#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 -0.08 0.27 1.61 0.01 -1.26 -5.17 113.70 109.08 2dmp s SER 2 Ca 0.00 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 2dmp s SER 2 Cb 0.00 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.57 2dmp s SER 2 CO 0.00 -0.46 0.91 -0.94 0.41 0.00 0.00 173.24 173.16 2dmp s SER 3 N -1.56 -0.04 0.00 2.44 1.04 -1.26 -5.17 113.70 109.15 2dmp s SER 3 Ca -0.12 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2dmp s SER 3 Cb -0.05 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dmp s SER 3 CO 0.01 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.56 2dmp n GLY 4 N -0.59 3.49 3.08 7.32 0.00 -1.26 -5.17 105.19 112.06 2dmp n GLY 4 Ca -0.06 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.06 -0.01 1.61 1.04 -1.26 -5.16 113.70 110.98 2dmp s SER 5 Ca 0.00 -0.53 -0.16 0.00 0.48 0.00 0.00 55.95 55.73 2dmp s SER 5 Cb 0.00 0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.15 2dmp s SER 5 CO 0.00 -0.15 0.35 -0.55 0.98 0.00 0.00 173.24 173.87 2dmp s SER 6 N -1.51 -0.23 0.00 7.02 0.15 -1.26 -5.17 113.70 112.70 2dmp s SER 6 Ca -0.07 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2dmp s SER 6 Cb -0.09 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2dmp s SER 6 CO 0.01 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2dmp n GLY 7 N 1.10 3.53 3.54 9.45 0.00 -1.26 -5.18 105.19 116.38 2dmp n GLY 7 Ca -0.21 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.86 2.87 0.01 4.61 0.00 -1.26 -5.16 121.76 120.97 2dmp s ALA 8 Ca 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.13 2dmp s ALA 8 Cb 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 2dmp s ALA 8 CO 0.00 -0.22 -0.05 0.71 0.00 0.00 0.00 175.76 176.20 2dmp s TYR 9 N -3.06 0.42 1.24 0.00 2.02 -1.26 -5.16 117.35 111.54 2dmp s TYR 9 Ca 0.31 -0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.57 2dmp s TYR 9 Cb 0.08 -0.26 0.30 0.00 -0.40 0.00 0.00 41.96 41.68 2dmp s TYR 9 CO 0.15 -0.05 1.11 -1.25 -1.57 0.00 0.00 175.55 173.94 2dmp s PRO 10 N -0.65 -1.53 -0.10 -1.71 0.04 -1.26 -5.10 135.00 124.69 2dmp s PRO 10 Ca -0.04 -0.18 -0.30 0.00 0.04 0.00 0.00 61.00 60.52 2dmp s PRO 10 Cb -0.05 -1.57 0.11 0.00 0.04 0.00 0.00 34.50 33.03 2dmp s PRO 10 CO -0.00 -3.89 0.90 0.16 0.04 0.00 0.00 177.00 174.20 2dmp s ASP 11 N -3.99 -0.44 0.46 6.66 1.47 -1.26 -5.18 116.67 114.39 2dmp s ASP 11 Ca 0.72 0.38 0.04 0.00 1.18 0.00 0.00 52.55 54.87 2dmp s ASP 11 Cb -0.08 0.38 0.01 0.00 -0.34 0.00 0.00 42.92 42.89 2dmp s ASP 11 CO 0.56 -0.47 0.64 -0.36 0.68 0.00 0.00 175.17 176.22 2dmp s PHE 12 N -1.59 2.95 -0.38 2.11 0.08 -1.26 -5.07 117.98 114.82 2dmp s PHE 12 Ca -0.02 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.69 2dmp s PHE 12 Cb -0.00 -2.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2dmp s PHE 12 CO 0.01 -0.50 0.64 0.00 -0.10 0.00 0.00 175.22 175.27 2dmp s ALA 13 N -2.50 3.43 1.16 5.36 0.00 -1.26 -5.06 121.76 122.89 2dmp s ALA 13 Ca 0.53 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2dmp s ALA 13 Cb -0.10 -3.21 0.19 0.00 0.00 0.00 0.00 23.12 20.00 2dmp s ALA 13 CO 0.35 -1.46 0.68 -0.35 0.00 0.00 0.00 175.76 174.98 2dmp n PRO 14 N 6.11 -2.35 -0.74 0.00 -0.04 -1.26 -5.01 135.00 131.71 2dmp n PRO 14 Ca -0.01 -1.09 -0.29 0.00 -0.04 0.00 0.00 63.50 62.06 2dmp n PRO 14 Cb 0.48 -1.02 0.20 0.00 -0.04 0.00 0.00 33.50 33.12 2dmp n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dmp s GLN 15 N -4.55 0.11 -0.22 0.54 -0.21 -1.26 -4.89 119.66 109.19 2dmp s GLN 15 Ca 0.44 1.04 -0.29 0.00 0.02 0.00 0.00 55.36 56.58 2dmp s GLN 15 Cb -0.04 -1.66 -0.03 0.00 1.00 0.00 0.00 33.01 32.28 2dmp s GLN 15 CO 0.34 -3.09 1.72 -1.59 -2.12 0.00 0.00 175.29 170.56 2dmp s LYS 16 N -4.62 3.70 0.27 2.91 -2.85 -1.26 -4.95 119.74 112.93 2dmp s LYS 16 Ca 0.67 1.73 -0.08 0.00 -1.00 0.00 0.00 55.97 57.29 2dmp s LYS 16 Cb -0.23 -4.10 -0.01 0.00 -2.06 0.00 0.00 37.83 31.44 2dmp s LYS 16 CO 0.61 -1.42 0.43 0.12 0.10 0.00 0.00 175.35 175.19 2dmp s PHE 17 N 5.66 0.68 -0.39 1.78 5.36 -1.26 -5.13 117.98 124.68 2dmp s PHE 17 Ca 0.76 -0.99 -0.11 0.00 -0.96 0.00 0.00 56.93 55.63 2dmp s PHE 17 Cb -0.27 0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.47 2dmp s PHE 17 CO 0.31 -1.00 0.22 -1.59 -1.46 0.00 0.00 175.22 171.70 2dmp s LYS 18 N -3.71 2.77 0.00 10.12 -2.85 -1.26 -4.92 119.74 119.88 2dmp s LYS 18 Ca 0.27 -1.17 0.16 0.00 -1.00 0.00 0.00 55.97 54.23 2dmp s LYS 18 Cb 0.00 -3.74 0.50 0.00 -2.06 0.00 0.00 37.83 32.53 2dmp s LYS 18 CO 0.13 -0.76 1.39 0.39 0.10 0.00 0.00 175.35 176.60 2dmp n GLU 19 N 4.98 1.91 -3.95 1.78 1.02 -1.26 -4.88 120.64 120.25 2dmp n GLU 19 Ca -0.12 -1.39 -0.09 0.00 -0.02 0.00 0.00 57.16 55.54 2dmp n GLU 19 Cb 0.45 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.57 0.47 0.39 3.49 -0.14 -1.26 -5.13 119.74 115.99 2dmp s LYS 20 Ca 0.30 -0.65 0.08 0.00 -1.36 0.00 0.00 55.97 54.33 2dmp s LYS 20 Cb 0.16 0.18 -0.02 0.00 -1.68 0.00 0.00 37.83 36.47 2dmp s LYS 20 CO 0.22 -0.10 0.35 -0.08 -0.76 0.00 0.00 175.35 174.98 2dmp s THR 21 N -2.01 2.93 0.12 2.17 -1.32 -1.26 -4.96 115.64 111.31 2dmp s THR 21 Ca -0.10 -1.35 -0.20 0.00 -1.21 0.00 0.00 61.69 58.83 2dmp s THR 21 Cb -0.05 -3.05 -0.07 0.00 -1.51 0.00 0.00 72.50 67.81 2dmp s THR 21 CO -0.02 -0.06 1.75 0.06 -2.21 0.00 0.00 174.62 174.14 2dmp h GLN 22 N 1.09 0.14 0.40 7.08 3.07 -2.02 -0.69 115.11 124.19 2dmp h GLN 22 Ca -0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.30 2dmp h GLN 22 Cb 1.26 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.77 2dmp h GLN 22 CO 0.57 0.10 -0.47 0.78 0.09 0.00 0.00 178.83 179.90 2dmp h GLY 23 N 0.15 -1.22 0.39 0.06 0.00 -1.98 0.44 103.07 100.91 2dmp h GLY 23 Ca 0.07 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 2dmp h GLY 23 CO -0.06 -0.35 -0.43 1.46 0.00 0.00 0.00 176.54 177.15 2dmp h GLN 24 N -0.88 -0.80 -0.92 4.80 4.20 -1.88 -1.53 115.11 118.11 2dmp h GLN 24 Ca -0.05 0.05 0.20 0.00 0.06 0.00 0.00 58.65 58.92 2dmp h GLN 24 Cb 0.79 0.18 -0.11 0.00 0.30 0.00 0.00 27.48 28.63 2dmp h GLN 24 CO -0.10 -0.53 0.47 0.28 -0.67 0.00 0.00 178.83 178.28 2dmp h VAL 25 N -0.83 0.58 -0.72 -0.54 2.07 -1.11 0.26 116.25 115.96 2dmp h VAL 25 Ca -0.05 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2dmp h VAL 25 Cb 0.73 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2dmp h VAL 25 CO -0.08 0.10 0.48 0.50 0.02 0.00 0.00 177.57 178.59 2dmp h LYS 26 N 0.54 0.87 -0.38 1.57 1.63 0.41 0.38 116.57 121.59 2dmp h LYS 26 Ca 0.55 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 60.14 2dmp h LYS 26 Cb 0.96 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2dmp h LYS 26 CO -0.46 0.58 -0.37 0.82 -3.45 0.00 0.00 179.45 176.57 2dmp h ILE 27 N 0.90 1.27 0.25 2.00 2.04 0.49 -3.14 117.51 121.32 2dmp h ILE 27 Ca 0.28 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 2dmp h ILE 27 Cb 0.02 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2dmp h ILE 27 CO -0.08 0.51 -0.12 -0.07 0.00 0.00 0.00 178.15 178.40 2dmp h LEU 28 N 0.75 -0.28 -1.02 1.44 3.38 -0.66 -3.23 115.31 115.69 2dmp h LEU 28 Ca 0.07 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.42 2dmp h LEU 28 Cb 0.95 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 2dmp h LEU 28 CO 0.09 0.16 0.63 -0.62 0.09 0.00 0.00 178.44 178.79 2dmp n GLU 29 N -4.94 -0.04 0.25 1.13 1.02 0.13 -0.11 120.64 118.09 2dmp n GLU 29 Ca -0.04 1.06 -0.10 0.00 -0.02 0.00 0.00 57.16 58.06 2dmp n GLU 29 Cb 0.13 -2.02 -0.05 0.00 -0.02 0.00 0.00 31.44 29.48 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 -0.56 -0.98 1.62 1.82 -1.61 0.31 116.42 117.03 2dmp h ASP 30 Ca 0.71 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.48 2dmp h ASP 30 Cb 2.15 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 42.23 2dmp h ASP 30 CO -0.47 -0.33 0.62 0.28 -1.61 0.00 0.00 179.24 177.74 2dmp h SER 31 N -0.80 0.92 0.42 2.28 0.02 -0.53 -2.82 113.55 113.04 2dmp h SER 31 Ca -0.07 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2dmp h SER 31 Cb 0.50 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2dmp h SER 31 CO 0.11 0.52 -0.20 0.15 -1.14 0.00 0.00 176.83 176.26 2dmp h PHE 32 N 1.00 -0.52 -0.71 3.45 3.04 -0.67 -0.25 116.94 122.28 2dmp h PHE 32 Ca 0.47 -0.01 0.26 0.00 3.98 0.00 0.00 57.97 62.66 2dmp h PHE 32 Cb 0.42 0.17 -0.13 0.00 2.56 0.00 0.00 35.95 38.98 2dmp h PHE 32 CO -0.00 -0.33 0.23 1.28 -2.02 0.00 0.00 178.31 177.48 2dmp n LEU 33 N -4.14 0.12 0.02 0.59 4.77 0.11 -0.27 117.00 118.19 2dmp n LEU 33 Ca -0.07 1.18 -0.03 0.00 -0.03 0.00 0.00 56.01 57.06 2dmp n LEU 33 Cb 0.22 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2dmp n LEU 33 CO 0.17 -1.27 0.10 0.11 -1.33 0.00 0.00 177.39 175.16 2dmp h LYS 34 N 0.00 -0.16 -4.02 3.23 6.56 -1.48 -3.44 116.57 117.25 2dmp h LYS 34 Ca 0.53 0.01 -0.59 0.00 -1.06 0.00 0.00 60.65 59.54 2dmp h LYS 34 Cb 1.31 0.04 -0.39 0.00 -0.57 0.00 0.00 32.23 32.61 2dmp h LYS 34 CO -0.59 -0.05 -0.77 0.45 -2.06 0.00 0.00 179.45 176.43 2dmp s SER 35 N -5.39 3.78 0.22 0.86 0.15 0.62 -5.01 113.70 108.93 2dmp s SER 35 Ca -0.04 -1.30 -0.09 0.00 0.70 0.00 0.00 55.95 55.23 2dmp s SER 35 Cb 0.00 -1.02 0.31 0.00 -1.71 0.00 0.00 66.02 63.60 2dmp s SER 35 CO 0.12 -0.31 1.74 0.77 1.20 0.00 0.00 173.24 176.76 2dmp h SER 36 N 8.02 0.21 -3.13 5.45 4.64 -1.71 -3.35 113.55 123.68 2dmp h SER 36 Ca -0.15 0.09 -0.74 0.00 -0.47 0.00 0.00 61.79 60.52 2dmp h SER 36 Cb 1.06 0.07 -0.22 0.00 -0.31 0.00 0.00 62.40 63.01 2dmp h SER 36 CO 0.42 0.12 -0.16 -0.36 -0.87 0.00 0.00 176.83 175.98 2dmp s PHE 37 N -6.08 3.18 0.98 4.77 0.08 -1.26 -4.88 117.98 114.77 2dmp s PHE 37 Ca -0.13 -1.05 -0.17 0.00 0.12 0.00 0.00 56.93 55.71 2dmp s PHE 37 Cb 0.18 -3.64 0.24 0.00 -0.57 0.00 0.00 43.02 39.23 2dmp s PHE 37 CO 0.75 -1.01 0.87 -0.35 -0.10 0.00 0.00 175.22 175.38 2dmp n PRO 38 N 5.54 -2.73 -4.45 0.24 -0.04 -1.25 -5.09 135.00 127.22 2dmp n PRO 38 Ca -0.12 -1.39 -0.30 0.00 -0.04 0.00 0.00 63.50 61.64 2dmp n PRO 38 Cb 0.42 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 2dmp n PRO 38 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dmp s THR 39 N -2.58 1.39 0.43 0.52 -4.23 -1.26 -4.96 115.64 104.95 2dmp s THR 39 Ca 0.57 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 59.35 2dmp s THR 39 Cb -0.06 -2.21 0.24 0.00 1.34 0.00 0.00 72.50 71.81 2dmp s THR 39 CO 0.43 0.00 2.04 1.56 -0.54 0.00 0.00 174.62 178.12 2dmp h GLN 40 N 1.17 0.34 0.00 3.99 1.08 -2.00 -2.46 115.11 117.23 2dmp h GLN 40 Ca -0.42 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.73 2dmp h GLN 40 Cb 1.31 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2dmp h GLN 40 CO 0.69 0.28 -0.15 0.00 -0.95 0.00 0.00 178.83 178.70 2dmp h ALA 41 N 1.78 0.03 -0.15 3.87 0.00 -2.00 -3.24 119.26 119.54 2dmp h ALA 41 Ca 0.09 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2dmp h ALA 41 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2dmp h ALA 41 CO -0.01 0.09 -0.22 1.49 0.00 0.00 0.00 179.25 180.60 2dmp h GLU 42 N -1.00 -0.15 -0.65 0.00 4.57 -1.93 -2.20 114.58 113.22 2dmp h GLU 42 Ca -0.04 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2dmp h GLU 42 Cb 0.81 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.32 2dmp h GLU 42 CO -0.02 -0.10 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.17 2dmp h LEU 43 N -0.16 -1.64 -1.34 1.64 3.38 -1.64 0.47 115.31 116.04 2dmp h LEU 43 Ca 0.03 0.26 0.47 0.00 0.09 0.00 0.00 57.88 58.73 2dmp h LEU 43 Cb 0.23 0.74 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 2dmp h LEU 43 CO -0.23 -0.33 0.85 0.47 0.09 0.00 0.00 178.44 179.30 2dmp n ASP 44 N -5.39 0.22 0.05 -0.43 9.92 -0.86 0.23 116.55 120.28 2dmp n ASP 44 Ca 0.02 1.39 -0.13 0.00 -0.53 0.00 0.00 54.79 55.54 2dmp n ASP 44 Cb 0.34 -0.68 -0.14 0.00 -0.64 0.00 0.00 41.12 40.00 2dmp n ASP 44 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2dmp h ARG 45 N 0.00 0.14 -0.19 -1.24 1.12 0.27 -3.24 114.38 111.25 2dmp h ARG 45 Ca 0.87 -0.24 -0.04 0.00 -1.11 0.00 0.00 59.98 59.45 2dmp h ARG 45 Cb 2.76 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 32.81 2dmp h ARG 45 CO -0.48 0.99 -0.04 -0.07 -3.11 0.00 0.00 179.97 177.27 2dmp h LEU 46 N 0.04 0.35 0.35 3.80 3.38 0.43 -1.46 115.31 122.20 2dmp h LEU 46 Ca -0.17 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2dmp h LEU 46 Cb 1.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2dmp h LEU 46 CO 0.14 0.63 -0.25 0.03 0.09 0.00 0.00 178.44 179.08 2dmp h ARG 47 N 0.07 -0.55 -0.58 1.13 3.08 -0.74 0.12 114.38 116.92 2dmp h ARG 47 Ca 0.05 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.25 2dmp h ARG 47 Cb 0.47 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 2dmp h ARG 47 CO 0.02 -0.37 0.03 -0.24 -1.07 0.00 0.00 179.97 178.34 2dmp h VAL 48 N -0.57 0.56 0.39 2.04 3.04 -1.65 1.98 116.25 122.04 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 0.47 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 2dmp h VAL 48 CO 0.02 0.03 -0.36 -0.33 -1.01 0.00 0.00 177.57 175.92 2dmp h GLU 49 N 0.15 -0.71 0.00 4.17 4.39 -1.13 -1.90 114.58 119.54 2dmp h GLU 49 Ca 0.30 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2dmp h GLU 49 Cb 0.47 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2dmp h GLU 49 CO -0.47 -0.47 0.00 0.25 -1.16 0.00 0.00 179.01 177.16 2dmp n THR 50 N -4.56 0.32 -3.40 1.13 -2.24 0.39 -4.88 114.28 101.04 2dmp n THR 50 Ca -0.09 0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 2dmp n THR 50 Cb 0.33 -0.74 0.08 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.25 -6.67 -4.55 -0.78 4.76 0.64 -4.85 118.16 105.45 2dmp n LYS 51 Ca 0.11 0.76 -0.26 0.00 -2.87 0.00 0.00 58.31 56.05 2dmp n LYS 51 Cb 0.15 -5.58 -0.10 0.00 -1.84 0.00 0.00 35.03 27.67 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 -6.37 2.39 0.35 -0.35 1.43 0.86 -4.97 118.68 112.02 2dmp s LEU 52 Ca 0.27 -1.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.00 2dmp s LEU 52 Cb -0.12 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 2dmp s LEU 52 CO 0.66 -0.63 0.30 -0.44 0.23 0.00 0.00 176.35 176.48 2dmp s SER 53 N -3.62 5.24 0.17 2.29 0.01 -1.26 -4.29 113.70 112.23 2dmp s SER 53 Ca 0.30 -0.54 -0.22 0.00 1.31 0.00 0.00 55.95 56.80 2dmp s SER 53 Cb 0.07 -0.91 0.07 0.00 0.21 0.00 0.00 66.02 65.47 2dmp s SER 53 CO 0.15 -0.40 1.60 0.03 0.41 0.00 0.00 173.24 175.03 2dmp h ARG 54 N 1.22 -0.22 -0.56 12.44 2.47 -1.99 -0.54 114.38 127.20 2dmp h ARG 54 Ca -0.44 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.34 2dmp h ARG 54 Cb 1.26 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.58 2dmp h ARG 54 CO 0.58 -0.15 0.29 0.00 0.56 0.00 0.00 179.97 181.26 2dmp h ARG 55 N -0.23 0.54 0.01 0.04 2.47 -1.98 0.75 114.38 115.98 2dmp h ARG 55 Ca 0.18 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 2dmp h ARG 55 Cb 0.54 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 2dmp h ARG 55 CO -0.56 0.36 -0.43 0.93 0.56 0.00 0.00 179.97 180.83 2dmp h GLU 56 N 0.56 -0.53 0.12 0.04 4.39 -1.52 -2.57 114.58 115.07 2dmp h GLU 56 Ca 0.25 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2dmp h GLU 56 Cb 0.15 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2dmp h GLU 56 CO -0.17 -0.35 -0.06 0.82 -1.16 0.00 0.00 179.01 178.10 2dmp h ILE 57 N -0.55 0.88 -0.77 3.13 2.04 -1.18 -2.67 117.51 118.40 2dmp h ILE 57 Ca 0.01 -0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.17 2dmp h ILE 57 Cb 0.58 0.89 -0.14 0.00 -0.74 0.00 0.00 36.82 37.40 2dmp h ILE 57 CO -0.28 0.00 0.34 -0.67 0.00 0.00 0.00 178.15 177.55 2dmp n ASP 58 N -5.16 0.21 0.21 1.72 2.03 0.24 0.10 116.55 115.90 2dmp n ASP 58 Ca -0.08 1.28 -0.15 0.00 0.52 0.00 0.00 54.79 56.37 2dmp n ASP 58 Cb 0.09 -0.60 -0.08 0.00 -0.72 0.00 0.00 41.12 39.81 2dmp n ASP 58 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2dmp h SER 59 N 0.00 -0.42 -0.21 1.67 0.87 -1.10 0.39 113.55 114.76 2dmp h SER 59 Ca 0.62 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 61.16 2dmp h SER 59 Cb 1.60 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.60 2dmp h SER 59 CO -0.62 -0.18 -0.27 -0.25 -0.53 0.00 0.00 176.83 174.98 2dmp h TRP 60 N -0.66 -0.74 -0.33 2.24 7.01 0.64 -2.18 115.95 121.92 2dmp h TRP 60 Ca -0.05 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2dmp h TRP 60 Cb 0.47 0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 2dmp h TRP 60 CO -0.01 -0.35 0.10 0.74 -2.79 0.00 0.00 178.44 176.13 2dmp h PHE 61 N -0.30 0.53 -0.93 2.65 -1.00 -1.32 0.19 116.94 116.75 2dmp h PHE 61 Ca 0.12 -0.06 0.27 0.00 2.81 0.00 0.00 57.97 61.12 2dmp h PHE 61 Cb 0.50 -0.15 -0.16 0.00 3.61 0.00 0.00 35.95 39.74 2dmp h PHE 61 CO -0.40 0.54 0.20 1.03 -1.61 0.00 0.00 178.31 178.06 2dmp h SER 62 N 0.38 -0.13 0.05 2.17 0.87 0.39 -0.29 113.55 116.99 2dmp h SER 62 Ca 0.11 0.24 -0.21 0.00 -1.23 0.00 0.00 61.79 60.69 2dmp h SER 62 Cb 0.26 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2dmp h SER 62 CO -0.00 -0.27 -1.13 -0.33 -0.53 0.00 0.00 176.83 174.57 2dmp h GLU 63 N 0.11 0.11 -1.25 2.24 4.39 -1.25 -3.36 114.58 115.57 2dmp h GLU 63 Ca 0.61 -0.19 0.42 0.00 0.34 0.00 0.00 59.36 60.54 2dmp h GLU 63 Cb 1.31 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.89 2dmp h GLU 63 CO -0.77 1.09 0.79 -0.09 -1.16 0.00 0.00 179.01 178.87 2dmp h ARG 64 N -0.67 0.09 -0.66 2.33 9.65 0.39 1.35 114.38 126.85 2dmp h ARG 64 Ca -0.27 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.55 2dmp h ARG 64 Cb 1.47 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 30.00 2dmp h ARG 64 CO -0.05 0.06 0.21 0.00 2.80 0.00 0.00 179.97 183.00 2dmp h ARG 65 N 0.09 1.00 0.51 0.20 2.47 -1.23 0.12 114.38 117.54 2dmp h ARG 65 Ca 0.82 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 59.32 2dmp h ARG 65 Cb 2.46 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 30.63 2dmp h ARG 65 CO -0.48 0.85 -0.24 0.87 0.56 0.00 0.00 179.97 181.53 2dmp h LYS 66 N 0.97 -0.66 -0.55 0.04 1.57 0.16 0.31 116.57 118.42 2dmp h LYS 66 Ca 0.22 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2dmp h LYS 66 Cb 0.26 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2dmp h LYS 66 CO -0.01 -0.44 0.37 1.37 -0.57 0.00 0.00 179.45 180.17 2dmp h LEU 67 N -0.72 0.52 -0.18 2.94 8.10 -1.53 -0.76 115.31 123.68 2dmp h LEU 67 Ca -0.07 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.88 2dmp h LEU 67 Cb 0.52 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 2dmp h LEU 67 CO 0.11 0.36 -0.03 -0.09 -4.11 0.00 0.00 178.44 174.68 2dmp h ARG 68 N 0.60 0.33 -0.13 0.17 1.12 -0.67 -2.96 114.38 112.84 2dmp h ARG 68 Ca 0.23 -0.12 -0.06 0.00 -1.11 0.00 0.00 59.98 58.92 2dmp h ARG 68 Cb 0.14 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 2dmp h ARG 68 CO -0.06 0.58 -0.19 0.22 -3.11 0.00 0.00 179.97 177.41 2dmp h ASP 69 N 0.05 0.21 -0.11 -3.80 3.58 0.19 -1.68 116.42 114.85 2dmp h ASP 69 Ca 0.05 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dmp h ASP 69 Cb 0.45 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2dmp h ASP 69 CO 0.01 0.41 0.00 -1.54 -2.88 0.00 0.00 179.24 175.25 2dmp n SER 70 N -4.23 1.15 -3.84 2.28 3.41 -0.34 -4.83 113.62 107.22 2dmp n SER 70 Ca -0.01 -2.07 -0.30 0.00 -0.26 0.00 0.00 58.87 56.24 2dmp n SER 70 Cb 0.31 -0.28 0.26 0.00 -0.26 0.00 0.00 64.21 64.24 2dmp n SER 70 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2dmp s MET 71 N -1.60 -1.74 0.41 4.33 -1.94 -0.64 -4.83 119.30 113.29 2dmp s MET 71 Ca 0.09 0.18 0.25 0.00 -1.71 0.00 0.00 55.69 54.50 2dmp s MET 71 Cb 0.05 -1.51 1.32 0.00 2.01 0.00 0.00 34.83 36.71 2dmp s MET 71 CO 0.04 -4.10 1.63 1.05 -0.01 0.00 0.00 175.02 173.63 2dmp h GLU 72 N -2.87 0.14 -6.07 2.03 4.11 -1.90 -3.35 114.58 106.67 2dmp h GLU 72 Ca -0.48 -0.01 -0.53 0.00 0.07 0.00 0.00 59.36 58.41 2dmp h GLU 72 Cb 1.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2dmp h GLU 72 CO 0.36 0.09 1.35 -0.65 0.07 0.00 0.00 179.01 180.23 2dmp s GLN 73 N -5.42 2.89 0.05 1.06 -0.21 -1.26 -4.94 119.66 111.83 2dmp s GLN 73 Ca -0.08 1.05 -0.07 0.00 0.02 0.00 0.00 55.36 56.28 2dmp s GLN 73 Cb 0.30 -4.32 -0.01 0.00 1.00 0.00 0.00 33.01 29.98 2dmp s GLN 73 CO 0.81 -2.40 0.13 0.00 -2.12 0.00 0.00 175.29 171.71 2dmp s ALA 74 N 8.42 -0.12 1.10 6.09 0.00 -1.26 -4.79 121.76 131.20 2dmp s ALA 74 Ca 0.76 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2dmp s ALA 74 Cb -0.17 0.32 0.11 0.00 0.00 0.00 0.00 23.12 23.37 2dmp s ALA 74 CO 0.27 -0.38 0.14 1.33 0.00 0.00 0.00 175.76 177.12 2dmp n VAL 75 N 0.48 0.00 -2.75 0.00 0.24 -1.26 -4.90 118.33 110.13 2dmp n VAL 75 Ca -0.17 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2dmp n VAL 75 Cb 0.60 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.30 2dmp n VAL 75 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2dmp s LEU 76 N -1.66 4.21 0.16 1.34 0.05 -1.26 -5.02 118.68 116.50 2dmp s LEU 76 Ca 0.57 1.40 -0.20 0.00 0.05 0.00 0.00 54.13 55.95 2dmp s LEU 76 Cb -0.14 -3.45 0.05 0.00 -2.05 0.00 0.00 46.19 40.60 2dmp s LEU 76 CO 0.66 -0.46 0.52 1.51 -0.55 0.00 0.00 176.35 178.04 2dmp s ASP 77 N 1.12 -0.39 -0.58 1.48 -4.77 -1.26 -5.12 116.67 107.16 2dmp s ASP 77 Ca 0.45 -0.22 -0.26 0.00 -3.30 0.00 0.00 52.55 49.22 2dmp s ASP 77 Cb -0.17 0.56 0.04 0.00 -1.09 0.00 0.00 42.92 42.25 2dmp s ASP 77 CO 0.15 -0.96 1.06 -0.94 0.70 0.00 0.00 175.17 175.18 2dmp s SER 78 N -2.80 6.37 0.04 2.11 1.04 -1.26 -5.01 113.70 114.19 2dmp s SER 78 Ca 0.03 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2dmp s SER 78 Cb -0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 2dmp s SER 78 CO -0.10 -1.37 -0.18 -0.32 0.98 0.00 0.00 173.24 172.25 2dmp s MET 79 N 4.45 1.25 -0.90 4.02 0.00 -1.26 -5.08 119.30 121.78 2dmp s MET 79 Ca 0.35 -0.86 -0.23 0.00 0.00 0.00 0.00 55.69 54.95 2dmp s MET 79 Cb -0.10 -1.32 0.06 0.00 0.00 0.00 0.00 34.83 33.46 2dmp s MET 79 CO 0.21 0.34 1.31 0.20 0.00 0.00 0.00 175.02 177.08 2dmp s GLY 80 N -1.10 1.26 0.50 2.11 0.00 -1.26 -4.99 107.32 103.85 2dmp s GLY 80 Ca 0.06 -2.05 0.06 0.00 0.00 0.00 0.00 44.72 42.79 2dmp s GLY 80 CO 0.01 2.52 0.69 -1.35 0.00 0.00 0.00 173.10 174.98 2dmp s SER 81 N 4.33 5.36 0.00 1.64 1.04 -1.26 -4.99 113.70 119.82 2dmp s SER 81 Ca 0.39 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dmp s SER 81 Cb -0.04 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2dmp s SER 81 CO -0.01 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2dmp n GLY 82 N -2.11 0.00 0.06 7.32 0.00 -1.26 -5.09 105.19 104.10 2dmp n GLY 82 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2dmp n GLY 82 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dmp h LYS 83 N 0.00 -0.07 -7.02 1.61 3.11 -2.05 -3.46 116.57 108.69 2dmp h LYS 83 Ca 0.00 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.37 2dmp h LYS 83 Cb 0.00 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2dmp h LYS 83 CO 0.00 -0.04 0.26 0.45 -2.81 0.00 0.00 179.45 177.30 2dmp s SER 84 N -4.79 6.62 0.00 4.20 0.15 -1.26 -5.06 113.70 113.56 2dmp s SER 84 Ca -0.01 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2dmp s SER 84 Cb 0.00 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2dmp s SER 84 CO 0.03 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.61 2dmp n GLY 85 N -1.31 4.29 3.77 9.45 0.00 -1.26 -5.16 105.19 114.96 2dmp n GLY 85 Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 2.37 2.27 0.36 1.61 0.04 -1.26 -5.07 135.00 135.32 2dmp s PRO 86 Ca 0.00 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.07 2dmp s PRO 86 Cb 0.00 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2dmp s PRO 86 CO 0.00 -1.64 0.74 -1.12 0.04 0.00 0.00 177.00 175.02 2dmp s SER 87 N -3.36 0.08 -0.21 6.66 0.01 -1.26 -5.16 113.70 110.46 2dmp s SER 87 Ca 0.61 -1.12 -0.05 0.00 1.31 0.00 0.00 55.95 56.71 2dmp s SER 87 Cb -0.17 0.81 0.11 0.00 0.21 0.00 0.00 66.02 66.97 2dmp s SER 87 CO 0.56 -1.59 0.37 -0.44 0.41 0.00 0.00 173.24 172.54 2dmp s SER 88 N -3.07 0.14 0.00 2.44 0.01 -1.26 -5.37 113.70 106.59 2dmp s SER 88 Ca 0.17 0.53 0.26 0.00 1.31 0.00 0.00 55.95 58.22 2dmp s SER 88 Cb -0.05 1.11 1.57 0.00 0.21 0.00 0.00 66.02 68.86 2dmp s SER 88 CO 0.12 -0.27 1.92 0.61 0.41 0.00 0.00 173.24 176.03