#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 4.91 0.19 1.61 1.04 -1.26 -5.14 113.70 115.04 2dmp s SER 2 Ca 0.00 -0.77 -0.23 0.00 0.48 0.00 0.00 55.95 55.43 2dmp s SER 2 Cb 0.00 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.52 2dmp s SER 2 CO 0.00 -0.51 0.94 -0.55 0.98 0.00 0.00 173.24 174.10 2dmp s SER 3 N -4.01 -0.14 0.00 7.02 0.15 -1.26 -5.08 113.70 110.39 2dmp s SER 3 Ca 0.43 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2dmp s SER 3 Cb -0.02 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2dmp s SER 3 CO 0.26 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.29 2dmp n GLY 4 N -0.52 0.69 3.36 9.45 0.00 -1.26 -4.90 105.19 112.01 2dmp n GLY 4 Ca -0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2dmp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmp n SER 5 N 1.65 -5.36 -3.88 1.61 2.88 -1.26 -5.01 113.62 104.25 2dmp n SER 5 Ca 0.00 -0.50 -0.20 0.00 -1.33 0.00 0.00 58.87 56.84 2dmp n SER 5 Cb 0.00 -4.60 -0.16 0.00 -0.75 0.00 0.00 64.21 58.70 2dmp n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmp s SER 6 N -3.43 1.02 -0.36 -3.46 1.04 -1.26 -5.04 113.70 102.21 2dmp s SER 6 Ca 0.45 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 2dmp s SER 6 Cb -0.20 -0.45 0.09 0.00 0.10 0.00 0.00 66.02 65.57 2dmp s SER 6 CO 0.66 -0.07 2.55 0.61 0.98 0.00 0.00 173.24 177.96 2dmp n GLY 7 N 4.19 4.13 3.68 7.32 0.00 -1.26 -4.95 105.19 118.30 2dmp n GLY 7 Ca -0.23 -1.51 -0.42 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 -1.52 3.62 -0.18 4.61 0.00 -1.26 -4.99 121.76 122.03 2dmp s ALA 8 Ca 0.48 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 2dmp s ALA 8 Cb 0.32 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2dmp s ALA 8 CO -0.12 -1.10 0.31 0.71 0.00 0.00 0.00 175.76 175.56 2dmp s TYR 9 N 2.96 3.42 0.75 0.00 1.51 -1.26 -5.08 117.35 119.65 2dmp s TYR 9 Ca 0.68 0.57 -0.11 0.00 -1.01 0.00 0.00 57.07 57.20 2dmp s TYR 9 Cb -0.33 -2.39 0.05 0.00 -0.11 0.00 0.00 41.96 39.17 2dmp s TYR 9 CO 0.28 0.15 1.09 -1.25 -1.11 0.00 0.00 175.55 174.71 2dmp s PRO 10 N 0.77 2.36 0.12 -1.71 0.04 -1.26 -5.05 135.00 130.26 2dmp s PRO 10 Ca 0.16 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.44 2dmp s PRO 10 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2dmp s PRO 10 CO 0.05 -1.57 0.20 0.34 0.04 0.00 0.00 177.00 176.06 2dmp s ASP 11 N -3.24 6.06 0.00 6.66 2.15 -1.26 -5.12 116.67 121.92 2dmp s ASP 11 Ca 0.62 0.11 -0.10 0.00 0.43 0.00 0.00 52.55 53.61 2dmp s ASP 11 Cb -0.18 -1.77 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 2dmp s ASP 11 CO 0.53 0.10 0.21 -0.36 -0.17 0.00 0.00 175.17 175.49 2dmp s PHE 12 N -1.63 -0.04 -0.11 -5.34 0.08 -1.26 -5.16 117.98 104.53 2dmp s PHE 12 Ca 0.33 -0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.28 2dmp s PHE 12 Cb -0.12 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 2dmp s PHE 12 CO 0.26 -0.35 0.20 0.00 -0.10 0.00 0.00 175.22 175.23 2dmp s ALA 13 N -1.55 3.82 1.14 5.36 0.00 -1.26 -5.10 121.76 124.16 2dmp s ALA 13 Ca -0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2dmp s ALA 13 Cb -0.06 -2.09 0.17 0.00 0.00 0.00 0.00 23.12 21.14 2dmp s ALA 13 CO 0.02 0.53 0.59 -0.35 0.00 0.00 0.00 175.76 176.55 2dmp n PRO 14 N 2.16 -2.17 -4.14 0.00 -0.04 -1.26 -5.10 135.00 124.45 2dmp n PRO 14 Ca -0.18 -0.95 -0.09 0.00 -0.04 0.00 0.00 63.50 62.24 2dmp n PRO 14 Cb 0.54 -0.89 -0.10 0.00 -0.04 0.00 0.00 33.50 33.01 2dmp n PRO 14 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2dmp s GLN 15 N -4.35 0.87 0.09 0.54 0.74 -1.26 -5.15 119.66 111.14 2dmp s GLN 15 Ca 0.39 -1.40 -0.18 0.00 0.05 0.00 0.00 55.36 54.22 2dmp s GLN 15 Cb -0.04 0.23 -0.07 0.00 1.10 0.00 0.00 33.01 34.24 2dmp s GLN 15 CO 0.30 -0.23 0.56 0.21 -0.55 0.00 0.00 175.29 175.57 2dmp s LYS 16 N -4.02 4.13 0.17 1.67 2.20 -1.26 -5.05 119.74 117.58 2dmp s LYS 16 Ca 0.21 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 2dmp s LYS 16 Cb 0.08 -3.16 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 2dmp s LYS 16 CO -0.00 0.60 1.01 -0.59 -0.36 0.00 0.00 175.35 176.00 2dmp s PHE 17 N -1.20 3.77 0.12 4.03 -0.12 -1.26 -5.06 117.98 118.27 2dmp s PHE 17 Ca 0.31 1.76 0.04 0.00 -0.05 0.00 0.00 56.93 58.99 2dmp s PHE 17 Cb -0.18 -3.12 -0.04 0.00 -0.63 0.00 0.00 43.02 39.05 2dmp s PHE 17 CO 0.19 -0.03 -0.11 0.21 -0.05 0.00 0.00 175.22 175.43 2dmp s LYS 18 N -0.45 0.95 0.25 1.99 2.20 -1.26 -5.14 119.74 118.28 2dmp s LYS 18 Ca 0.46 -1.28 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 2dmp s LYS 18 Cb -0.26 -0.62 -0.09 0.00 -1.51 0.00 0.00 37.83 35.34 2dmp s LYS 18 CO 0.32 0.09 1.07 -1.83 -0.36 0.00 0.00 175.35 174.65 2dmp s GLU 19 N -3.13 4.67 0.51 4.03 -1.05 -1.26 -5.05 118.70 117.42 2dmp s GLU 19 Ca 0.10 1.73 0.01 0.00 -0.15 0.00 0.00 54.97 56.66 2dmp s GLU 19 Cb -0.01 -3.23 0.02 0.00 -0.44 0.00 0.00 34.13 30.47 2dmp s GLU 19 CO 0.01 0.23 0.73 0.15 0.95 0.00 0.00 175.26 177.32 2dmp s LYS 20 N -1.11 2.73 0.59 -4.83 1.02 -1.26 -5.11 119.74 111.77 2dmp s LYS 20 Ca 0.45 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 2dmp s LYS 20 Cb -0.30 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 34.53 2dmp s LYS 20 CO 0.38 -0.55 0.84 -0.08 -0.92 0.00 0.00 175.35 175.02 2dmp s THR 21 N -2.67 2.56 0.16 2.17 -1.32 -1.26 -4.98 115.64 110.29 2dmp s THR 21 Ca 0.54 -0.57 -0.15 0.00 -1.21 0.00 0.00 61.69 60.30 2dmp s THR 21 Cb -0.10 -2.98 0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2dmp s THR 21 CO 0.38 0.00 1.77 -0.61 -2.21 0.00 0.00 174.62 173.95 2dmp h GLN 22 N -0.10 0.66 0.07 7.08 5.75 -1.99 -2.89 115.11 123.69 2dmp h GLN 22 Ca -0.42 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 2dmp h GLN 22 Cb 1.30 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 2dmp h GLN 22 CO 0.53 0.51 -0.17 0.78 -2.65 0.00 0.00 178.83 177.84 2dmp h GLY 23 N 0.63 -1.13 -0.62 2.39 0.00 -1.98 0.33 103.07 102.68 2dmp h GLY 23 Ca 0.17 0.53 0.06 0.00 0.00 0.00 0.00 47.33 48.09 2dmp h GLY 23 CO -0.03 -0.38 -0.53 1.46 0.00 0.00 0.00 176.54 177.06 2dmp h GLN 24 N -0.26 -0.20 -0.92 4.80 4.20 -1.91 0.39 115.11 121.22 2dmp h GLN 24 Ca -0.01 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2dmp h GLN 24 Cb 0.25 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.00 2dmp h GLN 24 CO -0.08 -0.13 0.59 0.28 -0.67 0.00 0.00 178.83 178.82 2dmp h VAL 25 N -0.20 0.80 -0.69 -0.54 2.07 -1.41 -0.07 116.25 116.21 2dmp h VAL 25 Ca 0.10 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2dmp h VAL 25 Cb 0.47 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2dmp h VAL 25 CO -0.69 0.12 0.23 0.50 0.02 0.00 0.00 177.57 177.75 2dmp h LYS 26 N 0.68 1.07 -0.22 1.57 3.64 0.37 0.16 116.57 123.84 2dmp h LYS 26 Ca 0.47 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 2dmp h LYS 26 Cb 0.80 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2dmp h LYS 26 CO -0.23 0.92 -0.36 0.82 -2.27 0.00 0.00 179.45 178.32 2dmp h ILE 27 N 1.01 1.29 -0.05 2.00 2.04 0.96 -2.56 117.51 122.20 2dmp h ILE 27 Ca 0.23 -1.48 -0.16 0.00 1.00 0.00 0.00 64.86 64.44 2dmp h ILE 27 Cb 0.28 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2dmp h ILE 27 CO -0.01 0.46 -0.61 -0.07 0.00 0.00 0.00 178.15 177.92 2dmp h LEU 28 N 0.40 0.63 -0.47 1.44 3.38 -0.91 -3.11 115.31 116.67 2dmp h LEU 28 Ca 0.04 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.36 2dmp h LEU 28 Cb 0.82 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2dmp h LEU 28 CO 0.07 1.23 0.22 -0.33 0.09 0.00 0.00 178.44 179.72 2dmp h GLU 29 N 0.07 0.43 -0.99 1.13 5.08 -0.66 0.13 114.58 119.77 2dmp h GLU 29 Ca -0.06 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2dmp h GLU 29 Cb 1.28 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2dmp h GLU 29 CO 0.12 0.28 0.64 0.22 -1.00 0.00 0.00 179.01 179.28 2dmp h ASP 30 N 0.44 1.03 0.38 1.42 3.58 -1.52 -0.05 116.42 121.70 2dmp h ASP 30 Ca 0.21 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 2dmp h ASP 30 Cb 0.14 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2dmp h ASP 30 CO -0.16 0.67 -0.18 -1.28 -2.88 0.00 0.00 179.24 175.41 2dmp h SER 31 N 1.18 -0.44 -0.15 2.28 0.87 -1.27 -3.24 113.55 112.77 2dmp h SER 31 Ca 0.42 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 61.02 2dmp h SER 31 Cb 0.13 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 2dmp h SER 31 CO -0.16 -0.03 -0.54 0.15 -0.53 0.00 0.00 176.83 175.72 2dmp h PHE 32 N -1.07 -1.62 -0.86 2.24 3.57 -0.71 0.01 116.94 118.50 2dmp h PHE 32 Ca -0.05 0.06 0.34 0.00 3.53 0.00 0.00 57.97 61.85 2dmp h PHE 32 Cb 0.39 0.73 -0.16 0.00 2.79 0.00 0.00 35.95 39.70 2dmp h PHE 32 CO 0.01 -0.54 0.39 1.28 -2.23 0.00 0.00 178.31 177.22 2dmp n LEU 33 N -5.40 0.23 0.09 0.59 4.77 -0.04 0.32 117.00 117.57 2dmp n LEU 33 Ca -0.06 1.44 -0.11 0.00 -0.03 0.00 0.00 56.01 57.25 2dmp n LEU 33 Cb 0.37 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 2dmp n LEU 33 CO 0.08 -1.58 0.43 0.11 -1.33 0.00 0.00 177.39 175.09 2dmp h LYS 34 N 0.00 -0.28 -2.66 3.23 1.57 -1.05 -3.44 116.57 113.94 2dmp h LYS 34 Ca 0.70 0.02 -0.41 0.00 -1.87 0.00 0.00 60.65 59.09 2dmp h LYS 34 Cb 1.80 0.06 -0.38 0.00 0.08 0.00 0.00 32.23 33.79 2dmp h LYS 34 CO -0.69 0.10 -0.70 0.45 -0.57 0.00 0.00 179.45 178.04 2dmp s SER 35 N -5.32 2.19 0.30 0.86 0.15 0.15 -5.02 113.70 107.01 2dmp s SER 35 Ca -0.13 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 55.86 2dmp s SER 35 Cb 0.01 0.07 0.71 0.00 -1.71 0.00 0.00 66.02 65.10 2dmp s SER 35 CO 0.48 -0.37 1.54 -1.54 1.20 0.00 0.00 173.24 174.55 2dmp n SER 36 N 5.29 -0.15 -4.35 5.45 3.41 -0.96 -3.38 113.62 118.94 2dmp n SER 36 Ca -0.05 1.68 -0.45 0.00 -0.26 0.00 0.00 58.87 59.78 2dmp n SER 36 Cb 0.47 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.77 2dmp n SER 36 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2dmp s PHE 37 N -6.02 3.22 0.65 7.33 0.08 -1.26 -4.86 117.98 117.12 2dmp s PHE 37 Ca -0.13 -1.11 -0.15 0.00 0.12 0.00 0.00 56.93 55.65 2dmp s PHE 37 Cb 0.29 -3.60 -0.00 0.00 -0.57 0.00 0.00 43.02 39.14 2dmp s PHE 37 CO 0.77 -0.97 1.11 -1.25 -0.10 0.00 0.00 175.22 174.78 2dmp s PRO 38 N 1.74 2.81 0.20 0.24 0.04 -1.22 -5.05 135.00 133.76 2dmp s PRO 38 Ca 0.04 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.53 2dmp s PRO 38 Cb -0.27 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2dmp s PRO 38 CO 0.05 -1.24 0.31 -0.08 0.04 0.00 0.00 177.00 176.07 2dmp s THR 39 N -2.31 5.19 0.17 1.26 -1.32 -1.26 -4.80 115.64 112.57 2dmp s THR 39 Ca 0.67 -0.90 -0.15 0.00 -1.21 0.00 0.00 61.69 60.10 2dmp s THR 39 Cb -0.21 -3.76 0.15 0.00 -1.51 0.00 0.00 72.50 67.18 2dmp s THR 39 CO 0.41 -0.23 1.18 0.00 -2.21 0.00 0.00 174.62 173.77 2dmp n GLN 40 N -1.00 -0.20 -0.18 7.08 1.13 -1.26 0.15 117.38 123.09 2dmp n GLN 40 Ca -0.08 1.17 -0.02 0.00 -1.94 0.00 0.00 57.00 56.13 2dmp n GLN 40 Cb 0.56 -1.73 0.08 0.00 0.11 0.00 0.00 30.24 29.25 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 0.95 0.71 0.25 -1.58 0.00 -1.99 -0.77 119.26 116.84 2dmp h ALA 41 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2dmp h ALA 41 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dmp h ALA 41 CO -0.75 -0.14 -0.12 1.49 0.00 0.00 0.00 179.25 179.72 2dmp h GLU 42 N 0.45 -0.33 -0.69 0.00 4.57 0.99 -2.93 114.58 116.64 2dmp h GLU 42 Ca 0.26 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.55 2dmp h GLU 42 Cb 0.25 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 28.80 2dmp h GLU 42 CO -0.23 -0.22 -0.51 -0.07 -1.18 0.00 0.00 179.01 176.81 2dmp h LEU 43 N -0.35 -1.78 -1.63 1.64 3.38 -0.91 0.69 115.31 116.36 2dmp h LEU 43 Ca -0.03 0.28 0.48 0.00 0.09 0.00 0.00 57.88 58.69 2dmp h LEU 43 Cb 0.26 0.79 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 2dmp h LEU 43 CO 0.06 -0.32 1.03 -0.78 0.09 0.00 0.00 178.44 178.52 2dmp h ASP 44 N -0.19 0.15 0.51 -0.43 1.82 -1.18 1.41 116.42 118.51 2dmp h ASP 44 Ca 0.16 0.09 -0.30 0.00 -0.39 0.00 0.00 57.03 56.59 2dmp h ASP 44 Cb 0.53 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 2dmp h ASP 44 CO -0.77 -0.12 -1.45 -0.09 -1.61 0.00 0.00 179.24 175.20 2dmp h ARG 45 N 0.04 0.25 -0.26 0.28 1.12 0.51 -3.15 114.38 113.16 2dmp h ARG 45 Ca 0.85 -0.42 -0.06 0.00 -1.11 0.00 0.00 59.98 59.24 2dmp h ARG 45 Cb 2.95 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 33.06 2dmp h ARG 45 CO -0.27 1.13 -0.07 -0.07 -3.11 0.00 0.00 179.97 177.58 2dmp h LEU 46 N 0.07 0.51 0.96 3.80 3.38 0.35 -1.06 115.31 123.31 2dmp h LEU 46 Ca -0.21 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 2dmp h LEU 46 Cb 2.00 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.62 2dmp h LEU 46 CO 0.17 0.76 -0.46 0.03 0.09 0.00 0.00 178.44 179.04 2dmp h ARG 47 N 0.25 -1.24 -0.25 1.13 3.08 -0.71 0.18 114.38 116.82 2dmp h ARG 47 Ca 0.06 0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.25 2dmp h ARG 47 Cb 0.54 0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 2dmp h ARG 47 CO 0.03 -0.82 -0.08 -0.24 -1.07 0.00 0.00 179.97 177.78 2dmp h VAL 48 N -1.29 0.70 0.46 2.04 3.04 -1.62 2.14 116.25 121.71 2dmp h VAL 48 Ca -0.13 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.54 2dmp h VAL 48 Cb 0.98 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 2dmp h VAL 48 CO 0.22 0.00 -0.30 -0.33 -1.01 0.00 0.00 177.57 176.15 2dmp h GLU 49 N -0.03 -0.68 0.00 4.17 4.39 -1.15 -2.27 114.58 119.00 2dmp h GLU 49 Ca 0.13 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2dmp h GLU 49 Cb 0.23 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2dmp h GLU 49 CO -0.28 -0.46 0.00 0.25 -1.16 0.00 0.00 179.01 177.37 2dmp n THR 50 N -4.19 0.51 -3.52 1.13 -2.24 0.62 -4.87 114.28 101.73 2dmp n THR 50 Ca -0.09 0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 2dmp n THR 50 Cb 0.30 -0.86 0.08 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.28 -7.31 -4.57 -0.78 4.76 0.67 -4.91 118.16 104.75 2dmp n LYS 51 Ca 0.08 0.84 -0.26 0.00 -2.87 0.00 0.00 58.31 56.09 2dmp n LYS 51 Cb 0.13 -5.88 -0.10 0.00 -1.84 0.00 0.00 35.03 27.35 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 -6.84 2.36 0.29 -0.35 1.43 0.17 -4.97 118.68 110.76 2dmp s LEU 52 Ca 0.30 -1.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.00 2dmp s LEU 52 Cb -0.13 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 2dmp s LEU 52 CO 0.73 -0.67 0.15 -0.44 0.23 0.00 0.00 176.35 176.35 2dmp s SER 53 N -3.64 5.06 0.23 2.29 0.01 -1.26 -4.35 113.70 112.03 2dmp s SER 53 Ca 0.28 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 2dmp s SER 53 Cb 0.07 -1.05 0.26 0.00 0.21 0.00 0.00 66.02 65.51 2dmp s SER 53 CO 0.14 -0.13 1.57 0.03 0.41 0.00 0.00 173.24 175.25 2dmp h ARG 54 N 1.56 -0.04 0.11 12.44 2.47 -1.98 0.31 114.38 129.24 2dmp h ARG 54 Ca -0.46 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.28 2dmp h ARG 54 Cb 1.25 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 2dmp h ARG 54 CO 0.61 -0.03 -0.26 0.00 0.56 0.00 0.00 179.97 180.85 2dmp h ARG 55 N -0.04 -0.44 -0.77 0.04 2.47 -1.98 0.17 114.38 113.82 2dmp h ARG 55 Ca 0.34 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 59.17 2dmp h ARG 55 Cb 0.60 0.10 -0.11 0.00 -1.65 0.00 0.00 29.97 28.92 2dmp h ARG 55 CO -0.89 -0.30 -0.56 0.93 0.56 0.00 0.00 179.97 179.71 2dmp h GLU 56 N -0.46 -0.15 -0.62 0.04 4.39 -1.34 0.42 114.58 116.85 2dmp h GLU 56 Ca 0.03 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2dmp h GLU 56 Cb 0.49 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2dmp h GLU 56 CO -0.16 -0.10 0.29 0.82 -1.16 0.00 0.00 179.01 178.70 2dmp h ILE 57 N -0.15 1.22 -0.82 3.13 2.04 -1.21 -3.06 117.51 118.65 2dmp h ILE 57 Ca 0.14 -0.64 0.13 0.00 1.00 0.00 0.00 64.86 65.49 2dmp h ILE 57 Cb 0.49 0.49 -0.13 0.00 -0.74 0.00 0.00 36.82 36.92 2dmp h ILE 57 CO -0.81 0.26 -0.31 -0.67 0.00 0.00 0.00 178.15 176.62 2dmp n ASP 58 N -4.49 -0.51 0.14 1.72 2.03 0.57 0.01 116.55 116.03 2dmp n ASP 58 Ca 0.04 1.43 -0.14 0.00 0.52 0.00 0.00 54.79 56.65 2dmp n ASP 58 Cb 0.14 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 2dmp n ASP 58 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2dmp h SER 59 N 0.00 -0.26 -0.37 1.67 4.64 -1.38 0.17 113.55 118.02 2dmp h SER 59 Ca 0.30 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.58 2dmp h SER 59 Cb 0.50 0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 62.58 2dmp h SER 59 CO -0.82 -0.07 -0.50 -0.25 -0.87 0.00 0.00 176.83 174.33 2dmp h TRP 60 N -0.45 -1.49 -0.03 4.77 7.01 -0.40 0.36 115.95 125.73 2dmp h TRP 60 Ca -0.03 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2dmp h TRP 60 Cb 0.34 0.70 -0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2dmp h TRP 60 CO -0.02 -0.48 0.01 0.74 -2.79 0.00 0.00 178.44 175.90 2dmp h PHE 61 N -0.40 0.04 -0.68 2.65 -1.00 -0.87 0.89 116.94 117.57 2dmp h PHE 61 Ca 0.10 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.99 2dmp h PHE 61 Cb 0.61 -0.01 -0.12 0.00 3.61 0.00 0.00 35.95 40.03 2dmp h PHE 61 CO -0.66 0.16 -0.34 1.03 -1.61 0.00 0.00 178.31 176.89 2dmp h SER 62 N -0.10 -1.20 0.08 2.17 0.87 0.03 -0.50 113.55 114.90 2dmp h SER 62 Ca 0.01 0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2dmp h SER 62 Cb 0.14 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2dmp h SER 62 CO -0.00 -0.30 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.63 2dmp h GLU 63 N -0.12 -0.11 -1.00 2.24 5.08 -0.87 -3.21 114.58 116.58 2dmp h GLU 63 Ca 0.26 0.01 0.33 0.00 -1.00 0.00 0.00 59.36 58.96 2dmp h GLU 63 Cb 0.56 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 29.65 2dmp h GLU 63 CO -0.75 0.34 0.22 -0.09 -1.00 0.00 0.00 179.01 177.74 2dmp h ARG 64 N -0.61 0.00 -0.69 2.33 9.65 -0.07 0.79 114.38 125.78 2dmp h ARG 64 Ca -0.01 -0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.01 2dmp h ARG 64 Cb 0.50 -0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.98 2dmp h ARG 64 CO 0.02 0.00 0.19 0.00 2.80 0.00 0.00 179.97 182.98 2dmp h ARG 65 N 0.00 0.29 -0.73 0.20 3.08 -1.12 -1.39 114.38 114.72 2dmp h ARG 65 Ca 0.70 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.87 2dmp h ARG 65 Cb 1.64 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 31.48 2dmp h ARG 65 CO -0.87 0.19 -0.24 0.87 -1.07 0.00 0.00 179.97 178.85 2dmp h LYS 66 N 0.30 -0.04 -0.19 0.04 1.57 0.48 0.16 116.57 118.89 2dmp h LYS 66 Ca 0.38 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.22 2dmp h LYS 66 Cb 0.61 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 2dmp h LYS 66 CO -0.45 -0.03 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.15 2dmp h LEU 67 N -0.05 -0.55 -0.73 2.94 3.38 -1.31 -1.70 115.31 117.29 2dmp h LEU 67 Ca 0.33 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.54 2dmp h LEU 67 Cb 0.56 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 2dmp h LEU 67 CO -0.77 -0.22 0.27 -0.09 0.09 0.00 0.00 178.44 177.73 2dmp h ARG 68 N -0.19 0.40 -0.46 1.13 2.43 -0.91 -0.99 114.38 115.79 2dmp h ARG 68 Ca 0.12 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2dmp h ARG 68 Cb 0.36 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2dmp h ARG 68 CO -0.30 0.27 0.14 0.22 -1.51 0.00 0.00 179.97 178.78 2dmp h ASP 69 N 0.41 0.11 -0.75 -3.80 3.58 -0.38 -2.21 116.42 113.38 2dmp h ASP 69 Ca 0.40 0.06 0.25 0.00 0.42 0.00 0.00 57.03 58.17 2dmp h ASP 69 Cb 0.60 0.07 -0.14 0.00 1.72 0.00 0.00 39.33 41.58 2dmp h ASP 69 CO -0.41 0.09 0.18 -1.20 -2.88 0.00 0.00 179.24 175.03 2dmp n SER 70 N -5.04 0.06 -0.25 2.28 7.64 -0.37 0.35 113.62 118.28 2dmp n SER 70 Ca 0.04 1.26 0.09 0.00 1.01 0.00 0.00 58.87 61.27 2dmp n SER 70 Cb 0.20 -0.52 0.17 0.00 -1.01 0.00 0.00 64.21 63.05 2dmp n SER 70 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2dmp n MET 71 N -4.90 -0.06 -0.51 1.43 0.00 -0.83 -4.41 117.12 107.85 2dmp n MET 71 Ca 0.22 1.09 -0.28 0.00 -0.00 0.00 0.00 57.70 58.73 2dmp n MET 71 Cb 0.74 -1.70 0.21 0.00 0.00 0.00 0.00 33.22 32.47 2dmp n MET 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2dmp n GLU 72 N -5.05 -2.62 -2.13 2.12 -0.58 0.16 -4.83 120.64 107.71 2dmp n GLU 72 Ca 0.15 -0.76 -0.43 0.00 -0.42 0.00 0.00 57.16 55.70 2dmp n GLU 72 Cb 0.49 -1.80 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 2dmp n GLU 72 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2dmp s GLN 73 N -3.96 3.59 -0.08 3.49 0.74 -1.26 -4.97 119.66 117.20 2dmp s GLN 73 Ca 0.57 1.41 -0.08 0.00 0.05 0.00 0.00 55.36 57.31 2dmp s GLN 73 Cb -0.14 -4.09 0.02 0.00 1.10 0.00 0.00 33.01 29.91 2dmp s GLN 73 CO 0.58 -1.55 0.22 0.00 -0.55 0.00 0.00 175.29 173.99 2dmp s ALA 74 N 5.83 -0.55 -0.21 1.58 0.00 -1.26 -5.11 121.76 122.04 2dmp s ALA 74 Ca 0.72 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 2dmp s ALA 74 Cb -0.21 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 2dmp s ALA 74 CO 0.31 -0.11 2.12 0.08 0.00 0.00 0.00 175.76 178.16 2dmp s VAL 75 N 0.16 3.09 0.13 0.00 1.01 -1.26 -4.92 120.40 118.61 2dmp s VAL 75 Ca -0.00 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 2dmp s VAL 75 Cb -0.02 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.31 2dmp s VAL 75 CO 0.00 -0.07 0.59 -1.48 0.00 0.00 0.00 175.10 174.14 2dmp s LEU 76 N 7.61 -0.48 0.64 3.92 0.05 -1.26 -5.16 118.68 124.00 2dmp s LEU 76 Ca 0.96 0.05 -0.16 0.00 0.05 0.00 0.00 54.13 55.02 2dmp s LEU 76 Cb -0.32 2.51 -0.01 0.00 -2.05 0.00 0.00 46.19 46.32 2dmp s LEU 76 CO 0.35 -0.92 1.13 -1.81 -0.55 0.00 0.00 176.35 174.56 2dmp s ASP 77 N -2.58 5.10 0.06 1.48 1.01 -1.26 -4.97 116.67 115.50 2dmp s ASP 77 Ca -0.00 2.11 -0.31 0.00 0.71 0.00 0.00 52.55 55.06 2dmp s ASP 77 Cb -0.01 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2dmp s ASP 77 CO -0.10 -1.64 1.18 -0.94 0.21 0.00 0.00 175.17 173.87 2dmp s SER 78 N -2.29 7.10 -0.14 0.27 1.04 -1.26 -5.03 113.70 113.40 2dmp s SER 78 Ca 0.70 1.99 -0.13 0.00 0.48 0.00 0.00 55.95 58.98 2dmp s SER 78 Cb -0.23 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.35 2dmp s SER 78 CO 0.39 -0.45 0.38 -0.04 0.98 0.00 0.00 173.24 174.50 2dmp s MET 79 N 1.05 0.45 -0.28 4.02 -1.94 -1.26 -5.15 119.30 116.19 2dmp s MET 79 Ca 0.58 0.52 -0.03 0.00 -1.71 0.00 0.00 55.69 55.05 2dmp s MET 79 Cb -0.29 0.22 0.16 0.00 2.01 0.00 0.00 34.83 36.93 2dmp s MET 79 CO 0.29 -0.05 0.53 0.20 -0.01 0.00 0.00 175.02 175.98 2dmp s GLY 80 N 0.19 -0.75 -0.24 -0.03 0.00 -1.26 -5.13 107.32 100.10 2dmp s GLY 80 Ca -0.00 1.63 -0.04 0.00 0.00 0.00 0.00 44.72 46.31 2dmp s GLY 80 CO 0.01 3.07 0.42 -1.35 0.00 0.00 0.00 173.10 175.24 2dmp s SER 81 N 2.76 -0.08 0.00 1.64 1.04 -1.26 -5.12 113.70 112.68 2dmp s SER 81 Ca 0.14 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2dmp s SER 81 Cb -0.15 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.28 2dmp s SER 81 CO -0.19 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2dmp n GLY 82 N 5.38 4.21 3.52 7.32 0.00 -1.26 -5.18 105.19 119.17 2dmp n GLY 82 Ca -0.05 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.96 0.84 0.22 1.61 2.47 -1.26 -5.19 119.74 113.46 2dmp s LYS 83 Ca 0.00 -0.13 -0.06 0.00 -1.56 0.00 0.00 55.97 54.22 2dmp s LYS 83 Cb 0.00 0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 36.73 2dmp s LYS 83 CO 0.00 -0.33 0.27 0.45 0.16 0.00 0.00 175.35 175.90 2dmp s SER 84 N -1.99 0.06 0.01 1.43 0.15 -1.26 -5.18 113.70 106.93 2dmp s SER 84 Ca 0.01 -1.21 -0.01 0.00 0.70 0.00 0.00 55.95 55.44 2dmp s SER 84 Cb -0.01 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2dmp s SER 84 CO -0.04 -0.96 -0.01 -0.83 1.20 0.00 0.00 173.24 172.60 2dmp s GLY 85 N -3.10 0.19 1.03 9.45 0.00 -1.26 -5.16 107.32 108.46 2dmp s GLY 85 Ca 0.33 -0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.41 2dmp s GLY 85 CO 0.11 -0.53 0.92 -1.55 0.00 0.00 0.00 173.10 172.04 2dmp n PRO 86 N 1.78 -2.79 -4.39 2.90 -0.04 -1.26 -5.04 135.00 126.16 2dmp n PRO 86 Ca -0.22 -1.46 -0.34 0.00 -0.04 0.00 0.00 63.50 61.44 2dmp n PRO 86 Cb 0.56 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 2dmp n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmp s SER 87 N -3.98 4.64 -0.13 3.54 0.15 -1.26 -5.06 113.70 111.60 2dmp s SER 87 Ca 0.59 -0.19 -0.37 0.00 0.70 0.00 0.00 55.95 56.69 2dmp s SER 87 Cb -0.06 -1.76 -0.14 0.00 -1.71 0.00 0.00 66.02 62.36 2dmp s SER 87 CO 0.46 0.14 1.77 -1.20 1.20 0.00 0.00 173.24 175.61 2dmp n SER 88 N 3.70 2.89 0.00 5.45 7.64 -1.26 -5.39 113.62 126.65 2dmp n SER 88 Ca -0.18 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2dmp n SER 88 Cb 0.52 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2dmp n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64