41 0.00 0.10 0.00 0.00 66.02 65.82 2dmp s SER 35 CO 0.18 -0.37 1.59 0.77 0.98 0.00 0.00 173.24 176.40 2dmp h SER 36 N 8.18 -0.70 -3.15 7.02 4.64 -1.70 -3.28 113.55 124.57 2dmp h SER 36 Ca -0.16 0.25 -0.74 0.00 -0.47 0.00 0.00 61.79 60.67 2dmp h SER 36 Cb 1.06 0.50 -0.22 0.00 -0.31 0.00 0.00 62.40 63.42 2dmp h SER 36 CO 0.41 -0.27 -0.19 -0.36 -0.87 0.00 0.00 176.83 175.55 2dmp s PHE 37 N -6.21 3.20 0.63 4.77 0.40 -1.26 -4.83 117.98 114.68 2dmp s PHE 37 Ca -0.14 -1.07 -0.16 0.00 -0.60 0.00 0.00 56.93 54.95 2dmp s PHE 37 Cb 0.24 -3.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 2dmp s PHE 37 CO 0.76 -0.99 1.11 -1.25 0.70 0.00 0.00 175.22 175.56 2dmp s PRO 38 N 1.83 2.94 0.49 0.24 0.04 -1.23 -5.05 135.00 134.25 2dmp s PRO 38 Ca 0.05 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2dmp s PRO 38 Cb -0.27 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2dmp s PRO 38 CO 0.05 -1.15 0.70 -0.08 0.04 0.00 0.00 177.00 176.57 2dmp s THR 39 N -2.20 3.30 0.10 1.26 -1.32 -1.26 -4.82 115.64 110.70 2dmp s THR 39 Ca 0.68 -0.64 -0.24 0.00 -1.21 0.00 0.00 61.69 60.28 2dmp s THR 39 Cb -0.21 -3.21 -0.08 0.00 -1.51 0.00 0.00 72.50 67.48 2dmp s THR 39 CO 0.38 -0.14 1.41 1.56 -2.21 0.00 0.00 174.62 175.62 2dmp h GLN 40 N 0.29 -0.25 -0.43 7.08 1.08 -1.99 0.94 115.11 121.83 2dmp h GLN 40 Ca -0.44 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 56.87 2dmp h GLN 40 Cb 1.28 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 28.67 2dmp h GLN 40 CO 0.54 -0.16 -0.19 0.00 -0.95 0.00 0.00 178.83 178.06 2dmp h ALA 41 N -0.29 0.14 0.05 3.87 0.00 -2.00 -1.22 119.26 119.82 2dmp h ALA 41 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dmp h ALA 41 Cb 0.43 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dmp h ALA 41 CO -0.49 -0.54 -0.12 1.49 0.00 0.00 0.00 179.25 179.59 2dmp h GLU 42 N -0.10 -0.18 -0.82 0.00 4.57 -1.63 -2.72 114.58 113.69 2dmp h GLU 42 Ca 0.21 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.50 2dmp h GLU 42 Cb 0.43 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 28.94 2dmp h GLU 42 CO -0.50 -0.12 -0.51 -0.07 -1.18 0.00 0.00 179.01 176.63 2dmp h LEU 43 N -0.19 -1.83 -0.94 1.64 3.38 -0.65 0.49 115.31 117.20 2dmp h LEU 43 Ca -0.01 0.30 0.36 0.00 0.09 0.00 0.00 57.88 58.62 2dmp h LEU 43 Cb 0.18 0.83 -0.17 0.00 0.09 0.00 0.00 40.66 41.59 2dmp h LEU 43 CO -0.05 -0.29 0.38 -0.67 0.09 0.00 0.00 178.44 177.90 2dmp n ASP 44 N -5.35 0.21 0.07 -0.43 2.03 -0.48 0.13 116.55 112.74 2dmp n ASP 44 Ca 0.03 1.57 -0.21 0.00 0.52 0.00 0.00 54.79 56.69 2dmp n ASP 44 Cb 0.32 -0.71 -0.12 0.00 -0.72 0.00 0.00 41.12 39.89 2dmp n ASP 44 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dmp h ARG 45 N 0.00 0.65 -0.36 -0.67 9.65 0.21 -3.11 114.38 120.74 2dmp h ARG 45 Ca 0.74 -0.79 0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2dmp h ARG 45 Cb 1.86 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 30.67 2dmp h ARG 45 CO -0.76 1.35 0.21 -0.07 2.80 0.00 0.00 179.97 183.50 2dmp h LEU 46 N 0.30 0.34 0.26 3.80 3.38 0.28 0.16 115.31 123.82 2dmp h LEU 46 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2dmp h LEU 46 Cb 1.80 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 2dmp h LEU 46 CO 0.22 0.25 -0.16 0.03 0.09 0.00 0.00 178.44 178.87 2dmp h ARG 47 N 0.43 -0.38 -0.36 1.13 3.08 -0.71 0.10 114.38 117.68 2dmp h ARG 47 Ca 0.14 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.29 2dmp h ARG 47 Cb 0.00 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.06 2dmp h ARG 47 CO -0.06 -0.25 -0.17 -0.24 -1.07 0.00 0.00 179.97 178.17 2dmp h VAL 48 N -0.39 0.47 0.14 2.04 3.04 -1.55 1.64 116.25 121.65 2dmp h VAL 48 Ca -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2dmp h VAL 48 Cb 0.31 0.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.04 2dmp h VAL 48 CO 0.03 0.00 -0.37 -0.33 -1.01 0.00 0.00 177.57 175.89 2dmp h GLU 49 N -0.12 -0.55 0.00 4.17 5.08 -0.66 -0.61 114.58 121.90 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 0.39 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2dmp h GLU 49 CO -0.43 -0.37 0.00 0.25 -1.00 0.00 0.00 179.01 177.46 2dmp n THR 50 N -4.57 0.46 -3.44 1.13 -2.24 0.35 -4.88 114.28 101.10 2dmp n THR 50 Ca -0.07 0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 2dmp n THR 50 Cb 0.30 -0.81 0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.30 -6.86 -4.40 -0.78 4.76 0.52 -4.87 118.16 105.23 2dmp n LYS 51 Ca 0.09 0.78 -0.20 0.00 -2.87 0.00 0.00 58.31 56.11 2dmp n LYS 51 Cb 0.15 -5.66 -0.10 0.00 -1.84 0.00 0.00 35.03 27.58 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 -6.50 1.96 0.41 -0.35 1.43 0.91 -4.98 118.68 111.57 2dmp s LEU 52 Ca 0.29 -1.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 2dmp s LEU 52 Cb -0.13 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.88 2dmp s LEU 52 CO 0.68 -0.66 0.53 -0.44 0.23 0.00 0.00 176.35 176.69 2dmp s SER 53 N -3.42 5.62 0.18 2.29 0.01 -1.26 -4.26 113.70 112.86 2dmp s SER 53 Ca 0.37 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 57.02 2dmp s SER 53 Cb 0.08 -0.73 0.14 0.00 0.21 0.00 0.00 66.02 65.72 2dmp s SER 53 CO 0.15 -0.70 1.63 0.03 0.41 0.00 0.00 173.24 174.76 2dmp h ARG 54 N 0.73 -0.10 0.19 12.44 3.08 -1.98 -1.97 114.38 126.78 2dmp h ARG 54 Ca -0.41 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.66 2dmp h ARG 54 Cb 1.27 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 2dmp h ARG 54 CO 0.48 -0.06 -0.29 0.00 -1.07 0.00 0.00 179.97 179.03 2dmp h ARG 55 N -0.10 -0.53 -0.60 0.04 3.08 -1.98 0.18 114.38 114.47 2dmp h ARG 55 Ca 0.23 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.37 2dmp h ARG 55 Cb 0.45 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 2dmp h ARG 55 CO -0.55 -0.35 -0.37 0.93 -1.07 0.00 0.00 179.97 178.56 2dmp h GLU 56 N -0.55 -0.02 -0.09 0.04 4.39 -1.76 -0.78 114.58 115.81 2dmp h GLU 56 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dmp h GLU 56 Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2dmp h GLU 56 CO -0.12 -0.01 0.06 0.82 -1.16 0.00 0.00 179.01 178.59 2dmp h ILE 57 N -0.02 1.04 -0.78 3.13 2.04 -1.35 -3.04 117.51 118.54 2dmp h ILE 57 Ca 0.10 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 65.96 2dmp h ILE 57 Cb 0.27 0.96 -0.12 0.00 -0.74 0.00 0.00 36.82 37.19 2dmp h ILE 57 CO -0.58 0.04 -0.34 -0.67 0.00 0.00 0.00 178.15 176.61 2dmp n ASP 58 N -5.01 -0.57 -0.14 1.72 -0.08 0.62 0.12 116.55 113.20 2dmp n ASP 58 Ca -0.05 1.37 -0.05 0.00 -1.51 0.00 0.00 54.79 54.55 2dmp n ASP 58 Cb 0.04 -0.29 0.04 0.00 2.34 0.00 0.00 41.12 43.26 2dmp n ASP 58 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2dmp h SER 59 N 0.00 0.22 0.36 1.67 4.64 -1.23 0.19 113.55 119.39 2dmp h SER 59 Ca 0.24 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2dmp h SER 59 Cb 0.44 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2dmp h SER 59 CO -0.77 0.16 -0.44 -0.25 -0.87 0.00 0.00 176.83 174.66 2dmp h TRP 60 N 0.36 -1.22 -0.13 4.77 7.01 0.91 -1.20 115.95 126.47 2dmp h TRP 60 Ca 0.20 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.24 2dmp h TRP 60 Cb 0.17 0.49 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 2dmp h TRP 60 CO -0.14 -0.58 0.01 0.74 -2.79 0.00 0.00 178.44 175.68 2dmp h PHE 61 N -0.83 0.02 -0.61 2.65 -1.00 -0.85 0.20 116.94 116.51 2dmp h PHE 61 Ca -0.03 0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.88 2dmp h PHE 61 Cb 0.76 0.01 -0.12 0.00 3.61 0.00 0.00 35.95 40.22 2dmp h PHE 61 CO -0.27 -0.00 -0.20 0.77 -1.61 0.00 0.00 178.31 177.00 2dmp h SER 62 N 0.06 -0.72 -0.03 2.17 0.02 -0.41 0.00 113.55 114.64 2dmp h SER 62 Ca 0.06 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2dmp h SER 62 Cb 0.06 0.43 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2dmp h SER 62 CO -0.09 -0.24 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.00 2dmp h GLU 63 N -0.05 0.08 -0.96 3.45 3.07 -0.93 -3.18 114.58 116.06 2dmp h GLU 63 Ca 0.28 -0.04 0.28 0.00 -0.50 0.00 0.00 59.36 59.39 2dmp h GLU 63 Cb 0.49 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.26 2dmp h GLU 63 CO -0.65 0.56 0.45 -0.09 -1.40 0.00 0.00 179.01 177.88 2dmp h ARG 64 N -0.40 0.30 -0.22 2.33 9.65 0.23 0.15 114.38 126.43 2dmp h ARG 64 Ca 0.00 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 2dmp h ARG 64 Cb 0.55 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2dmp h ARG 64 CO 0.01 0.20 -0.05 0.00 2.80 0.00 0.00 179.97 182.93 2dmp h ARG 65 N 0.31 0.00 -0.71 0.20 3.08 -1.00 -2.34 114.38 113.92 2dmp h ARG 65 Ca 0.66 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.87 2dmp h ARG 65 Cb 1.42 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.35 2dmp h ARG 65 CO -0.61 0.00 -0.05 0.87 -1.07 0.00 0.00 179.97 179.12 2dmp h LYS 66 N 0.00 0.07 -0.12 0.04 6.56 -0.75 -1.60 116.57 120.77 2dmp h LYS 66 Ca 0.10 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.72 2dmp h LYS 66 Cb 0.16 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.74 2dmp h LYS 66 CO -0.22 0.05 -0.54 -0.07 -2.06 0.00 0.00 179.45 176.60 2dmp h LEU 67 N 0.07 -1.73 -0.80 2.94 3.38 -1.32 0.23 115.31 118.09 2dmp h LEU 67 Ca 0.38 0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.74 2dmp h LEU 67 Cb 0.63 0.67 -0.13 0.00 0.09 0.00 0.00 40.66 41.92 2dmp h LEU 67 CO -0.66 -0.49 0.13 -0.09 0.09 0.00 0.00 178.44 177.43 2dmp h ARG 68 N -0.59 0.18 -0.48 1.13 2.43 -1.24 0.12 114.38 115.92 2dmp h ARG 68 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2dmp h ARG 68 Cb 0.69 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2dmp h ARG 68 CO -0.43 0.12 0.17 0.22 -1.51 0.00 0.00 179.97 178.54 2dmp h ASP 69 N 0.18 0.68 -4.11 -3.80 3.58 -0.74 -3.44 116.42 108.77 2dmp h ASP 69 Ca 0.47 -0.19 -0.54 0.00 0.42 0.00 0.00 57.03 57.19 2dmp h ASP 69 Cb 0.87 -0.18 0.19 0.00 1.72 0.00 0.00 39.33 41.92 2dmp h ASP 69 CO -0.63 0.69 0.25 -1.20 -2.88 0.00 0.00 179.24 175.48 2dmp n SER 70 N -4.54 0.76 -3.88 2.28 7.64 0.68 -5.04 113.62 111.52 2dmp n SER 70 Ca 0.01 0.57 -0.10 0.00 1.01 0.00 0.00 58.87 60.37 2dmp n SER 70 Cb 0.17 -1.48 -0.09 0.00 -1.01 0.00 0.00 64.21 61.81 2dmp n SER 70 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2dmp s MET 71 N -4.04 0.68 0.30 1.43 0.00 -1.26 -4.95 119.30 111.47 2dmp s MET 71 Ca 0.72 -0.72 -0.28 0.00 0.00 0.00 0.00 55.69 55.41 2dmp s MET 71 Cb -0.29 0.28 -0.09 0.00 0.00 0.00 0.00 34.83 34.72 2dmp s MET 71 CO 0.52 -0.19 1.05 -2.00 0.00 0.00 0.00 175.02 174.40 2dmp s GLU 72 N -2.77 4.58 0.27 4.11 2.56 -1.26 -4.93 118.70 121.26 2dmp s GLU 72 Ca -0.04 1.66 -0.00 0.00 0.00 0.00 0.00 54.97 56.59 2dmp s GLU 72 Cb -0.00 -3.05 0.63 0.00 2.00 0.00 0.00 34.13 33.70 2dmp s GLU 72 CO -0.05 0.20 1.66 -0.56 -0.56 0.00 0.00 175.26 175.95 2dmp h GLN 73 N 3.57 0.23 -6.17 4.30 -0.00 -2.06 -3.38 115.11 111.61 2dmp h GLN 73 Ca -0.47 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.65 57.60 2dmp h GLN 73 Cb 1.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.63 2dmp h GLN 73 CO 0.66 0.16 1.33 0.00 -0.00 0.00 0.00 178.83 180.97 2dmp s ALA 74 N -5.97 3.03 0.36 0.06 0.00 -1.26 -4.95 121.76 113.02 2dmp s ALA 74 Ca -0.12 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 2dmp s ALA 74 Cb 0.24 -3.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 2dmp s ALA 74 CO 0.77 -2.36 1.08 0.54 0.00 0.00 0.00 175.76 175.80 2dmp s VAL 75 N 6.67 3.55 -0.05 0.00 0.11 -1.26 -5.01 120.40 124.40 2dmp s VAL 75 Ca 0.88 1.32 0.01 0.00 -2.93 0.00 0.00 61.98 61.27 2dmp s VAL 75 Cb -0.31 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 2dmp s VAL 75 CO 0.35 0.14 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.97 2dmp s LEU 76 N -2.22 3.14 -0.17 2.54 0.20 -1.26 -5.11 118.68 115.80 2dmp s LEU 76 Ca 0.53 -0.05 -0.04 0.00 0.69 0.00 0.00 54.13 55.25 2dmp s LEU 76 Cb -0.27 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 2dmp s LEU 76 CO 0.34 0.35 -0.02 -0.62 -0.29 0.00 0.00 176.35 176.11 2dmp s ASP 77 N -0.92 4.86 -0.05 3.68 -1.08 -1.26 -5.10 116.67 116.79 2dmp s ASP 77 Ca 0.13 -0.14 0.05 0.00 -0.52 0.00 0.00 52.55 52.07 2dmp s ASP 77 Cb -0.11 -1.81 -0.01 0.00 -1.46 0.00 0.00 42.92 39.54 2dmp s ASP 77 CO 0.02 0.13 -0.21 -0.44 0.52 0.00 0.00 175.17 175.20 2dmp s SER 78 N 0.60 2.59 0.53 -0.34 0.01 -1.26 -5.13 113.70 110.70 2dmp s SER 78 Ca -0.02 -0.43 -0.16 0.00 1.31 0.00 0.00 55.95 56.66 2dmp s SER 78 Cb -0.14 -0.76 -0.07 0.00 0.21 0.00 0.00 66.02 65.26 2dmp s SER 78 CO 0.02 0.19 1.00 0.00 0.41 0.00 0.00 173.24 174.86 2dmp s MET 79 N -0.01 3.85 0.00 12.44 0.23 -1.26 -4.76 119.30 129.79 2dmp s MET 79 Ca -0.05 0.95 0.00 0.00 -1.03 0.00 0.00 55.69 55.56 2dmp s MET 79 Cb -0.13 -2.12 0.00 0.00 -1.53 0.00 0.00 34.83 31.05 2dmp s MET 79 CO 0.03 -0.35 0.00 0.41 -2.03 0.00 0.00 175.02 173.08 2dmp n GLY 80 N -1.67 1.16 3.41 3.16 0.00 -1.26 -5.00 105.19 104.99 2dmp n GLY 80 Ca 0.07 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 2dmp n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmp n SER 81 N 0.00 -4.70 -3.25 1.61 2.88 -1.26 -4.97 113.62 103.93 2dmp n SER 81 Ca 0.00 -0.54 -0.25 0.00 -1.33 0.00 0.00 58.87 56.76 2dmp n SER 81 Cb 0.00 -4.81 -0.07 0.00 -0.75 0.00 0.00 64.21 58.58 2dmp n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmp n GLY 82 N -1.65 3.33 3.84 0.46 0.00 -1.26 -5.11 105.19 104.81 2dmp n GLY 82 Ca -0.09 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 2dmp n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmp s LYS 83 N -1.48 2.34 -0.06 1.61 -2.85 -1.26 -5.14 119.74 112.91 2dmp s LYS 83 Ca 0.36 -1.80 -0.01 0.00 -1.00 0.00 0.00 55.97 53.51 2dmp s LYS 83 Cb 0.16 -2.16 0.03 0.00 -2.06 0.00 0.00 37.83 33.80 2dmp s LYS 83 CO -0.09 -0.32 0.01 0.45 0.10 0.00 0.00 175.35 175.51 2dmp s SER 84 N -4.12 1.48 0.00 0.03 0.15 -1.26 -5.14 113.70 104.84 2dmp s SER 84 Ca 0.41 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2dmp s SER 84 Cb -0.01 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2dmp s SER 84 CO 0.24 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dmp n GLY 85 N 5.17 3.59 3.57 9.45 0.00 -1.26 -5.00 105.19 120.71 2dmp n GLY 85 Ca -0.06 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 2.92 2.55 -0.18 1.61 0.04 -1.26 -4.93 135.00 135.75 2dmp s PRO 86 Ca 0.00 -0.53 -0.29 0.00 0.04 0.00 0.00 61.00 60.22 2dmp s PRO 86 Cb 0.00 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.38 2dmp s PRO 86 CO 0.00 -3.53 1.86 -1.54 0.04 0.00 0.00 177.00 173.83 2dmp s SER 87 N 7.59 6.11 -0.04 6.66 1.04 -1.26 -4.89 113.70 128.91 2dmp s SER 87 Ca 0.69 1.87 -0.26 0.00 0.48 0.00 0.00 55.95 58.73 2dmp s SER 87 Cb -0.05 -2.53 -0.21 0.00 0.10 0.00 0.00 66.02 63.33 2dmp s SER 87 CO 0.03 -1.44 1.17 -1.28 0.98 0.00 0.00 173.24 172.70 2dmp h SER 88 N 12.02 0.03 0.00 7.02 0.87 -2.07 -3.57 113.55 127.86 2dmp h SER 88 Ca -0.39 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.58 2dmp h SER 88 Cb 1.19 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2dmp h SER 88 CO 0.98 0.62 0.00 0.61 -0.53 0.00 0.00 176.83 178.51