#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 -0.87 0.00 1.61 4.64 -2.10 -2.85 113.55 113.98 2dmp h SER 2 Ca 0.00 0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2dmp h SER 2 Cb 0.00 0.50 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2dmp h SER 2 CO 0.00 -0.26 -0.02 0.28 -0.87 0.00 0.00 176.83 175.95 2dmp h SER 3 N -0.06 0.00 0.00 4.97 0.02 -2.10 -3.48 113.55 112.90 2dmp h SER 3 Ca 0.30 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2dmp h SER 3 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2dmp h SER 3 CO -0.73 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 2dmp n GLY 4 N 1.67 1.32 3.80 -3.77 0.00 -1.08 -4.70 105.19 102.44 2dmp n GLY 4 Ca -0.07 0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.00 6.63 1.28 1.61 0.01 -1.26 -5.03 113.70 112.94 2dmp s SER 5 Ca 0.00 1.88 -0.19 0.00 1.31 0.00 0.00 55.95 58.95 2dmp s SER 5 Cb 0.00 -2.56 0.32 0.00 0.21 0.00 0.00 66.02 63.99 2dmp s SER 5 CO 0.00 -0.58 1.01 -0.55 0.41 0.00 0.00 173.24 173.53 2dmp s SER 6 N -1.93 0.13 0.00 2.44 0.15 -1.26 -5.05 113.70 108.18 2dmp s SER 6 Ca 0.63 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2dmp s SER 6 Cb -0.16 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2dmp s SER 6 CO 0.20 -4.64 0.00 0.61 1.20 0.00 0.00 173.24 170.61 2dmp n GLY 7 N 0.35 1.13 3.59 9.45 0.00 -1.26 -4.91 105.19 113.53 2dmp n GLY 7 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2dmp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmp n ALA 8 N -3.00 -1.58 0.32 4.61 0.00 -1.26 -4.92 120.51 114.68 2dmp n ALA 8 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.45 2dmp n ALA 8 Cb 0.00 -4.20 -0.10 0.00 0.00 0.00 0.00 19.45 15.15 2dmp n ALA 8 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2dmp h TYR 9 N -2.34 -1.36 -3.49 0.00 3.20 -2.04 -3.42 116.97 107.53 2dmp h TYR 9 Ca -0.58 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 60.77 2dmp h TYR 9 Cb 1.36 0.52 0.03 0.00 1.54 0.00 0.00 36.73 40.19 2dmp h TYR 9 CO 0.49 -0.68 0.63 -1.25 -1.64 0.00 0.00 178.16 175.71 2dmp s PRO 10 N -5.90 4.41 0.75 1.82 0.04 -1.26 -5.03 135.00 129.83 2dmp s PRO 10 Ca -0.18 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 2dmp s PRO 10 Cb 0.04 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.48 2dmp s PRO 10 CO 0.61 -0.20 1.08 -0.51 0.04 0.00 0.00 177.00 178.01 2dmp s ASP 11 N 0.13 4.57 -0.34 6.66 1.01 -1.26 -5.06 116.67 122.37 2dmp s ASP 11 Ca 0.55 0.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.25 2dmp s ASP 11 Cb -0.36 -1.01 0.08 0.00 1.01 0.00 0.00 42.92 42.63 2dmp s ASP 11 CO 0.40 -1.78 0.08 0.12 0.21 0.00 0.00 175.17 174.20 2dmp s PHE 12 N -3.37 3.44 0.02 4.23 5.36 -1.26 -5.09 117.98 121.31 2dmp s PHE 12 Ca 0.62 -2.19 0.03 0.00 -0.96 0.00 0.00 56.93 54.43 2dmp s PHE 12 Cb -0.10 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 2dmp s PHE 12 CO 0.46 -0.88 -0.10 0.00 -1.46 0.00 0.00 175.22 173.24 2dmp s ALA 13 N 1.17 0.83 0.86 11.12 0.00 -1.26 -5.15 121.76 129.34 2dmp s ALA 13 Ca 0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 2dmp s ALA 13 Cb -0.21 -0.14 0.11 0.00 0.00 0.00 0.00 23.12 22.88 2dmp s ALA 13 CO -0.03 0.15 1.09 -1.25 0.00 0.00 0.00 175.76 175.73 2dmp s PRO 14 N -0.74 1.51 0.19 0.00 0.04 -1.26 -5.08 135.00 129.67 2dmp s PRO 14 Ca 0.00 0.90 -0.22 0.00 0.04 0.00 0.00 61.00 61.73 2dmp s PRO 14 Cb -0.06 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.70 2dmp s PRO 14 CO 0.00 -2.09 0.62 1.14 0.04 0.00 0.00 177.00 176.71 2dmp s GLN 15 N -4.93 1.41 0.10 4.56 -2.07 -1.26 -5.19 119.66 112.29 2dmp s GLN 15 Ca 0.63 -0.65 0.01 0.00 -1.82 0.00 0.00 55.36 53.53 2dmp s GLN 15 Cb -0.18 0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 2dmp s GLN 15 CO 0.57 -0.63 -0.04 0.15 -1.32 0.00 0.00 175.29 174.02 2dmp s LYS 16 N -3.81 0.82 -0.03 9.60 1.02 -1.26 -5.16 119.74 120.92 2dmp s LYS 16 Ca 0.04 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 54.68 2dmp s LYS 16 Cb -0.02 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.24 2dmp s LYS 16 CO -0.07 -0.08 0.07 -0.06 -0.92 0.00 0.00 175.35 174.30 2dmp s PHE 17 N -3.74 -0.06 0.12 3.18 0.40 -1.26 -4.72 117.98 111.89 2dmp s PHE 17 Ca 0.13 0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.64 2dmp s PHE 17 Cb 0.06 -0.09 -0.06 0.00 0.51 0.00 0.00 43.02 43.44 2dmp s PHE 17 CO -0.04 -0.09 0.38 0.21 0.70 0.00 0.00 175.22 176.38 2dmp s LYS 18 N 0.69 3.67 0.05 0.44 2.47 -1.26 -5.11 119.74 120.69 2dmp s LYS 18 Ca -0.05 0.01 0.05 0.00 -1.56 0.00 0.00 55.97 54.42 2dmp s LYS 18 Cb -0.08 -2.90 -0.02 0.00 -1.46 0.00 0.00 37.83 33.37 2dmp s LYS 18 CO -0.03 0.50 -0.15 -2.00 0.16 0.00 0.00 175.35 173.84 2dmp s GLU 19 N -2.38 0.96 0.70 4.03 2.56 -1.26 -5.06 118.70 118.25 2dmp s GLU 19 Ca 0.38 -0.81 -0.11 0.00 0.00 0.00 0.00 54.97 54.43 2dmp s GLU 19 Cb -0.13 -0.98 0.01 0.00 2.00 0.00 0.00 34.13 35.03 2dmp s GLU 19 CO 0.22 0.24 1.08 0.15 -0.56 0.00 0.00 175.26 176.39 2dmp s LYS 20 N -1.24 2.92 0.38 4.30 1.02 -1.26 -5.05 119.74 120.81 2dmp s LYS 20 Ca 0.02 0.57 -0.19 0.00 0.02 0.00 0.00 55.97 56.38 2dmp s LYS 20 Cb -0.08 -2.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.11 2dmp s LYS 20 CO 0.01 -1.01 0.87 0.95 -0.92 0.00 0.00 175.35 175.25 2dmp s THR 21 N -3.28 4.49 0.20 2.17 -4.23 -1.26 -4.89 115.64 108.84 2dmp s THR 21 Ca 0.58 1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 62.25 2dmp s THR 21 Cb -0.12 -3.62 0.20 0.00 1.34 0.00 0.00 72.50 70.30 2dmp s THR 21 CO 0.53 -0.24 1.64 1.56 -0.54 0.00 0.00 174.62 177.57 2dmp h GLN 22 N 2.11 0.04 0.05 3.99 1.08 -1.98 -0.90 115.11 119.50 2dmp h GLN 22 Ca -0.48 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.74 2dmp h GLN 22 Cb 1.18 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.55 2dmp h GLN 22 CO 0.63 0.02 -0.43 0.78 -0.95 0.00 0.00 178.83 178.88 2dmp h GLY 23 N 0.04 -0.84 0.46 3.46 0.00 -1.98 0.41 103.07 104.61 2dmp h GLY 23 Ca 0.29 0.52 -0.01 0.00 0.00 0.00 0.00 47.33 48.13 2dmp h GLY 23 CO -0.57 -0.25 -0.46 1.46 0.00 0.00 0.00 176.54 176.71 2dmp h GLN 24 N -0.62 -0.88 -0.99 4.80 4.20 -1.73 -2.03 115.11 117.86 2dmp h GLN 24 Ca 0.03 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.01 2dmp h GLN 24 Cb 0.67 0.20 -0.10 0.00 0.30 0.00 0.00 27.48 28.56 2dmp h GLN 24 CO -0.29 -0.59 0.62 0.28 -0.67 0.00 0.00 178.83 178.18 2dmp h VAL 25 N -0.92 0.67 -0.95 -0.54 2.07 -1.07 0.11 116.25 115.63 2dmp h VAL 25 Ca -0.06 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2dmp h VAL 25 Cb 0.79 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2dmp h VAL 25 CO -0.06 0.11 0.62 0.50 0.02 0.00 0.00 177.57 178.76 2dmp h LYS 26 N 0.62 1.15 -0.58 1.57 3.11 0.45 0.18 116.57 123.06 2dmp h LYS 26 Ca 0.56 -0.07 -0.07 0.00 -2.81 0.00 0.00 60.65 58.26 2dmp h LYS 26 Cb 1.06 -0.26 -0.03 0.00 -1.00 0.00 0.00 32.23 32.01 2dmp h LYS 26 CO -0.32 0.76 0.10 0.82 -2.81 0.00 0.00 179.45 178.00 2dmp h ILE 27 N 1.19 1.25 0.00 2.00 2.04 -0.11 -1.87 117.51 122.01 2dmp h ILE 27 Ca 0.38 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2dmp h ILE 27 Cb 0.02 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2dmp h ILE 27 CO -0.13 0.35 -0.00 -0.07 0.00 0.00 0.00 178.15 178.30 2dmp h LEU 28 N 0.89 -0.00 -0.96 1.44 3.38 -1.02 -3.12 115.31 115.92 2dmp h LEU 28 Ca 0.18 -0.64 0.14 0.00 0.09 0.00 0.00 57.88 57.65 2dmp h LEU 28 Cb 0.38 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 2dmp h LEU 28 CO 0.01 0.64 0.58 -0.33 0.09 0.00 0.00 178.44 179.43 2dmp h GLU 29 N -0.65 0.83 -0.68 1.13 4.39 -0.65 0.22 114.58 119.18 2dmp h GLU 29 Ca -0.00 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2dmp h GLU 29 Cb 0.65 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2dmp h GLU 29 CO 0.00 0.55 0.42 0.22 -1.16 0.00 0.00 179.01 179.04 2dmp h ASP 30 N 0.86 0.68 -0.08 1.42 1.82 -1.37 0.38 116.42 120.11 2dmp h ASP 30 Ca 0.50 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 57.01 2dmp h ASP 30 Cb 0.59 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2dmp h ASP 30 CO -0.31 0.47 -0.45 0.28 -1.61 0.00 0.00 179.24 177.62 2dmp h SER 31 N 0.81 0.54 0.42 2.28 0.02 -1.10 -3.24 113.55 113.29 2dmp h SER 31 Ca 0.28 -0.65 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2dmp h SER 31 Cb 0.04 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2dmp h SER 31 CO -0.12 1.11 -0.20 0.15 -1.14 0.00 0.00 176.83 176.63 2dmp h PHE 32 N 0.01 -0.53 -0.74 3.45 3.57 -0.40 0.26 116.94 122.57 2dmp h PHE 32 Ca -0.03 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.76 2dmp h PHE 32 Cb 1.10 0.17 -0.13 0.00 2.79 0.00 0.00 35.95 39.88 2dmp h PHE 32 CO 0.12 -0.33 0.38 1.28 -2.23 0.00 0.00 178.31 177.54 2dmp n LEU 33 N -3.80 0.25 -0.03 0.59 4.77 0.13 0.11 117.00 119.01 2dmp n LEU 33 Ca -0.07 1.23 -0.17 0.00 -0.03 0.00 0.00 56.01 56.97 2dmp n LEU 33 Cb 0.22 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 2dmp n LEU 33 CO 0.17 -1.38 0.18 0.11 -1.33 0.00 0.00 177.39 175.14 2dmp h LYS 34 N 0.00 0.10 -2.82 3.23 1.57 -1.55 -3.46 116.57 113.65 2dmp h LYS 34 Ca 0.62 -0.18 -0.26 0.00 -1.87 0.00 0.00 60.65 58.97 2dmp h LYS 34 Cb 1.64 0.07 -0.34 0.00 0.08 0.00 0.00 32.23 33.68 2dmp h LYS 34 CO -0.58 1.08 -0.58 0.45 -0.57 0.00 0.00 179.45 179.26 2dmp s SER 35 N -6.54 0.69 0.21 0.86 0.15 0.29 -5.03 113.70 104.33 2dmp s SER 35 Ca -0.18 0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.70 2dmp s SER 35 Cb -0.01 0.53 0.16 0.00 -1.71 0.00 0.00 66.02 64.99 2dmp s SER 35 CO 0.73 -0.26 1.88 0.77 1.20 0.00 0.00 173.24 177.55 2dmp h SER 36 N 8.31 0.89 -3.13 5.45 4.64 -1.75 -3.29 113.55 124.67 2dmp h SER 36 Ca -0.15 -0.03 -0.73 0.00 -0.47 0.00 0.00 61.79 60.41 2dmp h SER 36 Cb 1.12 -0.22 -0.22 0.00 -0.31 0.00 0.00 62.40 62.77 2dmp h SER 36 CO 0.17 0.66 -0.16 -0.36 -0.87 0.00 0.00 176.83 176.27 2dmp s PHE 37 N -6.10 3.18 0.46 4.77 0.08 -1.26 -4.88 117.98 114.23 2dmp s PHE 37 Ca -0.13 -1.04 -0.08 0.00 0.12 0.00 0.00 56.93 55.80 2dmp s PHE 37 Cb 0.15 -3.64 0.11 0.00 -0.57 0.00 0.00 43.02 39.08 2dmp s PHE 37 CO 0.78 -1.01 0.41 -0.35 -0.10 0.00 0.00 175.22 174.95 2dmp n PRO 38 N 5.54 -1.82 -4.66 0.24 -0.04 -1.26 -5.09 135.00 127.90 2dmp n PRO 38 Ca -0.12 -0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 62.39 2dmp n PRO 38 Cb 0.42 -0.61 -0.09 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.74 1.50 0.10 0.52 -4.23 -1.26 -4.97 115.64 105.56 2dmp s THR 39 Ca 0.27 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.51 2dmp s THR 39 Cb -0.03 -2.59 -0.12 0.00 1.34 0.00 0.00 72.50 71.10 2dmp s THR 39 CO 0.20 0.00 1.67 1.56 -0.54 0.00 0.00 174.62 177.52 2dmp h GLN 40 N 1.62 -0.38 -0.15 3.99 1.08 -2.00 -0.95 115.11 118.33 2dmp h GLN 40 Ca -0.43 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.78 2dmp h GLN 40 Cb 1.27 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.78 2dmp h GLN 40 CO 0.76 -0.25 0.03 0.00 -0.95 0.00 0.00 178.83 178.42 2dmp h ALA 41 N 0.37 0.20 0.03 3.87 0.00 -2.00 -2.77 119.26 118.97 2dmp h ALA 41 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dmp h ALA 41 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dmp h ALA 41 CO -0.03 -0.16 -0.19 1.49 0.00 0.00 0.00 179.25 180.37 2dmp h GLU 42 N 0.04 -0.25 -0.75 0.00 4.57 -1.94 -2.73 114.58 113.53 2dmp h GLU 42 Ca 0.05 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.35 2dmp h GLU 42 Cb 0.28 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.80 2dmp h GLU 42 CO 0.00 -0.17 -0.44 -0.07 -1.18 0.00 0.00 179.01 177.15 2dmp h LEU 43 N -0.26 -1.57 -0.98 1.64 3.38 -1.25 0.44 115.31 116.72 2dmp h LEU 43 Ca -0.00 0.27 0.41 0.00 0.09 0.00 0.00 57.88 58.65 2dmp h LEU 43 Cb 0.26 0.74 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 2dmp h LEU 43 CO -0.10 -0.31 0.53 -0.67 0.09 0.00 0.00 178.44 177.98 2dmp n ASP 44 N -5.40 0.34 0.08 -0.43 -0.08 -1.04 0.21 116.55 110.22 2dmp n ASP 44 Ca 0.04 1.62 -0.13 0.00 -1.51 0.00 0.00 54.79 54.81 2dmp n ASP 44 Cb 0.35 -0.79 -0.05 0.00 2.34 0.00 0.00 41.12 42.96 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 0.36 -0.04 -0.67 2.43 0.13 -3.17 114.38 113.42 2dmp h ARG 45 Ca 0.83 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2dmp h ARG 45 Cb 2.20 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.88 2dmp h ARG 45 CO -0.75 1.10 0.01 -0.07 -1.51 0.00 0.00 179.97 178.75 2dmp h LEU 46 N 0.19 0.06 0.16 3.80 3.38 0.34 -0.95 115.31 122.29 2dmp h LEU 46 Ca -0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2dmp h LEU 46 Cb 1.62 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 2dmp h LEU 46 CO 0.16 0.24 -0.25 0.03 0.09 0.00 0.00 178.44 178.72 2dmp h ARG 47 N -0.12 -0.42 -0.27 1.13 3.08 -0.99 0.23 114.38 117.01 2dmp h ARG 47 Ca 0.01 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2dmp h ARG 47 Cb 0.20 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 2dmp h ARG 47 CO -0.00 -0.28 -0.26 -0.24 -1.07 0.00 0.00 179.97 178.12 2dmp h VAL 48 N -0.44 0.35 0.09 2.04 3.04 -1.61 1.94 116.25 121.66 2dmp h VAL 48 Ca -0.02 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2dmp h VAL 48 Cb 0.40 0.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.01 2dmp h VAL 48 CO -0.08 0.00 -0.32 -0.33 -1.01 0.00 0.00 177.57 175.83 2dmp h GLU 49 N -0.26 -0.45 0.00 4.17 4.39 -1.01 -0.43 114.58 120.99 2dmp h GLU 49 Ca 0.14 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2dmp h GLU 49 Cb 0.48 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2dmp h GLU 49 CO -0.42 -0.30 0.00 0.25 -1.16 0.00 0.00 179.01 177.38 2dmp n THR 50 N -4.27 0.46 -3.51 1.13 -2.24 0.79 -4.87 114.28 101.76 2dmp n THR 50 Ca -0.05 0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.64 2dmp n THR 50 Cb 0.25 -0.82 0.08 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.27 -6.91 -4.44 -0.78 4.76 0.62 -4.88 118.16 105.26 2dmp n LYS 51 Ca 0.09 0.82 -0.22 0.00 -2.87 0.00 0.00 58.31 56.13 2dmp n LYS 51 Cb 0.14 -5.82 -0.10 0.00 -1.84 0.00 0.00 35.03 27.41 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 -6.69 2.07 0.34 -0.35 1.43 0.98 -4.98 118.68 111.48 2dmp s LEU 52 Ca 0.20 -1.43 0.06 0.00 -1.03 0.00 0.00 54.13 51.93 2dmp s LEU 52 Cb -0.09 -0.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 2dmp s LEU 52 CO 0.74 -0.68 0.48 -0.44 0.23 0.00 0.00 176.35 176.68 2dmp s SER 53 N -3.48 5.96 0.24 2.29 0.01 -1.26 -4.32 113.70 113.13 2dmp s SER 53 Ca 0.34 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.38 2dmp s SER 53 Cb 0.08 -1.23 0.46 0.00 0.21 0.00 0.00 66.02 65.54 2dmp s SER 53 CO 0.15 -0.46 1.71 0.03 0.41 0.00 0.00 173.24 175.08 2dmp h ARG 54 N 0.86 0.33 0.32 12.44 2.47 -1.98 -1.88 114.38 126.95 2dmp h ARG 54 Ca -0.46 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.23 2dmp h ARG 54 Cb 1.26 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2dmp h ARG 54 CO 0.53 0.22 -0.15 -0.09 0.56 0.00 0.00 179.97 181.03 2dmp h ARG 55 N 0.34 -0.42 -0.97 0.04 9.65 -1.98 0.16 114.38 121.21 2dmp h ARG 55 Ca 0.41 0.03 0.30 0.00 -1.10 0.00 0.00 59.98 59.62 2dmp h ARG 55 Cb 0.67 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.19 2dmp h ARG 55 CO -0.46 -0.18 0.45 0.93 2.80 0.00 0.00 179.97 183.51 2dmp h GLU 56 N -0.59 0.26 0.04 0.20 4.39 -1.75 0.12 114.58 117.26 2dmp h GLU 56 Ca -0.04 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 2dmp h GLU 56 Cb 0.43 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2dmp h GLU 56 CO 0.07 0.17 -0.39 0.82 -1.16 0.00 0.00 179.01 178.52 2dmp h ILE 57 N 0.27 1.59 -0.92 3.13 2.04 -1.19 -3.22 117.51 119.22 2dmp h ILE 57 Ca 0.68 -2.25 0.27 0.00 1.00 0.00 0.00 64.86 64.56 2dmp h ILE 57 Cb 1.51 3.06 -0.15 0.00 -0.74 0.00 0.00 36.82 40.50 2dmp h ILE 57 CO -0.64 0.62 0.26 0.44 0.00 0.00 0.00 178.15 178.83 2dmp h ASP 58 N -0.56 -0.00 -0.02 1.72 3.32 0.13 0.19 116.42 121.20 2dmp h ASP 58 Ca -0.06 0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2dmp h ASP 58 Cb 1.23 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 2dmp h ASP 58 CO 0.08 -0.21 0.00 0.28 -1.72 0.00 0.00 179.24 177.67 2dmp h SER 59 N 0.17 0.04 -0.62 6.45 0.02 -1.36 0.24 113.55 118.48 2dmp h SER 59 Ca 0.61 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 61.37 2dmp h SER 59 Cb 1.29 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 2dmp h SER 59 CO -0.71 0.27 0.34 -0.25 -1.14 0.00 0.00 176.83 175.34 2dmp h TRP 60 N -0.20 0.62 0.46 3.45 7.01 -0.77 -1.39 115.95 125.14 2dmp h TRP 60 Ca 0.01 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2dmp h TRP 60 Cb 0.25 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2dmp h TRP 60 CO 0.01 0.30 -0.22 0.74 -2.79 0.00 0.00 178.44 176.48 2dmp h PHE 61 N 0.63 -0.57 -0.98 2.65 -1.00 -0.68 -0.36 116.94 116.64 2dmp h PHE 61 Ca 0.28 -0.01 0.33 0.00 2.81 0.00 0.00 57.97 61.37 2dmp h PHE 61 Cb 0.17 0.19 -0.17 0.00 3.61 0.00 0.00 35.95 39.75 2dmp h PHE 61 CO -0.09 -0.36 0.31 0.77 -1.61 0.00 0.00 178.31 177.34 2dmp h SER 62 N -1.07 0.00 -0.00 2.17 0.02 -0.47 0.18 113.55 114.37 2dmp h SER 62 Ca -0.06 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2dmp h SER 62 Cb 0.47 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2dmp h SER 62 CO 0.10 -0.33 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.12 2dmp h GLU 63 N 0.07 0.01 -0.97 3.45 5.08 -1.28 -3.31 114.58 117.63 2dmp h GLU 63 Ca 0.70 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 59.22 2dmp h GLU 63 Cb 1.65 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.73 2dmp h GLU 63 CO -0.79 0.68 -0.31 -2.13 -1.00 0.00 0.00 179.01 175.46 2dmp n ARG 64 N -4.76 -0.16 -0.25 2.33 3.00 0.56 0.96 116.66 118.35 2dmp n ARG 64 Ca -0.09 1.50 0.06 0.00 -0.00 0.00 0.00 57.85 59.31 2dmp n ARG 64 Cb 0.34 -2.23 0.19 0.00 0.00 0.00 0.00 32.46 30.76 2dmp n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dmp h ARG 65 N 0.00 0.35 -0.18 -0.14 3.08 -1.48 -1.57 114.38 114.44 2dmp h ARG 65 Ca 0.40 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.45 2dmp h ARG 65 Cb 0.64 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 2dmp h ARG 65 CO -0.98 0.23 -0.34 0.87 -1.07 0.00 0.00 179.97 178.69 2dmp h LYS 66 N 0.36 -0.28 -0.81 0.04 1.57 0.50 0.14 116.57 118.09 2dmp h LYS 66 Ca 0.42 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.34 2dmp h LYS 66 Cb 0.69 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 2dmp h LYS 66 CO -0.46 -0.19 0.53 1.37 -0.57 0.00 0.00 179.45 180.13 2dmp h LEU 67 N -0.30 0.61 -0.19 2.94 8.10 -1.35 0.20 115.31 125.32 2dmp h LEU 67 Ca 0.03 0.02 0.01 0.00 0.11 0.00 0.00 57.88 58.05 2dmp h LEU 67 Cb 0.39 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2dmp h LEU 67 CO -0.32 0.34 0.11 -0.09 -4.11 0.00 0.00 178.44 174.37 2dmp h ARG 68 N 0.66 0.22 -0.30 0.17 2.43 -0.07 -2.94 114.38 114.55 2dmp h ARG 68 Ca 0.39 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.44 2dmp h ARG 68 Cb 0.59 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2dmp h ARG 68 CO -0.15 0.15 -0.22 0.22 -1.51 0.00 0.00 179.97 178.45 2dmp h ASP 69 N 0.23 0.72 -5.57 -3.80 1.82 0.13 -3.47 116.42 106.48 2dmp h ASP 69 Ca 0.07 -0.44 -0.37 0.00 -0.39 0.00 0.00 57.03 55.90 2dmp h ASP 69 Cb -0.01 -0.20 0.14 0.00 0.68 0.00 0.00 39.33 39.94 2dmp h ASP 69 CO -0.03 1.01 -0.66 -1.20 -1.61 0.00 0.00 179.24 176.75 2dmp n SER 70 N -4.31 -5.60 -0.08 2.28 7.64 -0.03 -4.93 113.62 108.59 2dmp n SER 70 Ca -0.03 -0.52 -0.22 0.00 1.01 0.00 0.00 58.87 59.10 2dmp n SER 70 Cb 0.43 -4.81 -0.12 0.00 -1.01 0.00 0.00 64.21 58.70 2dmp n SER 70 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2dmp n MET 71 N -4.66 0.61 -4.66 1.43 2.81 -1.26 -5.00 117.12 106.39 2dmp n MET 71 Ca -0.03 0.47 -0.29 0.00 -1.81 0.00 0.00 57.70 56.04 2dmp n MET 71 Cb 0.57 -1.71 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 2dmp n MET 71 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2dmp s GLU 72 N -2.42 2.02 -0.01 0.03 -1.05 -1.26 -5.16 118.70 110.85 2dmp s GLU 72 Ca -0.28 -2.20 0.04 0.00 -0.15 0.00 0.00 54.97 52.38 2dmp s GLU 72 Cb 0.07 -1.55 -0.01 0.00 -0.44 0.00 0.00 34.13 32.20 2dmp s GLU 72 CO 0.62 -0.17 -0.14 -1.14 0.95 0.00 0.00 175.26 175.39 2dmp s GLN 73 N -3.77 1.14 0.98 -4.83 0.74 -1.26 -4.96 119.66 107.70 2dmp s GLN 73 Ca 0.25 -0.53 -0.16 0.00 0.05 0.00 0.00 55.36 54.98 2dmp s GLN 73 Cb 0.07 -1.11 0.19 0.00 1.10 0.00 0.00 33.01 33.27 2dmp s GLN 73 CO 0.13 0.30 1.25 0.00 -0.55 0.00 0.00 175.29 176.42 2dmp s ALA 74 N -0.37 1.95 0.01 1.58 0.00 -1.26 -5.09 121.76 118.58 2dmp s ALA 74 Ca 0.05 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.06 2dmp s ALA 74 Cb -0.06 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 2dmp s ALA 74 CO -0.00 -2.53 -0.18 0.14 0.00 0.00 0.00 175.76 173.18 2dmp s VAL 75 N -3.63 1.43 0.85 0.00 -7.23 -1.26 -5.13 120.40 105.44 2dmp s VAL 75 Ca 0.71 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.80 2dmp s VAL 75 Cb -0.07 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.65 2dmp s VAL 75 CO 0.53 0.26 0.48 0.00 -0.31 0.00 0.00 175.10 176.06 2dmp n LEU 76 N 2.26 0.35 -3.48 1.32 -0.00 -1.26 -3.09 117.00 113.10 2dmp n LEU 76 Ca -0.16 0.44 -0.22 0.00 -0.00 0.00 0.00 56.01 56.07 2dmp n LEU 76 Cb 0.54 -1.22 0.08 0.00 -0.00 0.00 0.00 43.42 42.82 2dmp n LEU 76 CO 0.23 -3.36 0.22 -0.67 -0.00 0.00 0.00 177.39 173.82 2dmp n ASP 77 N -0.93 -5.71 -4.80 1.45 2.03 -1.26 -4.97 116.55 102.36 2dmp n ASP 77 Ca 0.08 -0.53 -0.32 0.00 0.52 0.00 0.00 54.79 54.54 2dmp n ASP 77 Cb 0.52 -4.91 0.04 0.00 -0.72 0.00 0.00 41.12 36.05 2dmp n ASP 77 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2dmp s SER 78 N -3.44 5.35 0.26 1.67 0.15 -1.18 -5.01 113.70 111.50 2dmp s SER 78 Ca 0.50 1.79 -0.30 0.00 0.70 0.00 0.00 55.95 58.64 2dmp s SER 78 Cb -0.22 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.48 2dmp s SER 78 CO 0.71 -1.46 0.99 0.00 1.20 0.00 0.00 173.24 174.68 2dmp s MET 79 N -4.50 4.76 0.00 5.44 0.23 -1.26 -4.72 119.30 119.26 2dmp s MET 79 Ca 0.62 1.59 0.00 0.00 -1.03 0.00 0.00 55.69 56.87 2dmp s MET 79 Cb -0.16 -3.22 0.00 0.00 -1.53 0.00 0.00 34.83 29.92 2dmp s MET 79 CO 0.46 0.40 0.00 0.41 -2.03 0.00 0.00 175.02 174.26 2dmp n GLY 80 N 1.33 0.75 3.40 3.16 0.00 -1.26 -5.15 105.19 107.42 2dmp n GLY 80 Ca -0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.46 3.49 1.06 1.61 0.15 -1.26 -5.13 113.70 113.16 2dmp s SER 81 Ca 0.00 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.11 2dmp s SER 81 Cb 0.00 -0.45 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 2dmp s SER 81 CO 0.00 0.26 0.12 0.61 1.20 0.00 0.00 173.24 175.43 2dmp n GLY 82 N 1.65 -3.56 3.90 9.45 0.00 -1.26 -5.01 105.19 110.36 2dmp n GLY 82 Ca -0.17 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 2dmp n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmp s LYS 83 N -3.29 3.67 -0.31 1.61 -0.14 -1.26 -5.04 119.74 114.97 2dmp s LYS 83 Ca 0.09 0.16 -0.26 0.00 -1.36 0.00 0.00 55.97 54.60 2dmp s LYS 83 Cb -0.01 -2.54 0.01 0.00 -1.68 0.00 0.00 37.83 33.61 2dmp s LYS 83 CO 0.08 0.09 0.90 0.45 -0.76 0.00 0.00 175.35 176.11 2dmp s SER 84 N -3.29 6.78 0.00 2.83 0.15 -1.26 -5.00 113.70 113.91 2dmp s SER 84 Ca 0.46 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2dmp s SER 84 Cb -0.10 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2dmp s SER 84 CO 0.32 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2dmp n GLY 85 N 4.03 0.46 3.77 9.45 0.00 -1.26 -5.07 105.19 116.58 2dmp n GLY 85 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 3.08 3.18 -0.30 1.61 0.04 -1.26 -5.04 135.00 136.31 2dmp s PRO 86 Ca 0.00 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.60 2dmp s PRO 86 Cb 0.00 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.64 2dmp s PRO 86 CO 0.00 -0.97 -0.00 -1.12 0.04 0.00 0.00 177.00 174.94 2dmp s SER 87 N -2.04 4.44 0.14 6.66 0.01 -1.26 -5.11 113.70 116.55 2dmp s SER 87 Ca 0.71 -1.74 0.09 0.00 1.31 0.00 0.00 55.95 56.32 2dmp s SER 87 Cb -0.23 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 2dmp s SER 87 CO 0.32 -0.31 -0.21 -0.94 0.41 0.00 0.00 173.24 172.50 2dmp s SER 88 N 1.12 2.81 0.00 2.44 1.04 -1.26 -5.35 113.70 114.51 2dmp s SER 88 Ca 0.03 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2dmp s SER 88 Cb -0.19 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2dmp s SER 88 CO -0.09 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.79