#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmp h SER 2 N 0.00 -0.33 -4.03 1.61 0.87 -2.08 -3.44 113.55 106.15 2dmp h SER 2 Ca 0.00 -0.06 -0.46 0.00 -1.23 0.00 0.00 61.79 60.05 2dmp h SER 2 Cb 0.00 0.08 0.15 0.00 -0.44 0.00 0.00 62.40 62.19 2dmp h SER 2 CO 0.00 -0.15 0.24 -0.94 -0.53 0.00 0.00 176.83 175.45 2dmp s SER 3 N -4.93 2.99 0.00 6.23 1.04 -1.26 -4.40 113.70 113.37 2dmp s SER 3 Ca -0.15 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2dmp s SER 3 Cb 0.04 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2dmp s SER 3 CO 0.62 -2.89 0.00 0.61 0.98 0.00 0.00 173.24 172.56 2dmp n GLY 4 N -1.56 3.20 3.47 7.32 0.00 -1.26 -5.06 105.19 111.30 2dmp n GLY 4 Ca 0.06 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 2dmp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmp s SER 5 N 0.00 3.93 0.60 1.61 0.01 -1.26 -5.12 113.70 113.47 2dmp s SER 5 Ca 0.00 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.77 2dmp s SER 5 Cb 0.00 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 2dmp s SER 5 CO 0.00 0.29 1.07 -0.94 0.41 0.00 0.00 173.24 174.07 2dmp s SER 6 N -1.19 5.63 -0.46 2.44 1.04 -1.26 -5.01 113.70 114.88 2dmp s SER 6 Ca 0.14 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.36 2dmp s SER 6 Cb -0.11 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.58 2dmp s SER 6 CO 0.04 -1.27 0.33 -0.83 0.98 0.00 0.00 173.24 172.49 2dmp s GLY 7 N -2.63 2.02 0.28 7.32 0.00 -1.26 -5.07 107.32 107.98 2dmp s GLY 7 Ca 0.65 -2.40 -0.22 0.00 0.00 0.00 0.00 44.72 42.76 2dmp s GLY 7 CO 0.37 1.07 0.82 0.00 0.00 0.00 0.00 173.10 175.36 2dmp s ALA 8 N 1.41 3.30 -0.01 3.20 0.00 -1.26 -5.04 121.76 123.36 2dmp s ALA 8 Ca 0.05 0.30 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 2dmp s ALA 8 Cb -0.25 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2dmp s ALA 8 CO 0.01 0.26 0.79 1.52 0.00 0.00 0.00 175.76 178.33 2dmp s TYR 9 N -1.65 3.65 0.16 0.00 -0.85 -1.26 -5.03 117.35 112.38 2dmp s TYR 9 Ca 0.48 1.43 -0.30 0.00 -0.52 0.00 0.00 57.07 58.16 2dmp s TYR 9 Cb -0.16 -2.88 -0.08 0.00 0.38 0.00 0.00 41.96 39.21 2dmp s TYR 9 CO 0.21 0.13 1.32 -1.25 -1.52 0.00 0.00 175.55 174.44 2dmp s PRO 10 N 0.56 4.37 0.42 -3.49 0.04 -1.26 -5.04 135.00 130.61 2dmp s PRO 10 Ca 0.41 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.56 2dmp s PRO 10 Cb -0.19 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2dmp s PRO 10 CO 0.22 -0.31 0.14 0.34 0.04 0.00 0.00 177.00 177.43 2dmp s ASP 11 N 0.61 4.28 -0.25 6.66 2.15 -1.26 -5.13 116.67 123.72 2dmp s ASP 11 Ca 0.59 -1.20 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 2dmp s ASP 11 Cb -0.36 -0.36 0.08 0.00 -0.30 0.00 0.00 42.92 41.98 2dmp s ASP 11 CO 0.35 -0.56 0.10 0.12 -0.17 0.00 0.00 175.17 175.00 2dmp s PHE 12 N -2.65 0.76 -0.13 -5.34 5.36 -1.26 -5.12 117.98 109.60 2dmp s PHE 12 Ca 0.37 -0.97 -0.25 0.00 -0.96 0.00 0.00 56.93 55.12 2dmp s PHE 12 Cb 0.05 -1.07 -0.02 0.00 -0.34 0.00 0.00 43.02 41.63 2dmp s PHE 12 CO 0.20 -0.74 0.78 0.00 -1.46 0.00 0.00 175.22 174.00 2dmp s ALA 13 N 1.95 3.43 0.78 11.12 0.00 -1.26 -5.05 121.76 132.74 2dmp s ALA 13 Ca 0.06 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 2dmp s ALA 13 Cb -0.16 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.89 2dmp s ALA 13 CO -0.23 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 174.93 2dmp s PRO 14 N 1.61 2.16 -0.12 0.00 0.04 -1.26 -5.06 135.00 132.37 2dmp s PRO 14 Ca 0.38 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2dmp s PRO 14 Cb -0.17 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2dmp s PRO 14 CO 0.15 -1.71 -0.19 1.14 0.04 0.00 0.00 177.00 176.44 2dmp s GLN 15 N -4.90 2.60 0.07 4.56 -2.07 -1.26 -4.98 119.66 113.69 2dmp s GLN 15 Ca 0.61 -0.70 -0.07 0.00 -1.82 0.00 0.00 55.36 53.38 2dmp s GLN 15 Cb -0.17 -2.13 -0.01 0.00 -1.09 0.00 0.00 33.01 29.60 2dmp s GLN 15 CO 0.56 -0.02 0.13 0.15 -1.32 0.00 0.00 175.29 174.79 2dmp s LYS 16 N 0.85 0.77 -0.39 9.60 -0.14 -1.26 -5.13 119.74 124.04 2dmp s LYS 16 Ca -0.08 -1.00 -0.16 0.00 -1.36 0.00 0.00 55.97 53.37 2dmp s LYS 16 Cb -0.15 0.30 0.01 0.00 -1.68 0.00 0.00 37.83 36.30 2dmp s LYS 16 CO -0.01 -0.22 0.37 -0.06 -0.76 0.00 0.00 175.35 174.67 2dmp s PHE 17 N -3.75 3.20 0.04 3.18 0.08 -1.26 -5.00 117.98 114.47 2dmp s PHE 17 Ca 0.04 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 2dmp s PHE 17 Cb 0.05 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 2dmp s PHE 17 CO -0.10 -0.56 -0.01 0.15 -0.10 0.00 0.00 175.22 174.60 2dmp s LYS 18 N 1.96 0.50 0.78 0.44 1.02 -1.26 -5.15 119.74 118.03 2dmp s LYS 18 Ca 0.10 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 55.04 2dmp s LYS 18 Cb -0.17 0.18 0.07 0.00 -0.52 0.00 0.00 37.83 37.38 2dmp s LYS 18 CO 0.12 -0.10 1.13 -1.21 -0.92 0.00 0.00 175.35 174.38 2dmp s GLU 19 N -2.85 2.01 -0.28 1.68 2.02 -1.26 -5.01 118.70 115.02 2dmp s GLU 19 Ca -0.03 1.43 -0.08 0.00 0.02 0.00 0.00 54.97 56.31 2dmp s GLU 19 Cb 0.00 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 2dmp s GLU 19 CO -0.06 -1.87 0.10 0.15 0.02 0.00 0.00 175.26 173.60 2dmp s LYS 20 N -4.49 3.47 0.88 1.61 1.02 -1.26 -5.09 119.74 115.87 2dmp s LYS 20 Ca 0.66 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.92 2dmp s LYS 20 Cb -0.22 -3.42 0.12 0.00 -0.52 0.00 0.00 37.83 33.80 2dmp s LYS 20 CO 0.52 -0.30 1.09 -0.08 -0.92 0.00 0.00 175.35 175.65 2dmp s THR 21 N 1.60 2.74 0.19 2.17 -1.32 -1.26 -4.74 115.64 115.02 2dmp s THR 21 Ca 0.05 0.24 -0.13 0.00 -1.21 0.00 0.00 61.69 60.64 2dmp s THR 21 Cb -0.16 -2.74 0.15 0.00 -1.51 0.00 0.00 72.50 68.24 2dmp s THR 21 CO 0.04 -0.31 1.68 1.56 -2.21 0.00 0.00 174.62 175.38 2dmp h GLN 22 N -1.48 0.12 -0.27 7.08 1.08 -1.99 -1.34 115.11 118.31 2dmp h GLN 22 Ca -0.49 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 56.77 2dmp h GLN 22 Cb 1.28 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.61 2dmp h GLN 22 CO 0.55 0.08 -0.27 0.78 -0.95 0.00 0.00 178.83 179.02 2dmp h GLY 23 N 0.12 -0.20 0.83 3.46 0.00 -1.99 0.24 103.07 105.52 2dmp h GLY 23 Ca 0.27 0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.95 2dmp h GLY 23 CO -0.44 -0.21 -0.10 1.46 0.00 0.00 0.00 176.54 177.25 2dmp h GLN 24 N -0.26 -0.21 -0.72 4.80 4.20 -1.72 -2.48 115.11 118.72 2dmp h GLN 24 Ca 0.14 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.95 2dmp h GLN 24 Cb 0.49 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 2dmp h GLN 24 CO -0.42 -0.14 0.38 0.28 -0.67 0.00 0.00 178.83 178.25 2dmp h VAL 25 N -0.22 0.88 -0.73 -0.54 2.07 -0.77 -1.58 116.25 115.36 2dmp h VAL 25 Ca 0.02 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.41 2dmp h VAL 25 Cb 0.23 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 2dmp h VAL 25 CO -0.05 0.12 0.37 0.11 0.02 0.00 0.00 177.57 178.13 2dmp h LYS 26 N 0.65 0.60 -0.72 1.57 1.57 -0.16 0.25 116.57 120.33 2dmp h LYS 26 Ca 0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2dmp h LYS 26 Cb 0.33 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2dmp h LYS 26 CO -0.25 0.40 0.41 0.82 -0.57 0.00 0.00 179.45 180.26 2dmp h ILE 27 N 0.62 1.21 0.22 1.86 2.04 -0.86 -2.32 117.51 120.27 2dmp h ILE 27 Ca 0.36 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2dmp h ILE 27 Cb 0.40 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2dmp h ILE 27 CO -0.28 0.22 -0.11 -0.07 0.00 0.00 0.00 178.15 177.92 2dmp h LEU 28 N 0.99 -0.25 -0.94 1.44 3.38 -0.79 -2.98 115.31 116.15 2dmp h LEU 28 Ca 0.26 -0.15 0.28 0.00 0.09 0.00 0.00 57.88 58.36 2dmp h LEU 28 Cb -0.01 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 40.64 2dmp h LEU 28 CO -0.05 0.26 0.20 -0.33 0.09 0.00 0.00 178.44 178.61 2dmp h GLU 29 N -1.02 0.09 0.06 1.13 5.08 -0.55 0.33 114.58 119.70 2dmp h GLU 29 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2dmp h GLU 29 Cb 0.38 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2dmp h GLU 29 CO 0.05 0.06 -0.03 0.22 -1.00 0.00 0.00 179.01 178.31 2dmp h ASP 30 N 0.09 -0.06 -0.21 1.42 1.82 -1.50 0.44 116.42 118.42 2dmp h ASP 30 Ca 0.62 -0.07 0.02 0.00 -0.39 0.00 0.00 57.03 57.21 2dmp h ASP 30 Cb 1.33 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.34 2dmp h ASP 30 CO -0.78 0.03 0.08 0.28 -1.61 0.00 0.00 179.24 177.24 2dmp h SER 31 N -0.15 0.10 0.58 2.28 0.02 -0.34 -1.50 113.55 114.54 2dmp h SER 31 Ca -0.01 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2dmp h SER 31 Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.68 2dmp h SER 31 CO 0.01 0.09 -0.28 0.15 -1.14 0.00 0.00 176.83 175.67 2dmp h PHE 32 N 0.19 -0.72 -1.24 3.45 3.57 -0.66 0.16 116.94 121.69 2dmp h PHE 32 Ca 0.09 -0.02 0.41 0.00 3.53 0.00 0.00 57.97 61.99 2dmp h PHE 32 Cb 0.05 0.24 -0.13 0.00 2.79 0.00 0.00 35.95 38.89 2dmp h PHE 32 CO -0.11 -0.45 0.78 -0.07 -2.23 0.00 0.00 178.31 176.23 2dmp h LEU 33 N -1.01 0.29 0.00 0.59 3.38 -0.12 1.50 115.31 119.94 2dmp h LEU 33 Ca -0.08 0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 2dmp h LEU 33 Cb 0.59 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2dmp h LEU 33 CO 0.13 -0.19 -1.15 0.07 0.09 0.00 0.00 178.44 177.39 2dmp h LYS 34 N 0.12 0.00 -1.23 1.13 2.10 -1.18 -3.45 116.57 114.06 2dmp h LYS 34 Ca 0.80 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 59.47 2dmp h LYS 34 Cb 2.39 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 33.49 2dmp h LYS 34 CO -0.47 0.80 -0.34 0.45 -2.00 0.00 0.00 179.45 177.89 2dmp s SER 35 N -6.49 -0.98 0.29 7.07 0.15 0.51 -5.03 113.70 109.21 2dmp s SER 35 Ca -0.00 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.28 2dmp s SER 35 Cb 0.09 1.88 0.66 0.00 -1.71 0.00 0.00 66.02 66.94 2dmp s SER 35 CO 0.81 -0.28 1.76 0.77 1.20 0.00 0.00 173.24 177.51 2dmp h SER 36 N 8.05 0.66 -3.59 5.45 4.64 -1.66 -3.33 113.55 123.76 2dmp h SER 36 Ca -0.19 0.10 -0.68 0.00 -0.47 0.00 0.00 61.79 60.55 2dmp h SER 36 Cb 1.16 -0.01 -0.35 0.00 -0.31 0.00 0.00 62.40 62.89 2dmp h SER 36 CO 0.25 0.23 -0.62 -0.36 -0.87 0.00 0.00 176.83 175.46 2dmp s PHE 37 N -5.90 3.57 1.07 4.77 0.40 -1.26 -4.90 117.98 115.72 2dmp s PHE 37 Ca -0.12 -2.45 -0.14 0.00 -0.60 0.00 0.00 56.93 53.62 2dmp s PHE 37 Cb 0.24 -2.93 0.22 0.00 0.51 0.00 0.00 43.02 41.06 2dmp s PHE 37 CO 0.79 -0.94 1.10 -1.25 0.70 0.00 0.00 175.22 175.63 2dmp s PRO 38 N 1.11 -0.14 0.18 0.24 0.04 -1.25 -5.07 135.00 130.11 2dmp s PRO 38 Ca 0.06 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.50 2dmp s PRO 38 Cb -0.21 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2dmp s PRO 38 CO -0.05 -3.07 -0.01 -0.08 0.04 0.00 0.00 177.00 173.83 2dmp s THR 39 N -2.98 3.63 0.15 1.26 -1.32 -1.26 -4.92 115.64 110.21 2dmp s THR 39 Ca 0.67 -1.48 -0.19 0.00 -1.21 0.00 0.00 61.69 59.48 2dmp s THR 39 Cb -0.16 -2.83 0.06 0.00 -1.51 0.00 0.00 72.50 68.06 2dmp s THR 39 CO 0.57 -0.12 1.22 0.00 -2.21 0.00 0.00 174.62 174.08 2dmp n GLN 40 N -0.13 -0.27 -0.01 7.08 1.13 -1.26 0.28 117.38 124.20 2dmp n GLN 40 Ca -0.10 1.20 -0.10 0.00 -1.94 0.00 0.00 57.00 56.07 2dmp n GLN 40 Cb 0.55 -1.77 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 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 0.73 -0.26 0.13 -1.58 0.00 -1.99 -0.29 119.26 116.00 2dmp h ALA 41 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dmp h ALA 41 Cb 0.39 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2dmp h ALA 41 CO -0.76 -0.73 -0.27 1.49 0.00 0.00 0.00 179.25 178.98 2dmp h GLU 42 N -0.33 -0.42 -0.65 0.00 4.57 -0.56 -2.80 114.58 114.39 2dmp h GLU 42 Ca 0.11 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.42 2dmp h GLU 42 Cb 0.49 0.10 -0.12 0.00 -0.16 0.00 0.00 28.75 29.06 2dmp h GLU 42 CO -0.34 -0.28 -0.37 -0.07 -1.18 0.00 0.00 179.01 176.77 2dmp h LEU 43 N -0.44 -1.30 -0.95 1.64 3.38 -0.88 0.26 115.31 117.02 2dmp h LEU 43 Ca -0.01 0.25 0.34 0.00 0.09 0.00 0.00 57.88 58.54 2dmp h LEU 43 Cb 0.41 0.63 -0.17 0.00 0.09 0.00 0.00 40.66 41.62 2dmp h LEU 43 CO -0.11 -0.31 0.31 -0.67 0.09 0.00 0.00 178.44 177.75 2dmp n ASP 44 N -5.43 0.15 0.10 -0.43 -0.08 -0.13 0.17 116.55 110.89 2dmp n ASP 44 Ca 0.04 1.58 -0.16 0.00 -1.51 0.00 0.00 54.79 54.75 2dmp n ASP 44 Cb 0.36 -0.69 -0.11 0.00 2.34 0.00 0.00 41.12 43.02 2dmp n ASP 44 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2dmp h ARG 45 N 0.00 0.33 -0.01 -0.67 2.43 -0.35 -3.29 114.38 112.83 2dmp h ARG 45 Ca 0.71 -0.49 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2dmp h ARG 45 Cb 1.74 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.44 2dmp h ARG 45 CO -0.79 1.20 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.72 2dmp h LEU 46 N 0.13 -0.22 0.03 3.80 3.38 0.31 0.19 115.31 122.93 2dmp h LEU 46 Ca -0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2dmp h LEU 46 Cb 1.87 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2dmp h LEU 46 CO 0.20 -0.11 -0.11 0.03 0.09 0.00 0.00 178.44 178.54 2dmp h ARG 47 N -0.13 -0.15 -0.44 1.13 3.08 -1.10 0.23 114.38 117.01 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 0.17 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 2dmp h ARG 47 CO -0.09 -0.10 -0.06 -0.24 -1.07 0.00 0.00 179.97 178.42 2dmp h VAL 48 N -0.15 0.61 0.07 2.04 3.04 -1.62 1.22 116.25 121.46 2dmp h VAL 48 Ca -0.00 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2dmp h VAL 48 Cb 0.15 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 29.95 2dmp h VAL 48 CO -0.06 0.01 -0.36 -0.33 -1.01 0.00 0.00 177.57 175.83 2dmp h GLU 49 N 0.05 -0.48 0.00 4.17 4.39 -0.37 -0.38 114.58 121.96 2dmp h GLU 49 Ca 0.22 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2dmp h GLU 49 Cb 0.33 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2dmp h GLU 49 CO -0.41 -0.32 0.00 0.25 -1.16 0.00 0.00 179.01 177.36 2dmp n THR 50 N -4.48 0.32 -3.38 1.13 -2.24 0.79 -4.88 114.28 101.54 2dmp n THR 50 Ca -0.06 0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 2dmp n THR 50 Cb 0.28 -0.74 0.07 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.26 -6.54 -4.49 -0.78 4.76 0.38 -4.85 118.16 105.38 2dmp n LYS 51 Ca 0.10 0.71 -0.23 0.00 -2.87 0.00 0.00 58.31 56.03 2dmp n LYS 51 Cb 0.16 -5.39 -0.11 0.00 -1.84 0.00 0.00 35.03 27.85 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 -6.22 2.37 0.03 -0.35 1.43 0.10 -4.97 118.68 111.07 2dmp s LEU 52 Ca 0.38 -1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.04 2dmp s LEU 52 Cb -0.17 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 2dmp s LEU 52 CO 0.62 -0.56 0.30 -0.44 0.23 0.00 0.00 176.35 176.50 2dmp s SER 53 N -3.54 6.51 0.19 2.29 0.01 -1.26 -4.22 113.70 113.69 2dmp s SER 53 Ca 0.36 0.59 -0.09 0.00 1.31 0.00 0.00 55.95 58.12 2dmp s SER 53 Cb 0.09 -2.10 0.27 0.00 0.21 0.00 0.00 66.02 64.49 2dmp s SER 53 CO 0.16 0.22 1.16 -1.14 0.41 0.00 0.00 173.24 174.05 2dmp n ARG 54 N 0.98 -0.11 0.10 12.44 0.00 -1.26 0.68 116.66 129.49 2dmp n ARG 54 Ca -0.10 1.15 -0.13 0.00 -0.00 0.00 0.00 57.85 58.78 2dmp n ARG 54 Cb 0.53 -1.72 -0.06 0.00 0.00 0.00 0.00 32.46 31.21 2dmp n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dmp h ARG 55 N 0.00 -0.48 -0.82 -0.14 3.08 -2.00 -1.61 114.38 112.42 2dmp h ARG 55 Ca 0.32 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.52 2dmp h ARG 55 Cb 0.50 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.53 2dmp h ARG 55 CO -0.75 -0.32 -0.42 0.93 -1.07 0.00 0.00 179.97 178.34 2dmp h GLU 56 N -0.50 -0.08 0.14 0.04 5.08 -0.13 -0.36 114.58 118.77 2dmp h GLU 56 Ca 0.04 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2dmp h GLU 56 Cb 0.54 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2dmp h GLU 56 CO -0.20 -0.06 -0.21 0.82 -1.00 0.00 0.00 179.01 178.36 2dmp h ILE 57 N -0.09 0.53 -0.99 3.13 2.04 -1.11 -2.37 117.51 118.65 2dmp h ILE 57 Ca 0.26 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.42 2dmp h ILE 57 Cb 0.56 0.53 -0.18 0.00 -0.74 0.00 0.00 36.82 36.98 2dmp h ILE 57 CO -0.85 0.00 0.12 -0.78 0.00 0.00 0.00 178.15 176.64 2dmp h ASP 58 N -0.42 -0.33 -0.56 1.72 3.58 -0.10 0.87 116.42 121.18 2dmp h ASP 58 Ca 0.02 0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 2dmp h ASP 58 Cb 0.42 0.44 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2dmp h ASP 58 CO -0.10 -0.36 0.26 -1.28 -2.88 0.00 0.00 179.24 174.88 2dmp h SER 59 N 0.01 0.74 0.25 2.28 0.87 -0.87 0.12 113.55 116.95 2dmp h SER 59 Ca 0.64 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 2dmp h SER 59 Cb 1.40 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2dmp h SER 59 CO -0.89 0.67 -0.15 -0.25 -0.53 0.00 0.00 176.83 175.67 2dmp h TRP 60 N 0.76 -0.40 -0.42 2.24 7.01 0.94 -2.79 115.95 123.28 2dmp h TRP 60 Ca 0.19 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 2dmp h TRP 60 Cb 0.13 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 2dmp h TRP 60 CO -0.00 -0.24 0.17 0.74 -2.79 0.00 0.00 178.44 176.32 2dmp h PHE 61 N -0.39 0.64 -0.80 2.65 -1.00 -1.09 0.75 116.94 117.70 2dmp h PHE 61 Ca -0.02 -0.05 0.15 0.00 2.81 0.00 0.00 57.97 60.87 2dmp h PHE 61 Cb 0.33 -0.19 -0.15 0.00 3.61 0.00 0.00 35.95 39.55 2dmp h PHE 61 CO -0.09 0.55 -0.24 1.03 -1.61 0.00 0.00 178.31 177.95 2dmp h SER 62 N 0.54 -0.87 0.05 2.17 0.87 -0.60 0.24 113.55 115.95 2dmp h SER 62 Ca 0.14 0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.84 2dmp h SER 62 Cb 0.18 0.54 0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2dmp h SER 62 CO -0.01 -0.28 -0.45 -0.33 -0.53 0.00 0.00 176.83 175.23 2dmp h GLU 63 N -0.02 0.21 -1.12 2.24 4.39 -1.36 -3.26 114.58 115.66 2dmp h GLU 63 Ca 0.37 -0.30 0.37 0.00 0.34 0.00 0.00 59.36 60.13 2dmp h GLU 63 Cb 0.59 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.20 2dmp h GLU 63 CO -0.83 1.08 0.68 -0.09 -1.16 0.00 0.00 179.01 178.70 2dmp h ARG 64 N -0.51 0.20 -0.27 2.33 9.65 0.12 0.64 114.38 126.53 2dmp h ARG 64 Ca -0.07 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.67 2dmp h ARG 64 Cb 1.29 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2dmp h ARG 64 CO 0.09 0.13 -0.33 0.00 2.80 0.00 0.00 179.97 182.65 2dmp h ARG 65 N 0.20 0.70 -0.99 0.20 3.08 -1.06 -3.13 114.38 113.39 2dmp h ARG 65 Ca 0.76 -0.40 0.10 0.00 0.07 0.00 0.00 59.98 60.51 2dmp h ARG 65 Cb 2.06 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 32.06 2dmp h ARG 65 CO -0.52 1.01 0.62 0.87 -1.07 0.00 0.00 179.97 180.88 2dmp h LYS 66 N 0.44 1.02 0.72 0.04 1.57 0.22 -1.11 116.57 119.46 2dmp h LYS 66 Ca 0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2dmp h LYS 66 Cb 0.92 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2dmp h LYS 66 CO 0.08 0.67 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.07 2dmp h LEU 67 N 1.05 -1.27 -0.63 2.94 3.38 -1.30 0.99 115.31 120.47 2dmp h LEU 67 Ca 0.46 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.61 2dmp h LEU 67 Cb 0.35 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 2dmp h LEU 67 CO -0.23 -0.73 0.25 -0.09 0.09 0.00 0.00 178.44 177.74 2dmp h ARG 68 N -1.15 0.43 -0.56 1.13 2.43 -1.48 -1.65 114.38 113.54 2dmp h ARG 68 Ca -0.10 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2dmp h ARG 68 Cb 0.94 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2dmp h ARG 68 CO 0.06 0.28 0.33 0.22 -1.51 0.00 0.00 179.97 179.35 2dmp h ASP 69 N 0.44 0.51 -5.25 -3.80 1.82 -0.99 -3.47 116.42 105.69 2dmp h ASP 69 Ca 0.31 0.01 -0.34 0.00 -0.39 0.00 0.00 57.03 56.63 2dmp h ASP 69 Cb 0.38 -0.10 0.13 0.00 0.68 0.00 0.00 39.33 40.42 2dmp h ASP 69 CO -0.30 0.36 -0.62 -0.24 -1.61 0.00 0.00 179.24 176.83 2dmp n SER 70 N -4.79 -4.97 -4.70 2.28 2.88 0.32 -4.97 113.62 99.68 2dmp n SER 70 Ca 0.05 -0.49 -0.32 0.00 -1.33 0.00 0.00 58.87 56.78 2dmp n SER 70 Cb 0.10 -4.51 0.14 0.00 -0.75 0.00 0.00 64.21 59.19 2dmp n SER 70 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2dmp s MET 71 N -5.93 1.43 -1.22 -1.46 -1.94 -1.26 -3.53 119.30 105.39 2dmp s MET 71 Ca 0.40 1.53 -0.06 0.00 -1.71 0.00 0.00 55.69 55.84 2dmp s MET 71 Cb -0.17 -1.78 0.01 0.00 2.01 0.00 0.00 34.83 34.90 2dmp s MET 71 CO 0.64 -2.32 1.06 0.39 -0.01 0.00 0.00 175.02 174.78 2dmp n GLU 72 N -3.83 -7.10 -3.89 2.03 1.02 -1.26 -5.01 120.64 102.59 2dmp n GLU 72 Ca 0.12 0.77 -0.11 0.00 -0.02 0.00 0.00 57.16 57.92 2dmp n GLU 72 Cb 0.52 -5.63 -0.13 0.00 -0.02 0.00 0.00 31.44 26.18 2dmp n GLU 72 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2dmp s GLN 73 N -5.99 0.11 -0.33 3.49 -1.52 -1.23 -5.10 119.66 109.09 2dmp s GLN 73 Ca 0.42 -0.15 -0.28 0.00 -1.95 0.00 0.00 55.36 53.40 2dmp s GLN 73 Cb -0.18 0.04 -0.06 0.00 -0.22 0.00 0.00 33.01 32.59 2dmp s GLN 73 CO 0.67 -0.02 2.30 0.00 -0.25 0.00 0.00 175.29 178.00 2dmp n ALA 74 N 2.65 1.39 -2.98 6.09 0.00 -1.26 -4.93 120.51 121.48 2dmp n ALA 74 Ca -0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 2dmp n ALA 74 Cb 0.59 -3.01 -0.11 0.00 0.00 0.00 0.00 19.45 16.91 2dmp n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dmp s VAL 75 N 9.76 0.10 -0.29 0.00 0.11 -1.26 -5.13 120.40 123.69 2dmp s VAL 75 Ca 1.01 -0.83 -0.21 0.00 -2.93 0.00 0.00 61.98 59.02 2dmp s VAL 75 Cb -0.30 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2dmp s VAL 75 CO 0.32 -0.46 0.65 -0.22 -3.33 0.00 0.00 175.10 172.07 2dmp s LEU 76 N -1.34 4.11 0.17 2.54 2.96 -1.26 -5.05 118.68 120.80 2dmp s LEU 76 Ca -0.15 0.57 0.10 0.00 -0.22 0.00 0.00 54.13 54.43 2dmp s LEU 76 Cb -0.09 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 2dmp s LEU 76 CO -0.01 -0.46 -0.21 1.51 -1.32 0.00 0.00 176.35 175.86 2dmp s ASP 77 N 1.57 3.03 0.98 3.68 -4.77 -1.26 -5.15 116.67 114.75 2dmp s ASP 77 Ca 0.27 -0.84 -0.16 0.00 -3.30 0.00 0.00 52.55 48.51 2dmp s ASP 77 Cb -0.15 -0.20 0.20 0.00 -1.09 0.00 0.00 42.92 41.67 2dmp s ASP 77 CO 0.11 0.05 1.26 -0.44 0.70 0.00 0.00 175.17 176.85 2dmp s SER 78 N -2.57 2.94 0.04 2.11 0.01 -1.26 -5.07 113.70 109.90 2dmp s SER 78 Ca 0.17 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.86 2dmp s SER 78 Cb -0.07 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 2dmp s SER 78 CO 0.08 -2.86 0.19 -0.32 0.41 0.00 0.00 173.24 170.75 2dmp s MET 79 N -5.74 3.41 0.00 12.44 1.75 -1.26 -4.94 119.30 124.96 2dmp s MET 79 Ca 0.71 -0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.73 2dmp s MET 79 Cb -0.06 -3.04 0.00 0.00 2.84 0.00 0.00 34.83 34.57 2dmp s MET 79 CO 0.53 0.62 0.00 0.41 -0.65 0.00 0.00 175.02 175.93 2dmp n GLY 80 N 0.47 -0.22 3.28 2.11 0.00 -1.26 -5.14 105.19 104.43 2dmp n GLY 80 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 2dmp n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmp s SER 81 N 0.00 -0.32 0.23 1.61 0.15 -1.26 -5.13 113.70 108.97 2dmp s SER 81 Ca 0.00 0.42 -0.32 0.00 0.70 0.00 0.00 55.95 56.76 2dmp s SER 81 Cb 0.00 0.53 -0.12 0.00 -1.71 0.00 0.00 66.02 64.72 2dmp s SER 81 CO 0.00 -0.34 1.63 0.61 1.20 0.00 0.00 173.24 176.34 2dmp n GLY 82 N 1.86 1.34 3.74 9.45 0.00 -1.26 -4.99 105.19 115.33 2dmp n GLY 82 Ca -0.18 0.57 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 0.50 3.02 0.23 1.61 2.20 -1.26 -5.12 119.74 120.92 2dmp s LYS 83 Ca 0.72 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.98 2dmp s LYS 83 Cb -0.55 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2dmp s LYS 83 CO 0.39 0.68 -0.05 -1.12 -0.36 0.00 0.00 175.35 174.89 2dmp s SER 84 N -1.33 4.38 -0.34 1.43 0.01 -1.26 -5.11 113.70 111.48 2dmp s SER 84 Ca 0.18 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2dmp s SER 84 Cb -0.12 -0.77 0.12 0.00 0.21 0.00 0.00 66.02 65.47 2dmp s SER 84 CO 0.08 0.04 0.17 -0.83 0.41 0.00 0.00 173.24 173.11 2dmp s GLY 85 N -3.34 0.88 -0.58 3.44 0.00 -1.26 -5.09 107.32 101.37 2dmp s GLY 85 Ca 0.29 -1.68 -0.27 0.00 0.00 0.00 0.00 44.72 43.06 2dmp s GLY 85 CO 0.18 1.93 1.84 2.56 0.00 0.00 0.00 173.10 179.62 2dmp s PRO 86 N 1.39 2.71 0.51 2.90 0.04 -1.26 -4.98 135.00 136.31 2dmp s PRO 86 Ca 0.14 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 2dmp s PRO 86 Cb -0.20 -4.36 -0.07 0.00 0.04 0.00 0.00 34.50 29.90 2dmp s PRO 86 CO -0.15 -2.63 1.05 -1.54 0.04 0.00 0.00 177.00 173.76 2dmp s SER 87 N 7.83 6.20 0.56 6.66 1.04 -1.26 -5.06 113.70 129.66 2dmp s SER 87 Ca 0.68 1.93 0.06 0.00 0.48 0.00 0.00 55.95 59.10 2dmp s SER 87 Cb -0.13 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.49 2dmp s SER 87 CO 0.22 -0.88 0.77 -0.94 0.98 0.00 0.00 173.24 173.39 2dmp s SER 88 N -2.10 5.14 0.00 7.02 1.04 -1.26 -5.35 113.70 118.19 2dmp s SER 88 Ca 0.67 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2dmp s SER 88 Cb -0.17 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2dmp s SER 88 CO 0.23 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.82