#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 1.17 0.09 1.61 0.01 -1.26 -5.07 113.70 110.26 2dmp s SER 2 Ca 0.00 -0.85 -0.32 0.00 1.31 0.00 0.00 55.95 56.08 2dmp s SER 2 Cb 0.00 0.06 -0.14 0.00 0.21 0.00 0.00 66.02 66.15 2dmp s SER 2 CO 0.00 -0.35 1.60 0.77 0.41 0.00 0.00 173.24 175.67 2dmp h SER 3 N 3.46 -1.05 0.00 2.44 4.64 -2.09 -3.44 113.55 117.52 2dmp h SER 3 Ca -0.36 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2dmp h SER 3 Cb 1.18 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 2dmp h SER 3 CO 0.56 -0.54 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2dmp n GLY 4 N -1.49 -1.81 0.47 -0.77 0.00 -1.26 -5.06 105.19 95.28 2dmp n GLY 4 Ca -0.10 0.86 -0.17 0.00 0.00 0.00 0.00 46.02 46.61 2dmp n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmp h SER 5 N 0.00 -1.35 -4.03 1.61 4.64 -2.00 -3.42 113.55 109.00 2dmp h SER 5 Ca 0.00 0.12 -0.51 0.00 -0.47 0.00 0.00 61.79 60.93 2dmp h SER 5 Cb 0.00 0.47 0.07 0.00 -0.31 0.00 0.00 62.40 62.63 2dmp h SER 5 CO 0.00 -0.60 0.48 -0.94 -0.87 0.00 0.00 176.83 174.90 2dmp s SER 6 N -4.51 6.00 0.00 4.97 1.04 -1.26 -4.80 113.70 115.14 2dmp s SER 6 Ca -0.17 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2dmp s SER 6 Cb 0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dmp s SER 6 CO 0.61 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2dmp n GLY 7 N 0.39 0.92 2.99 7.32 0.00 -1.26 -5.03 105.19 110.52 2dmp n GLY 7 Ca 0.09 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.12 2.50 0.02 4.61 0.00 -1.26 -4.75 121.76 121.76 2dmp s ALA 8 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 49.62 2dmp s ALA 8 Cb 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 23.12 21.22 2dmp s ALA 8 CO 0.00 -1.48 1.20 1.88 0.00 0.00 0.00 175.76 177.36 2dmp h TYR 9 N 7.76 -0.97 -2.81 0.00 -1.99 -1.94 -3.41 116.97 113.61 2dmp h TYR 9 Ca -0.11 -0.02 -0.57 0.00 2.00 0.00 0.00 58.73 60.02 2dmp h TYR 9 Cb 1.03 0.32 -0.03 0.00 2.00 0.00 0.00 36.73 40.05 2dmp h TYR 9 CO 0.50 -0.60 1.23 -1.25 -0.00 0.00 0.00 178.16 178.03 2dmp s PRO 10 N -4.94 3.40 1.07 4.88 0.04 -1.26 -5.00 135.00 133.18 2dmp s PRO 10 Ca -0.15 1.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 2dmp s PRO 10 Cb 0.02 -4.16 0.22 0.00 0.04 0.00 0.00 34.50 30.62 2dmp s PRO 10 CO 0.46 -1.78 1.12 0.34 0.04 0.00 0.00 177.00 177.18 2dmp s ASP 11 N 5.56 2.08 0.30 6.66 2.15 -1.26 -5.05 116.67 127.11 2dmp s ASP 11 Ca 0.75 0.85 -0.02 0.00 0.43 0.00 0.00 52.55 54.56 2dmp s ASP 11 Cb -0.20 -1.28 -0.04 0.00 -0.30 0.00 0.00 42.92 41.09 2dmp s ASP 11 CO 0.33 -3.43 0.52 0.12 -0.17 0.00 0.00 175.17 172.54 2dmp s PHE 12 N -3.10 3.49 0.16 -5.34 5.36 -1.26 -5.11 117.98 112.17 2dmp s PHE 12 Ca 0.68 0.46 0.10 0.00 -0.96 0.00 0.00 56.93 57.21 2dmp s PHE 12 Cb -0.13 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 2dmp s PHE 12 CO 0.56 0.19 -0.19 0.00 -1.46 0.00 0.00 175.22 174.32 2dmp s ALA 13 N -2.14 2.67 -1.35 11.12 0.00 -1.26 -5.01 121.76 125.78 2dmp s ALA 13 Ca 0.41 -1.50 0.15 0.00 0.00 0.00 0.00 51.96 51.02 2dmp s ALA 13 Cb -0.10 -0.53 0.72 0.00 0.00 0.00 0.00 23.12 23.20 2dmp s ALA 13 CO 0.32 0.50 1.41 -0.35 0.00 0.00 0.00 175.76 177.64 2dmp n PRO 14 N 0.43 0.17 -1.13 0.00 -0.04 -1.26 -4.79 135.00 128.37 2dmp n PRO 14 Ca -0.14 0.17 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 2dmp n PRO 14 Cb 0.55 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 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 -2.65 -0.59 -1.46 0.54 -0.21 -1.26 -4.02 119.66 110.01 2dmp s GLN 15 Ca 0.13 0.13 -0.10 0.00 0.02 0.00 0.00 55.36 55.53 2dmp s GLN 15 Cb 0.10 -1.65 0.04 0.00 1.00 0.00 0.00 33.01 32.50 2dmp s GLN 15 CO 0.23 -3.33 0.98 1.17 -2.12 0.00 0.00 175.29 172.21 2dmp n LYS 16 N -4.53 -6.26 -3.52 2.91 4.81 -1.26 -4.97 118.16 105.34 2dmp n LYS 16 Ca 0.10 0.72 -0.22 0.00 -0.87 0.00 0.00 58.31 58.04 2dmp n LYS 16 Cb 0.59 -5.67 -0.14 0.00 0.02 0.00 0.00 35.03 29.83 2dmp n LYS 16 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2dmp s PHE 17 N -3.26 -0.07 -0.15 5.64 2.19 -1.26 -4.99 117.98 116.08 2dmp s PHE 17 Ca 0.57 -0.17 0.17 0.00 0.33 0.00 0.00 56.93 57.82 2dmp s PHE 17 Cb -0.27 -0.56 -0.24 0.00 -1.31 0.00 0.00 43.02 40.63 2dmp s PHE 17 CO 0.70 -0.66 0.27 1.17 1.83 0.00 0.00 175.22 178.53 2dmp n LYS 18 N 5.29 0.67 0.00 10.12 3.00 -1.26 -4.10 118.16 131.88 2dmp n LYS 18 Ca -0.06 0.06 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 2dmp n LYS 18 Cb 0.48 -1.60 0.38 0.00 0.00 0.00 0.00 35.03 34.29 2dmp n LYS 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2dmp n GLU 19 N -2.80 0.37 -3.96 1.64 -0.58 -1.26 -4.75 120.64 109.30 2dmp n GLU 19 Ca -0.26 0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.41 2dmp n GLU 19 Cb 1.09 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 2dmp n GLU 19 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2dmp s LYS 20 N -2.12 1.84 0.06 3.49 1.02 -1.26 -5.14 119.74 117.63 2dmp s LYS 20 Ca 0.18 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.81 2dmp s LYS 20 Cb 0.09 0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 37.89 2dmp s LYS 20 CO 0.16 -0.80 -0.08 -0.08 -0.92 0.00 0.00 175.35 173.62 2dmp s THR 21 N -3.35 0.66 0.25 2.17 -1.32 -1.26 -4.87 115.64 107.92 2dmp s THR 21 Ca 0.21 -1.28 0.07 0.00 -1.21 0.00 0.00 61.69 59.48 2dmp s THR 21 Cb -0.02 -0.88 0.30 0.00 -1.51 0.00 0.00 72.50 70.38 2dmp s THR 21 CO 0.12 -0.45 1.19 0.00 -2.21 0.00 0.00 174.62 173.27 2dmp n GLN 22 N 1.14 -0.05 0.21 7.08 6.02 -1.26 -0.13 117.38 130.39 2dmp n GLN 22 Ca -0.20 1.10 -0.15 0.00 -0.01 0.00 0.00 57.00 57.73 2dmp n GLN 22 Cb 0.56 -1.84 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 2dmp n GLN 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2dmp h GLY 23 N 0.00 -1.19 0.46 1.08 0.00 -1.98 0.26 103.07 101.69 2dmp h GLY 23 Ca 0.53 0.57 -0.01 0.00 0.00 0.00 0.00 47.33 48.43 2dmp h GLY 23 CO -0.66 -0.34 -0.49 1.46 0.00 0.00 0.00 176.54 176.50 2dmp h GLN 24 N -0.82 -0.89 -0.67 4.80 4.20 -0.87 -1.72 115.11 119.14 2dmp h GLN 24 Ca -0.04 0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.87 2dmp h GLN 24 Cb 0.73 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 28.60 2dmp h GLN 24 CO -0.10 -0.59 -0.01 0.28 -0.67 0.00 0.00 178.83 177.74 2dmp h VAL 25 N -0.92 0.43 -1.01 -0.54 2.07 -1.32 0.18 116.25 115.14 2dmp h VAL 25 Ca -0.04 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2dmp h VAL 25 Cb 0.83 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2dmp h VAL 25 CO -0.11 0.02 0.64 0.50 0.02 0.00 0.00 177.57 178.64 2dmp h LYS 26 N 0.11 0.98 -0.57 1.57 3.64 -0.07 0.21 116.57 122.44 2dmp h LYS 26 Ca 0.35 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2dmp h LYS 26 Cb 0.59 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2dmp h LYS 26 CO -0.58 0.65 -0.04 0.82 -2.27 0.00 0.00 179.45 178.03 2dmp h ILE 27 N 1.01 1.26 0.07 2.00 2.04 0.22 -2.42 117.51 121.68 2dmp h ILE 27 Ca 0.50 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2dmp h ILE 27 Cb 0.47 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2dmp h ILE 27 CO -0.26 0.43 -0.03 -0.07 0.00 0.00 0.00 178.15 178.21 2dmp h LEU 28 N 0.93 -0.07 -0.50 1.44 3.38 -0.15 -2.94 115.31 117.40 2dmp h LEU 28 Ca 0.16 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.79 2dmp h LEU 28 Cb 0.59 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 2dmp h LEU 28 CO 0.04 0.42 -0.11 -0.33 0.09 0.00 0.00 178.44 178.54 2dmp h GLU 29 N -0.59 0.01 -0.85 1.13 5.08 -0.65 0.22 114.58 118.93 2dmp h GLU 29 Ca -0.01 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2dmp h GLU 29 Cb 0.51 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 2dmp h GLU 29 CO 0.01 0.01 0.50 0.22 -1.00 0.00 0.00 179.01 178.75 2dmp h ASP 30 N 0.01 0.71 0.26 1.42 1.82 -1.48 0.29 116.42 119.45 2dmp h ASP 30 Ca 0.24 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 2dmp h ASP 30 Cb 0.37 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2dmp h ASP 30 CO -0.51 0.40 -0.12 -1.28 -1.61 0.00 0.00 179.24 176.12 2dmp h SER 31 N 0.82 -0.29 0.36 2.28 0.87 -0.84 -3.13 113.55 113.61 2dmp h SER 31 Ca 0.41 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2dmp h SER 31 Cb 0.39 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2dmp h SER 31 CO -0.25 0.12 -0.21 0.15 -0.53 0.00 0.00 176.83 176.11 2dmp h PHE 32 N -0.77 -0.56 -0.97 2.24 3.57 -0.35 -0.31 116.94 119.79 2dmp h PHE 32 Ca -0.04 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.80 2dmp h PHE 32 Cb 0.50 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.34 2dmp h PHE 32 CO 0.04 -0.32 0.62 1.28 -2.23 0.00 0.00 178.31 177.70 2dmp n LEU 33 N -3.60 0.16 -0.04 0.59 4.77 0.10 0.88 117.00 119.87 2dmp n LEU 33 Ca -0.07 1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.85 2dmp n LEU 33 Cb 0.22 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 2dmp n LEU 33 CO 0.15 -1.10 0.23 0.11 -1.33 0.00 0.00 177.39 175.45 2dmp h LYS 34 N 0.00 -0.04 -2.77 3.23 1.57 -1.40 -3.45 116.57 113.71 2dmp h LYS 34 Ca 0.63 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 59.02 2dmp h LYS 34 Cb 2.01 0.01 -0.38 0.00 0.08 0.00 0.00 32.23 33.95 2dmp h LYS 34 CO -0.35 0.44 -0.69 -1.12 -0.57 0.00 0.00 179.45 177.16 2dmp s SER 35 N -5.80 1.93 0.28 0.86 0.01 0.25 -5.03 113.70 106.20 2dmp s SER 35 Ca -0.10 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 2dmp s SER 35 Cb -0.01 0.06 0.55 0.00 0.21 0.00 0.00 66.02 66.83 2dmp s SER 35 CO 0.37 -0.34 1.58 0.77 0.41 0.00 0.00 173.24 176.03 2dmp h SER 36 N 8.36 -0.62 -3.29 2.44 4.64 -1.77 -3.26 113.55 120.07 2dmp h SER 36 Ca -0.16 0.26 -0.73 0.00 -0.47 0.00 0.00 61.79 60.69 2dmp h SER 36 Cb 1.14 0.50 -0.27 0.00 -0.31 0.00 0.00 62.40 63.46 2dmp h SER 36 CO 0.29 -0.30 -0.36 -0.36 -0.87 0.00 0.00 176.83 175.24 2dmp s PHE 37 N -6.14 3.33 0.87 4.77 0.08 -1.26 -4.84 117.98 114.79 2dmp s PHE 37 Ca -0.14 -1.49 -0.11 0.00 0.12 0.00 0.00 56.93 55.31 2dmp s PHE 37 Cb 0.26 -3.38 0.11 0.00 -0.57 0.00 0.00 43.02 39.44 2dmp s PHE 37 CO 0.77 -0.93 1.09 -1.25 -0.10 0.00 0.00 175.22 174.80 2dmp s PRO 38 N 1.48 1.47 0.21 0.24 0.04 -1.23 -5.06 135.00 132.15 2dmp s PRO 38 Ca 0.04 0.89 0.05 0.00 0.04 0.00 0.00 61.00 62.02 2dmp s PRO 38 Cb -0.26 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2dmp s PRO 38 CO 0.02 -2.11 0.28 -0.08 0.04 0.00 0.00 177.00 175.15 2dmp s THR 39 N -2.93 5.01 0.32 1.26 -1.32 -1.26 -4.86 115.64 111.85 2dmp s THR 39 Ca 0.63 -1.01 0.07 0.00 -1.21 0.00 0.00 61.69 60.17 2dmp s THR 39 Cb -0.18 -3.66 0.36 0.00 -1.51 0.00 0.00 72.50 67.52 2dmp s THR 39 CO 0.57 -0.24 1.60 1.56 -2.21 0.00 0.00 174.62 175.90 2dmp h GLN 40 N 1.65 0.09 0.09 7.08 1.08 -1.99 0.32 115.11 123.43 2dmp h GLN 40 Ca -0.50 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2dmp h GLN 40 Cb 1.22 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2dmp h GLN 40 CO 0.63 0.06 -0.04 0.00 -0.95 0.00 0.00 178.83 178.53 2dmp h ALA 41 N 1.92 -0.12 0.20 3.87 0.00 -1.99 -1.28 119.26 121.86 2dmp h ALA 41 Ca 0.66 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 2dmp h ALA 41 Cb 1.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2dmp h ALA 41 CO -0.78 -0.52 -0.10 1.49 0.00 0.00 0.00 179.25 179.33 2dmp h GLU 42 N -0.20 -0.26 -0.81 0.00 4.57 -0.83 -2.79 114.58 114.25 2dmp h GLU 42 Ca -0.01 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 2dmp h GLU 42 Cb 0.17 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 28.68 2dmp h GLU 42 CO 0.02 -0.17 -0.40 -0.07 -1.18 0.00 0.00 179.01 177.21 2dmp h LEU 43 N -0.27 -1.43 -0.98 1.64 3.38 -1.14 0.52 115.31 117.03 2dmp h LEU 43 Ca -0.03 0.28 0.33 0.00 0.09 0.00 0.00 57.88 58.55 2dmp h LEU 43 Cb 0.21 0.71 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 2dmp h LEU 43 CO 0.04 -0.30 0.45 -0.78 0.09 0.00 0.00 178.44 177.94 2dmp h ASP 44 N -0.09 0.27 -0.24 -0.43 1.82 -1.22 0.62 116.42 117.16 2dmp h ASP 44 Ca 0.27 0.22 -0.20 0.00 -0.39 0.00 0.00 57.03 56.93 2dmp h ASP 44 Cb 0.56 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.81 2dmp h ASP 44 CO -0.85 -0.24 -0.64 -0.09 -1.61 0.00 0.00 179.24 175.81 2dmp h ARG 45 N 0.19 0.85 0.29 0.28 2.43 0.28 -3.30 114.38 115.40 2dmp h ARG 45 Ca 0.72 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2dmp h ARG 45 Cb 1.67 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 2dmp h ARG 45 CO -0.69 1.22 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.64 2dmp h LEU 46 N 0.62 -0.77 -0.80 3.80 3.38 0.14 -2.16 115.31 119.52 2dmp h LEU 46 Ca -0.01 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.29 2dmp h LEU 46 Cb 1.26 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 42.12 2dmp h LEU 46 CO 0.14 -0.37 0.18 0.54 0.09 0.00 0.00 178.44 179.02 2dmp n ARG 47 N -4.07 -0.06 0.07 1.13 1.74 -0.66 0.29 116.66 115.11 2dmp n ARG 47 Ca -0.07 1.17 -0.03 0.00 -0.77 0.00 0.00 57.85 58.15 2dmp n ARG 47 Cb 0.26 -1.95 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 2dmp n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2dmp h VAL 48 N 0.00 0.00 -0.30 1.55 2.07 -1.51 2.04 116.25 120.10 2dmp h VAL 48 Ca 0.57 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 68.13 2dmp h VAL 48 Cb 1.33 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 2dmp h VAL 48 CO -0.70 0.00 -0.27 -0.33 0.02 0.00 0.00 177.57 176.29 2dmp h GLU 49 N -0.20 -0.24 0.00 1.57 4.39 -0.42 0.20 114.58 119.88 2dmp h GLU 49 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dmp h GLU 49 Cb 0.14 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2dmp h GLU 49 CO 0.03 -0.16 0.00 0.25 -1.16 0.00 0.00 179.01 177.97 2dmp n THR 50 N -5.39 0.50 -3.78 1.13 -2.24 0.15 -4.87 114.28 99.77 2dmp n THR 50 Ca -0.00 0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 2dmp n THR 50 Cb 0.31 -0.75 0.02 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 -1.63 -4.82 -4.61 -0.78 4.76 0.65 -4.89 118.16 106.84 2dmp n LYS 51 Ca 0.05 0.59 -0.28 0.00 -2.87 0.00 0.00 58.31 55.80 2dmp n LYS 51 Cb 0.27 -5.16 -0.10 0.00 -1.84 0.00 0.00 35.03 28.21 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 -6.83 2.47 0.62 -0.35 1.43 0.14 -4.98 118.68 111.17 2dmp s LEU 52 Ca 0.13 -1.49 0.06 0.00 -1.03 0.00 0.00 54.13 51.81 2dmp s LEU 52 Cb -0.07 -0.65 0.10 0.00 0.03 0.00 0.00 46.19 45.60 2dmp s LEU 52 CO 0.83 -0.65 0.85 -0.44 0.23 0.00 0.00 176.35 177.17 2dmp s SER 53 N -3.70 4.86 0.17 2.29 0.01 -1.26 -4.52 113.70 111.55 2dmp s SER 53 Ca 0.26 -0.67 -0.10 0.00 1.31 0.00 0.00 55.95 56.75 2dmp s SER 53 Cb 0.06 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.51 2dmp s SER 53 CO 0.13 -1.50 1.63 0.03 0.41 0.00 0.00 173.24 173.93 2dmp h ARG 54 N -0.05 1.03 -0.16 12.44 2.47 -1.99 -3.02 114.38 125.09 2dmp h ARG 54 Ca -0.32 -0.33 -0.05 0.00 -1.26 0.00 0.00 59.98 58.02 2dmp h ARG 54 Cb 1.28 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2dmp h ARG 54 CO 0.41 1.02 -0.08 -0.09 0.56 0.00 0.00 179.97 181.79 2dmp h ARG 55 N 0.92 0.34 -0.23 0.04 2.43 -1.99 -2.20 114.38 113.69 2dmp h ARG 55 Ca 0.16 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2dmp h ARG 55 Cb 0.57 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 2dmp h ARG 55 CO 0.03 0.66 -0.36 0.93 -1.51 0.00 0.00 179.97 179.72 2dmp h GLU 56 N 0.02 -0.27 0.07 0.20 4.39 -1.94 -2.25 114.58 114.80 2dmp h GLU 56 Ca 0.04 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dmp h GLU 56 Cb 0.56 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2dmp h GLU 56 CO 0.02 -0.18 -0.17 0.82 -1.16 0.00 0.00 179.01 178.35 2dmp h ILE 57 N -0.28 0.61 -0.79 3.13 2.04 -1.61 -2.30 117.51 118.31 2dmp h ILE 57 Ca 0.04 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.20 2dmp h ILE 57 Cb 0.40 0.61 -0.14 0.00 -0.74 0.00 0.00 36.82 36.94 2dmp h ILE 57 CO -0.36 0.00 0.29 -0.67 0.00 0.00 0.00 178.15 177.41 2dmp n ASP 58 N -5.30 0.16 0.08 1.72 2.03 -0.83 0.55 116.55 114.97 2dmp n ASP 58 Ca -0.06 1.33 -0.12 0.00 0.52 0.00 0.00 54.79 56.46 2dmp n ASP 58 Cb 0.21 -0.59 -0.08 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.22 -0.72 1.67 0.87 -0.86 -1.79 113.55 112.51 2dmp h SER 59 Ca 0.61 -0.30 0.11 0.00 -1.23 0.00 0.00 61.79 60.97 2dmp h SER 59 Cb 1.53 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 63.42 2dmp h SER 59 CO -0.65 0.26 -0.42 -0.25 -0.53 0.00 0.00 176.83 175.24 2dmp h TRP 60 N -0.80 -1.22 0.38 2.24 7.01 0.31 -0.78 115.95 123.09 2dmp h TRP 60 Ca -0.03 0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2dmp h TRP 60 Cb 0.52 0.64 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2dmp h TRP 60 CO 0.07 -0.41 -0.18 0.74 -2.79 0.00 0.00 178.44 175.87 2dmp h PHE 61 N -0.14 -0.47 -0.99 2.65 -1.00 -1.38 0.34 116.94 115.94 2dmp h PHE 61 Ca 0.23 -0.01 0.17 0.00 2.81 0.00 0.00 57.97 61.17 2dmp h PHE 61 Cb 0.56 0.16 -0.17 0.00 3.61 0.00 0.00 35.95 40.10 2dmp h PHE 61 CO -0.76 -0.23 -0.33 0.43 -1.61 0.00 0.00 178.31 175.81 2dmp n SER 62 N -5.27 -0.52 0.06 2.17 7.64 -0.62 -0.31 113.62 116.77 2dmp n SER 62 Ca -0.11 1.72 -0.12 0.00 1.01 0.00 0.00 58.87 61.37 2dmp n SER 62 Cb 0.25 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.91 2dmp n SER 62 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2dmp h GLU 63 N 0.00 -0.20 -1.07 1.43 3.07 -1.10 -3.19 114.58 113.52 2dmp h GLU 63 Ca 0.40 0.01 0.37 0.00 -0.50 0.00 0.00 59.36 59.64 2dmp h GLU 63 Cb 0.65 0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.46 2dmp h GLU 63 CO -1.00 0.23 0.63 -0.09 -1.40 0.00 0.00 179.01 177.38 2dmp h ARG 64 N -0.74 0.20 -0.65 2.33 9.65 0.66 0.66 114.38 126.49 2dmp h ARG 64 Ca -0.02 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2dmp h ARG 64 Cb 0.52 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 2dmp h ARG 64 CO 0.03 0.13 0.40 0.00 2.80 0.00 0.00 179.97 183.34 2dmp h ARG 65 N 0.21 0.77 -0.95 0.20 3.08 -0.65 -2.08 114.38 114.95 2dmp h ARG 65 Ca 0.77 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.87 2dmp h ARG 65 Cb 1.99 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 31.79 2dmp h ARG 65 CO -0.58 0.51 0.59 0.87 -1.07 0.00 0.00 179.97 180.28 2dmp h LYS 66 N 0.79 0.96 0.74 0.04 6.56 0.29 -1.46 116.57 124.48 2dmp h LYS 66 Ca 0.26 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.76 2dmp h LYS 66 Cb 0.03 -0.22 0.01 0.00 -0.57 0.00 0.00 32.23 31.48 2dmp h LYS 66 CO -0.11 0.64 -0.35 -0.07 -2.06 0.00 0.00 179.45 177.49 2dmp h LEU 67 N 0.99 -0.84 -0.43 2.94 3.38 -1.23 -0.78 115.31 119.34 2dmp h LEU 67 Ca 0.45 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.53 2dmp h LEU 67 Cb 0.36 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2dmp h LEU 67 CO -0.23 -0.60 -0.08 -0.09 0.09 0.00 0.00 178.44 177.53 2dmp h ARG 68 N -0.99 0.02 -0.71 1.13 2.43 -1.20 -1.21 114.38 113.86 2dmp h ARG 68 Ca -0.10 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2dmp h ARG 68 Cb 0.76 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 2dmp h ARG 68 CO 0.17 0.02 0.40 0.22 -1.51 0.00 0.00 179.97 179.26 2dmp h ASP 69 N 0.03 0.59 -5.32 -3.80 3.58 -1.17 -3.47 116.42 106.86 2dmp h ASP 69 Ca 0.21 0.03 -0.34 0.00 0.42 0.00 0.00 57.03 57.35 2dmp h ASP 69 Cb 0.32 -0.08 0.13 0.00 1.72 0.00 0.00 39.33 41.41 2dmp h ASP 69 CO -0.42 0.37 -0.62 -1.20 -2.88 0.00 0.00 179.24 174.49 2dmp n SER 70 N -4.77 -5.15 0.06 2.28 7.64 -0.31 -4.93 113.62 108.45 2dmp n SER 70 Ca 0.10 -0.50 -0.14 0.00 1.01 0.00 0.00 58.87 59.34 2dmp n SER 70 Cb 0.19 -4.57 -0.09 0.00 -1.01 0.00 0.00 64.21 58.73 2dmp n SER 70 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2dmp h MET 71 N -2.28 -0.60 -6.68 1.43 4.05 -1.86 -3.41 114.93 105.57 2dmp h MET 71 Ca -0.51 0.04 -0.56 0.00 -0.28 0.00 0.00 59.70 58.39 2dmp h MET 71 Cb 1.33 0.14 0.08 0.00 -0.80 0.00 0.00 31.60 32.34 2dmp h MET 71 CO 0.49 -0.40 0.76 -0.85 0.23 0.00 0.00 176.91 177.14 2dmp n GLU 72 N -5.15 2.37 -1.92 0.39 0.28 -1.26 -4.94 120.64 110.41 2dmp n GLU 72 Ca -0.07 0.85 -0.36 0.00 -0.16 0.00 0.00 57.16 57.42 2dmp n GLU 72 Cb 0.36 -2.57 0.04 0.00 1.43 0.00 0.00 31.44 30.70 2dmp n GLU 72 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2dmp s GLN 73 N -0.35 2.85 0.17 3.44 -2.07 -1.26 -5.01 119.66 117.43 2dmp s GLN 73 Ca 0.67 1.80 -0.01 0.00 -1.82 0.00 0.00 55.36 55.99 2dmp s GLN 73 Cb -0.57 -1.92 -0.04 0.00 -1.09 0.00 0.00 33.01 29.39 2dmp s GLN 73 CO 0.48 -1.29 0.11 0.00 -1.32 0.00 0.00 175.29 173.27 2dmp s ALA 74 N -1.68 1.01 0.09 2.60 0.00 -1.26 -5.14 121.76 117.38 2dmp s ALA 74 Ca 0.77 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 2dmp s ALA 74 Cb -0.30 1.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 2dmp s ALA 74 CO 0.35 -0.56 0.89 0.08 0.00 0.00 0.00 175.76 176.52 2dmp s VAL 75 N -4.11 4.56 0.32 0.00 1.01 -1.26 -4.92 120.40 116.00 2dmp s VAL 75 Ca 0.33 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.93 2dmp s VAL 75 Cb 0.07 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 2dmp s VAL 75 CO 0.08 0.35 1.29 -0.22 0.00 0.00 0.00 175.10 176.60 2dmp s LEU 76 N -0.10 4.44 0.37 3.92 2.96 -1.26 -4.93 118.68 124.08 2dmp s LEU 76 Ca 0.43 2.65 0.08 0.00 -0.22 0.00 0.00 54.13 57.07 2dmp s LEU 76 Cb -0.22 -3.65 -0.05 0.00 0.50 0.00 0.00 46.19 42.77 2dmp s LEU 76 CO 0.27 -0.51 0.13 -0.62 -1.32 0.00 0.00 176.35 174.31 2dmp s ASP 77 N -0.48 4.46 0.89 3.68 2.15 -1.26 -5.12 116.67 120.98 2dmp s ASP 77 Ca 0.49 -0.96 -0.11 0.00 0.43 0.00 0.00 52.55 52.40 2dmp s ASP 77 Cb -0.39 -0.57 0.13 0.00 -0.30 0.00 0.00 42.92 41.79 2dmp s ASP 77 CO 0.51 -0.40 1.11 -0.55 -0.17 0.00 0.00 175.17 175.67 2dmp s SER 78 N -3.85 3.33 0.11 -0.34 0.15 -1.26 -5.04 113.70 106.81 2dmp s SER 78 Ca 0.39 1.91 0.04 0.00 0.70 0.00 0.00 55.95 58.98 2dmp s SER 78 Cb 0.01 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2dmp s SER 78 CO 0.22 -2.79 0.08 -0.04 1.20 0.00 0.00 173.24 171.91 2dmp s MET 79 N -4.76 2.83 0.00 5.44 -1.94 -1.26 -5.05 119.30 114.56 2dmp s MET 79 Ca 0.65 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 2dmp s MET 79 Cb -0.20 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 33.97 2dmp s MET 79 CO 0.58 0.53 0.00 0.41 -0.01 0.00 0.00 175.02 176.53 2dmp n GLY 80 N 0.20 0.59 3.38 -0.03 0.00 -1.26 -5.16 105.19 102.91 2dmp n GLY 80 Ca -0.09 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 1.14 3.06 -0.34 1.61 0.15 -1.26 -5.12 113.70 112.95 2dmp s SER 81 Ca 0.00 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 55.80 2dmp s SER 81 Cb 0.00 -0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.29 2dmp s SER 81 CO 0.00 0.03 0.73 -0.83 1.20 0.00 0.00 173.24 174.37 2dmp s GLY 82 N -2.73 -1.25 -0.04 9.45 0.00 -1.26 -5.15 107.32 106.34 2dmp s GLY 82 Ca 0.19 0.95 0.03 0.00 0.00 0.00 0.00 44.72 45.89 2dmp s GLY 82 CO 0.09 3.82 -0.11 0.54 0.00 0.00 0.00 173.10 177.44 2dmp s LYS 83 N 2.41 1.23 -0.24 2.90 -0.14 -1.26 -5.13 119.74 119.51 2dmp s LYS 83 Ca 0.15 -0.37 -0.05 0.00 -1.36 0.00 0.00 55.97 54.34 2dmp s LYS 83 Cb -0.05 -1.10 -0.01 0.00 -1.68 0.00 0.00 37.83 34.98 2dmp s LYS 83 CO -0.18 0.11 0.01 -1.54 -0.76 0.00 0.00 175.35 173.00 2dmp s SER 84 N 0.29 4.70 0.37 2.83 1.04 -1.26 -5.07 113.70 116.60 2dmp s SER 84 Ca -0.06 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 55.80 2dmp s SER 84 Cb -0.11 -1.82 -0.16 0.00 0.10 0.00 0.00 66.02 64.03 2dmp s SER 84 CO 0.01 -0.04 0.18 0.61 0.98 0.00 0.00 173.24 174.98 2dmp n GLY 85 N 4.85 -2.51 3.62 7.32 0.00 -1.26 -4.93 105.19 112.28 2dmp n GLY 85 Ca -0.17 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.03 -0.71 -0.04 1.61 0.04 -1.26 -5.09 135.00 128.52 2dmp s PRO 86 Ca 0.60 0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 2dmp s PRO 86 Cb -0.68 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.23 2dmp s PRO 86 CO 0.61 -3.41 0.14 -1.54 0.04 0.00 0.00 177.00 172.85 2dmp s SER 87 N -3.74 -0.09 0.15 6.66 1.04 -1.26 -5.17 113.70 111.29 2dmp s SER 87 Ca 0.69 0.13 0.04 0.00 0.48 0.00 0.00 55.95 57.29 2dmp s SER 87 Cb -0.13 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 2dmp s SER 87 CO 0.57 -0.15 -0.10 -0.55 0.98 0.00 0.00 173.24 173.98 2dmp s SER 88 N -0.40 1.79 0.00 7.02 0.15 -1.26 -5.34 113.70 115.66 2dmp s SER 88 Ca -0.05 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.64 2dmp s SER 88 Cb -0.03 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 2dmp s SER 88 CO 0.01 -0.34 0.67 0.61 1.20 0.00 0.00 173.24 175.39