#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmq n SER 2 N 0.00 0.37 -4.73 1.61 7.64 -1.26 -4.89 113.62 112.36 2dmq n SER 2 Ca 0.00 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2dmq n SER 2 Cb 0.00 -1.08 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 2dmq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmq s SER 3 N -0.26 7.36 -0.47 6.43 0.01 -1.26 -5.03 113.70 120.48 2dmq s SER 3 Ca 0.75 1.63 0.03 0.00 1.31 0.00 0.00 55.95 59.67 2dmq s SER 3 Cb -0.97 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 62.84 2dmq s SER 3 CO 0.55 -0.07 0.21 -0.83 0.41 0.00 0.00 173.24 173.51 2dmq s GLY 4 N 0.16 2.29 -0.26 3.44 0.00 -1.26 -5.05 107.32 106.64 2dmq s GLY 4 Ca 0.44 -3.04 -0.26 0.00 0.00 0.00 0.00 44.72 41.87 2dmq s GLY 4 CO 0.27 1.00 0.88 -1.35 0.00 0.00 0.00 173.10 173.90 2dmq s SER 5 N 0.20 -0.58 -0.38 1.64 1.04 -1.26 -5.11 113.70 109.25 2dmq s SER 5 Ca 0.15 1.08 -0.27 0.00 0.48 0.00 0.00 55.95 57.39 2dmq s SER 5 Cb -0.23 1.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 2dmq s SER 5 CO -0.03 -0.22 2.19 -0.94 0.98 0.00 0.00 173.24 175.23 2dmq s SER 6 N 0.17 5.10 0.00 7.02 1.04 -1.26 -4.93 113.70 120.84 2dmq s SER 6 Ca 0.01 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2dmq s SER 6 Cb -0.05 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2dmq s SER 6 CO -0.02 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 172.48 2dmq n GLY 7 N 5.80 -1.36 3.78 7.32 0.00 -1.26 -5.05 105.19 114.42 2dmq n GLY 7 Ca 0.30 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2dmq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmq s LYS 8 N 0.00 2.19 -0.52 1.61 -0.14 -1.26 -5.11 119.74 116.51 2dmq s LYS 8 Ca 0.00 -2.15 0.04 0.00 -1.36 0.00 0.00 55.97 52.50 2dmq s LYS 8 Cb 0.00 -1.79 0.14 0.00 -1.68 0.00 0.00 37.83 34.50 2dmq s LYS 8 CO 0.00 -0.34 0.29 1.03 -0.76 0.00 0.00 175.35 175.58 2dmq s ARG 9 N -3.97 1.84 0.70 1.68 0.52 -1.26 -5.07 118.95 113.39 2dmq s ARG 9 Ca 0.24 -2.56 -0.16 0.00 -0.52 0.00 0.00 55.73 52.74 2dmq s ARG 9 Cb 0.02 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.50 2dmq s ARG 9 CO 0.14 -1.16 1.20 -1.64 0.02 0.00 0.00 175.30 173.85 2dmq s MET 10 N -0.30 2.35 0.04 3.54 -1.94 -1.26 -5.03 119.30 116.71 2dmq s MET 10 Ca 0.19 1.73 0.03 0.00 -1.71 0.00 0.00 55.69 55.93 2dmq s MET 10 Cb -0.21 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 2dmq s MET 10 CO -0.03 -1.67 0.01 1.03 -0.01 0.00 0.00 175.02 174.35 2dmq s ARG 11 N -3.84 2.71 -0.21 2.03 0.52 -1.26 -5.04 118.95 113.86 2dmq s ARG 11 Ca 0.74 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.99 2dmq s ARG 11 Cb -0.28 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 32.62 2dmq s ARG 11 CO 0.43 0.59 0.68 -0.08 0.02 0.00 0.00 175.30 176.94 2dmq s THR 12 N -1.21 0.00 -0.56 0.02 -1.32 -1.26 -5.11 115.64 106.19 2dmq s THR 12 Ca 0.23 -0.01 -0.28 0.00 -1.21 0.00 0.00 61.69 60.43 2dmq s THR 12 Cb -0.12 -0.97 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 2dmq s THR 12 CO 0.15 -0.00 1.40 -0.44 -2.21 0.00 0.00 174.62 173.52 2dmq s SER 13 N -0.02 6.15 0.10 8.08 0.01 -1.26 -4.97 113.70 121.78 2dmq s SER 13 Ca -0.03 0.28 -0.31 0.00 1.31 0.00 0.00 55.95 57.21 2dmq s SER 13 Cb -0.04 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 2dmq s SER 13 CO 0.03 -1.69 1.52 -0.36 0.41 0.00 0.00 173.24 173.15 2dmq s PHE 14 N 5.99 2.88 1.38 2.43 0.08 -1.26 -5.00 117.98 124.48 2dmq s PHE 14 Ca 0.52 0.65 -0.22 0.00 0.12 0.00 0.00 56.93 58.00 2dmq s PHE 14 Cb -0.11 -3.83 0.35 0.00 -0.57 0.00 0.00 43.02 38.86 2dmq s PHE 14 CO 0.25 -3.13 0.96 0.15 -0.10 0.00 0.00 175.22 173.35 2dmq s LYS 15 N 1.80 -2.59 0.07 0.44 -0.14 -1.26 -4.93 119.74 113.12 2dmq s LYS 15 Ca 0.69 0.13 0.24 0.00 -1.36 0.00 0.00 55.97 55.67 2dmq s LYS 15 Cb -0.39 -1.42 0.34 0.00 -1.68 0.00 0.00 37.83 34.68 2dmq s LYS 15 CO 0.30 -4.65 1.29 0.72 -0.76 0.00 0.00 175.35 172.26 2dmq n HIS 16 N -5.47 0.33 -0.02 3.18 8.25 -1.26 -3.74 115.22 116.49 2dmq n HIS 16 Ca 0.12 0.10 -0.01 0.00 -0.26 0.00 0.00 57.72 57.67 2dmq n HIS 16 Cb 0.60 -0.49 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 2dmq n HIS 16 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dmq h HIS 17 N 0.00 0.00 -0.71 4.41 3.86 -2.00 -3.30 115.15 117.41 2dmq h HIS 17 Ca 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 2dmq h HIS 17 Cb 0.67 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.00 2dmq h HIS 17 CO 0.00 0.00 -0.18 -0.56 0.86 0.00 0.00 177.93 178.05 2dmq h GLN 18 N -0.29 -0.01 -0.46 2.45 3.07 -1.89 0.14 115.11 118.13 2dmq h GLN 18 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.83 2dmq h GLN 18 Cb 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.58 2dmq h GLN 18 CO 0.00 -0.00 -0.16 -0.07 0.09 0.00 0.00 178.83 178.69 2dmq h LEU 19 N -0.01 -0.56 -1.27 0.06 3.38 -1.78 0.36 115.31 115.51 2dmq h LEU 19 Ca 0.34 0.15 0.43 0.00 0.09 0.00 0.00 57.88 58.89 2dmq h LEU 19 Cb 0.52 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.46 2dmq h LEU 19 CO -0.73 -0.19 0.76 -0.09 0.09 0.00 0.00 178.44 178.28 2dmq h ARG 20 N -0.05 0.06 -0.11 1.13 1.12 -1.04 0.73 114.38 116.22 2dmq h ARG 20 Ca 0.22 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 59.04 2dmq h ARG 20 Cb 0.39 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 2dmq h ARG 20 CO -0.50 0.04 -0.13 1.15 -3.11 0.00 0.00 179.97 177.42 2dmq h THR 21 N 0.07 1.37 0.41 0.20 2.02 -0.90 -2.79 112.91 113.28 2dmq h THR 21 Ca 0.84 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2dmq h THR 21 Cb 2.49 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.89 2dmq h THR 21 CO -0.53 0.38 -0.20 0.24 0.37 0.00 0.00 175.52 175.78 2dmq h MET 22 N -0.13 -0.54 -1.00 6.66 2.86 0.44 -3.10 114.93 120.12 2dmq h MET 22 Ca 0.02 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.79 2dmq h MET 22 Cb 0.67 0.12 -0.12 0.00 0.06 0.00 0.00 31.60 32.32 2dmq h MET 22 CO 0.03 -0.36 -0.57 1.63 1.06 0.00 0.00 176.91 178.71 2dmq n LYS 23 N -4.21 -0.42 -0.39 1.72 5.02 0.74 0.15 118.16 120.77 2dmq n LYS 23 Ca -0.07 1.51 0.32 0.00 -2.02 0.00 0.00 58.31 58.06 2dmq n LYS 23 Cb 0.22 -2.23 0.63 0.00 -0.02 0.00 0.00 35.03 33.63 2dmq n LYS 23 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dmq h SER 24 N 0.00 0.25 -0.16 4.39 0.87 -1.59 0.52 113.55 117.83 2dmq h SER 24 Ca 0.18 0.07 -0.21 0.00 -1.23 0.00 0.00 61.79 60.61 2dmq h SER 24 Cb 0.43 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2dmq h SER 24 CO -0.95 -0.02 -0.71 0.22 -0.53 0.00 0.00 176.83 174.84 2dmq h TYR 25 N 0.18 1.02 -1.30 2.24 5.03 0.14 -3.17 116.97 121.10 2dmq h TYR 25 Ca 0.68 -0.44 0.40 0.00 2.58 0.00 0.00 58.73 61.95 2dmq h TYR 25 Cb 2.18 -0.16 -0.10 0.00 1.55 0.00 0.00 36.73 40.19 2dmq h TYR 25 CO -0.00 1.27 0.87 0.35 -1.32 0.00 0.00 178.16 179.32 2dmq h PHE 26 N 0.49 0.43 -0.03 -3.82 3.57 0.13 1.28 116.94 118.98 2dmq h PHE 26 Ca -0.04 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.28 2dmq h PHE 26 Cb 1.34 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2dmq h PHE 26 CO 0.09 -0.09 -0.81 0.00 -2.23 0.00 0.00 178.31 175.27 2dmq h ALA 27 N 1.52 0.55 0.01 2.41 0.00 -1.52 -3.33 119.26 118.91 2dmq h ALA 27 Ca 0.74 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dmq h ALA 27 Cb 2.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2dmq h ALA 27 CO -0.29 0.82 -0.01 0.82 0.00 0.00 0.00 179.25 180.59 2dmq h ILE 28 N 0.20 1.53 -2.78 0.00 2.04 0.14 -3.46 117.51 115.17 2dmq h ILE 28 Ca -0.04 -1.78 -0.13 0.00 1.00 0.00 0.00 64.86 63.91 2dmq h ILE 28 Cb 1.41 2.71 -0.26 0.00 -0.74 0.00 0.00 36.82 39.94 2dmq h ILE 28 CO 0.13 0.45 -0.32 0.21 0.00 0.00 0.00 178.15 178.62 2dmq s ASN 29 N -5.95 -0.42 -0.14 1.72 2.47 0.70 -5.06 114.94 108.26 2dmq s ASN 29 Ca -0.17 0.78 -0.22 0.00 0.42 0.00 0.00 52.86 53.67 2dmq s ASN 29 Cb -0.01 0.71 -0.25 0.00 -1.45 0.00 0.00 41.25 40.25 2dmq s ASN 29 CO 0.65 -0.16 0.56 0.45 -3.72 0.00 0.00 177.10 174.88 2dmq h HIS 30 N 6.47 0.20 -3.40 0.43 3.86 -1.82 -3.36 115.15 117.53 2dmq h HIS 30 Ca -0.33 -0.15 -0.73 0.00 -1.16 0.00 0.00 60.37 58.00 2dmq h HIS 30 Cb 1.18 -0.01 -0.33 0.00 1.06 0.00 0.00 27.41 29.31 2dmq h HIS 30 CO 0.33 1.34 0.06 -0.80 0.86 0.00 0.00 177.93 179.72 2dmq s ASN 31 N -6.73 6.38 0.73 2.45 0.01 -1.26 -4.93 114.94 111.58 2dmq s ASN 31 Ca -0.21 -3.65 -0.12 0.00 -0.71 0.00 0.00 52.86 48.17 2dmq s ASN 31 Cb 0.02 -2.00 0.03 0.00 0.41 0.00 0.00 41.25 39.72 2dmq s ASN 31 CO 0.70 -0.22 1.10 -2.16 -1.51 0.00 0.00 177.10 175.01 2dmq s PRO 32 N -1.26 2.47 0.43 -0.60 0.04 -1.26 -5.04 135.00 129.77 2dmq s PRO 32 Ca 0.28 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 2dmq s PRO 32 Cb -0.08 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2dmq s PRO 32 CO -0.11 -1.49 0.75 0.16 0.04 0.00 0.00 177.00 176.35 2dmq s ASP 33 N -3.06 6.37 0.34 6.66 1.47 -1.26 -4.84 116.67 122.35 2dmq s ASP 33 Ca 0.64 0.95 0.13 0.00 1.18 0.00 0.00 52.55 55.45 2dmq s ASP 33 Cb -0.19 -2.25 1.09 0.00 -0.34 0.00 0.00 42.92 41.23 2dmq s ASP 33 CO 0.50 -0.47 1.61 0.00 0.68 0.00 0.00 175.17 177.49 2dmq h ALA 34 N 0.74 1.82 -0.20 2.11 0.00 -1.99 0.40 119.26 122.14 2dmq h ALA 34 Ca -0.47 0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.74 2dmq h ALA 34 Cb 1.20 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 2dmq h ALA 34 CO 0.63 -0.73 -0.11 -0.22 0.00 0.00 0.00 179.25 178.82 2dmq h LYS 35 N 0.11 -0.08 -0.48 0.00 3.11 -2.00 -0.78 116.57 116.44 2dmq h LYS 35 Ca 0.74 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 58.49 2dmq h LYS 35 Cb 1.77 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.00 2dmq h LYS 35 CO -0.74 -0.06 -0.09 0.22 -2.81 0.00 0.00 179.45 175.97 2dmq h ASP 36 N -0.09 0.84 0.54 4.20 3.58 -0.65 -2.99 116.42 121.85 2dmq h ASP 36 Ca 0.11 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 2dmq h ASP 36 Cb 0.25 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2dmq h ASP 36 CO -0.26 0.96 -0.43 -0.07 -2.88 0.00 0.00 179.24 176.56 2dmq h LEU 37 N 0.78 -1.13 -1.18 2.28 3.38 -0.39 -1.67 115.31 117.39 2dmq h LEU 37 Ca 0.13 0.08 0.22 0.00 0.09 0.00 0.00 57.88 58.40 2dmq h LEU 37 Cb 0.59 0.36 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 2dmq h LEU 37 CO 0.04 -0.61 0.62 0.07 0.09 0.00 0.00 178.44 178.65 2dmq h LYS 38 N -0.94 0.57 -0.67 1.13 2.10 -1.17 0.18 116.57 117.76 2dmq h LYS 38 Ca -0.06 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.52 2dmq h LYS 38 Cb 0.80 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.97 2dmq h LYS 38 CO -0.00 0.37 0.27 1.96 -2.00 0.00 0.00 179.45 180.06 2dmq h GLN 39 N 0.58 1.00 -0.17 0.07 1.08 -1.26 -2.82 115.11 113.59 2dmq h GLN 39 Ca 0.58 -0.18 -0.18 0.00 -1.45 0.00 0.00 58.65 57.42 2dmq h GLN 39 Cb 1.15 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2dmq h GLN 39 CO -0.34 0.83 -0.63 -0.07 -0.95 0.00 0.00 178.83 177.67 2dmq h LEU 40 N 0.95 0.68 -1.07 1.46 3.38 0.14 -1.53 115.31 119.31 2dmq h LEU 40 Ca 0.22 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 57.99 2dmq h LEU 40 Cb 0.20 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 2dmq h LEU 40 CO -0.02 1.14 0.61 0.00 0.09 0.00 0.00 178.44 180.26 2dmq h ALA 41 N 0.87 1.73 0.07 1.53 0.00 -0.59 0.21 119.26 123.07 2dmq h ALA 41 Ca -0.01 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2dmq h ALA 41 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dmq h ALA 41 CO 0.12 -0.08 -1.16 1.96 0.00 0.00 0.00 179.25 180.09 2dmq h GLN 42 N 0.74 0.14 -0.05 0.00 4.20 -1.48 0.36 115.11 119.02 2dmq h GLN 42 Ca 0.56 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 59.05 2dmq h GLN 42 Cb 0.90 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 2dmq h GLN 42 CO -0.35 1.11 0.17 0.87 -0.67 0.00 0.00 178.83 179.97 2dmq h LYS 43 N -0.60 0.00 0.00 1.46 1.57 -0.85 -1.36 116.57 116.80 2dmq h LYS 43 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2dmq h LYS 43 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2dmq h LYS 43 CO -0.02 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.11 2dmq n THR 44 N -3.21 0.00 0.00 -0.16 -2.24 0.71 -4.86 114.28 104.52 2dmq n THR 44 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2dmq n THR 44 Cb 0.25 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2dmq n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmq n GLY 45 N 0.81 2.76 3.47 3.38 0.00 0.11 -4.89 105.19 110.82 2dmq n GLY 45 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2dmq n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmq s LEU 46 N 0.00 0.50 0.44 0.99 1.43 -0.40 -4.76 118.68 116.88 2dmq s LEU 46 Ca 0.00 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.55 2dmq s LEU 46 Cb 0.00 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 43.03 2dmq s LEU 46 CO 0.00 -4.38 0.53 0.28 0.23 0.00 0.00 176.35 173.01 2dmq s THR 47 N -2.46 2.78 0.11 5.49 -1.32 -1.26 -4.18 115.64 114.80 2dmq s THR 47 Ca 0.68 -1.12 -0.32 0.00 -1.21 0.00 0.00 61.69 59.73 2dmq s THR 47 Cb -0.23 -2.89 -0.11 0.00 -1.51 0.00 0.00 72.50 67.76 2dmq s THR 47 CO 0.64 0.00 1.57 0.50 -2.21 0.00 0.00 174.62 175.12 2dmq h LYS 48 N 0.71 -0.63 -0.13 7.08 1.63 -1.93 -1.84 116.57 121.47 2dmq h LYS 48 Ca -0.39 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.46 2dmq h LYS 48 Cb 1.28 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 33.03 2dmq h LYS 48 CO 0.49 -0.42 -0.15 -0.09 -3.45 0.00 0.00 179.45 175.82 2dmq h ARG 49 N -0.65 -0.09 -0.99 1.90 9.65 -1.99 0.11 114.38 122.33 2dmq h ARG 49 Ca 0.03 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.05 2dmq h ARG 49 Cb 0.70 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.15 2dmq h ARG 49 CO -0.30 -0.06 -0.44 0.28 2.80 0.00 0.00 179.97 182.25 2dmq h VAL 50 N -0.10 0.00 -0.17 0.20 2.07 -1.93 0.20 116.25 116.52 2dmq h VAL 50 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 2dmq h VAL 50 Cb 0.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.87 2dmq h VAL 50 CO -0.17 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.16 2dmq h LEU 51 N -0.01 -0.59 0.00 2.57 3.38 -0.52 0.77 115.31 120.92 2dmq h LEU 51 Ca 0.30 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.41 2dmq h LEU 51 Cb 0.55 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2dmq h LEU 51 CO -0.97 -0.23 -0.33 1.56 0.09 0.00 0.00 178.44 178.56 2dmq h GLN 52 N -0.21 -0.46 0.36 1.13 1.08 0.19 -1.46 115.11 115.74 2dmq h GLN 52 Ca 0.11 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2dmq h GLN 52 Cb 0.38 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2dmq h GLN 52 CO -0.30 -0.31 -0.44 0.28 -0.95 0.00 0.00 178.83 177.12 2dmq h VAL 53 N -0.48 0.13 -0.44 -0.54 2.07 -0.55 -1.34 116.25 115.11 2dmq h VAL 53 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2dmq h VAL 53 Cb 0.57 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2dmq h VAL 53 CO -0.27 0.00 -0.40 -0.25 0.02 0.00 0.00 177.57 176.68 2dmq h TRP 54 N -0.84 -1.24 -1.00 1.57 7.01 -0.65 0.32 115.95 121.13 2dmq h TRP 54 Ca -0.03 0.07 0.22 0.00 2.11 0.00 0.00 58.89 61.26 2dmq h TRP 54 Cb 0.76 0.60 -0.12 0.00 -2.10 0.00 0.00 29.16 28.30 2dmq h TRP 54 CO -0.26 -0.31 0.59 0.74 -2.79 0.00 0.00 178.44 176.41 2dmq h PHE 55 N -0.17 1.02 -0.47 2.65 0.04 -1.17 0.31 116.94 119.15 2dmq h PHE 55 Ca 0.07 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 2dmq h PHE 55 Cb 0.36 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2dmq h PHE 55 CO -0.81 0.13 -0.02 1.96 -0.60 0.00 0.00 178.31 178.96 2dmq h GLN 56 N 0.64 0.80 -0.04 1.51 4.20 0.59 -2.73 115.11 120.08 2dmq h GLN 56 Ca 0.62 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.95 2dmq h GLN 56 Cb 1.09 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2dmq h GLN 56 CO -0.44 0.82 -0.65 -0.91 -0.67 0.00 0.00 178.83 176.98 2dmq h ASN 57 N 0.74 0.21 0.54 1.46 2.35 0.29 -3.30 115.58 117.88 2dmq h ASN 57 Ca 0.14 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2dmq h ASN 57 Cb 0.49 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2dmq h ASN 57 CO 0.02 0.81 -0.49 0.00 -1.65 0.00 0.00 177.43 176.12 2dmq h ALA 58 N 1.19 -1.12 -0.99 -0.83 0.00 -0.60 -0.05 119.26 116.86 2dmq h ALA 58 Ca -0.01 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.03 2dmq h ALA 58 Cb 1.18 0.69 -0.16 0.00 0.00 0.00 0.00 17.79 19.50 2dmq h ALA 58 CO 0.10 -1.17 0.50 0.00 0.00 0.00 0.00 179.25 178.68 2dmq h ARG 59 N -1.02 0.22 -0.13 0.00 3.08 -1.62 0.98 114.38 115.90 2dmq h ARG 59 Ca -0.07 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 2dmq h ARG 59 Cb 0.87 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2dmq h ARG 59 CO -0.04 0.15 -0.63 0.00 -1.07 0.00 0.00 179.97 178.38 2dmq h ALA 60 N 1.88 0.67 0.12 0.04 0.00 -1.50 -2.98 119.26 117.49 2dmq h ALA 60 Ca 0.73 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dmq h ALA 60 Cb 1.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2dmq h ALA 60 CO -0.66 0.72 -0.06 -0.22 0.00 0.00 0.00 179.25 179.03 2dmq h LYS 61 N 0.34 -0.15 -1.00 0.00 3.11 0.28 -1.41 116.57 117.74 2dmq h LYS 61 Ca -0.01 0.01 0.26 0.00 -2.81 0.00 0.00 60.65 58.10 2dmq h LYS 61 Cb 1.18 0.03 -0.19 0.00 -1.00 0.00 0.00 32.23 32.26 2dmq h LYS 61 CO 0.11 -0.10 -0.02 0.34 -2.81 0.00 0.00 179.45 176.97 2dmq n PHE 62 N -2.77 0.59 0.08 1.91 -0.00 0.36 0.22 117.46 117.85 2dmq n PHE 62 Ca -0.02 1.20 -0.02 0.00 -0.00 0.00 0.00 57.45 58.62 2dmq n PHE 62 Cb 0.06 -1.22 0.24 0.00 -0.00 0.00 0.00 39.48 38.56 2dmq n PHE 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2dmq h ARG 63 N 0.00 0.29 -0.00 -4.13 3.08 -1.61 0.22 114.38 112.23 2dmq h ARG 63 Ca 0.59 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.52 2dmq h ARG 63 Cb 1.17 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2dmq h ARG 63 CO -0.95 0.60 -0.00 -0.09 -1.07 0.00 0.00 179.97 178.46 2dmq h ARG 64 N 0.25 0.00 -0.32 0.04 1.12 0.37 -2.80 114.38 113.05 2dmq h ARG 64 Ca 0.03 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.73 2dmq h ARG 64 Cb 0.72 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.68 2dmq h ARG 64 CO 0.05 0.52 -0.46 -0.97 -3.11 0.00 0.00 179.97 176.00 2dmq h ASN 65 N -0.52 0.91 -0.95 -3.80 -1.24 -0.49 -0.98 115.58 108.52 2dmq h ASN 65 Ca 0.00 -0.45 0.10 0.00 0.71 0.00 0.00 56.30 56.66 2dmq h ASN 65 Cb 0.52 -0.26 -0.07 0.00 0.73 0.00 0.00 38.32 39.24 2dmq h ASN 65 CO 0.00 1.23 0.61 0.25 -1.29 0.00 0.00 177.43 178.22 2dmq h LEU 66 N 0.67 0.88 0.00 0.34 6.46 -0.63 -1.64 115.31 121.39 2dmq h LEU 66 Ca 0.04 0.03 -0.24 0.00 -0.12 0.00 0.00 57.88 57.58 2dmq h LEU 66 Cb 1.05 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 2dmq h LEU 66 CO 0.10 0.51 -1.27 0.17 -0.62 0.00 0.00 178.44 177.33 2dmq h LEU 67 N 0.97 0.01 -9.32 2.25 8.10 -1.41 -3.45 115.31 112.46 2dmq h LEU 67 Ca 0.44 -0.02 -0.55 0.00 0.11 0.00 0.00 57.88 57.87 2dmq h LEU 67 Cb 0.40 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2dmq h LEU 67 CO -0.20 1.01 0.69 -0.60 -4.11 0.00 0.00 178.44 175.23 2dmq s ARG 68 N -2.67 4.36 -0.85 0.17 3.52 -0.38 -4.87 118.95 118.23 2dmq s ARG 68 Ca -0.01 1.66 -0.32 0.00 -0.13 0.00 0.00 55.73 56.92 2dmq s ARG 68 Cb 0.09 -3.55 -0.20 0.00 -1.56 0.00 0.00 34.95 29.73 2dmq s ARG 68 CO 0.82 -0.43 2.47 0.94 -0.81 0.00 0.00 175.30 178.29 2dmq n GLN 69 N 5.14 0.00 -4.17 5.12 -0.06 -1.26 -4.84 117.38 117.31 2dmq n GLN 69 Ca 0.11 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.98 2dmq n GLN 69 Cb 0.46 -1.44 -0.08 0.00 -4.06 0.00 0.00 30.24 25.12 2dmq n GLN 69 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2dmq s GLU 70 N 8.00 1.39 0.15 3.69 0.41 -1.26 -5.13 118.70 125.94 2dmq s GLU 70 Ca 1.27 -1.63 0.05 0.00 -0.41 0.00 0.00 54.97 54.25 2dmq s GLU 70 Cb -1.26 0.33 -0.04 0.00 -1.78 0.00 0.00 34.13 31.37 2dmq s GLU 70 CO 0.51 -0.50 -0.10 1.21 -0.49 0.00 0.00 175.26 175.88 2dmq s ASN 71 N -3.17 1.83 -0.39 -0.19 3.84 -1.26 -5.08 114.94 110.51 2dmq s ASN 71 Ca 0.36 -1.00 0.07 0.00 0.21 0.00 0.00 52.86 52.49 2dmq s ASN 71 Cb 0.04 -0.02 0.31 0.00 -0.55 0.00 0.00 41.25 41.04 2dmq s ASN 71 CO 0.14 -0.32 1.27 0.61 -2.79 0.00 0.00 177.10 176.02 2dmq n GLY 72 N -0.16 0.70 3.45 1.21 0.00 -1.26 -5.07 105.19 104.07 2dmq n GLY 72 Ca -0.10 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2dmq n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmq s GLY 73 N -0.97 2.43 -0.28 -0.02 0.00 -1.26 -4.99 107.32 102.23 2dmq s GLY 73 Ca 0.18 -3.34 -0.23 0.00 0.00 0.00 0.00 44.72 41.33 2dmq s GLY 73 CO -0.07 1.98 0.76 0.14 0.00 0.00 0.00 173.10 175.90 2dmq s VAL 74 N 1.44 4.85 0.19 1.40 1.01 -1.26 -4.95 120.40 123.08 2dmq s VAL 74 Ca 0.40 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 2dmq s VAL 74 Cb -0.04 -4.09 0.18 0.00 0.00 0.00 0.00 36.38 32.44 2dmq s VAL 74 CO -0.02 -0.14 1.63 0.77 0.00 0.00 0.00 175.10 177.35 2dmq h SER 75 N 7.96 -0.60 -4.54 3.32 4.64 -2.08 -3.48 113.55 118.77 2dmq h SER 75 Ca -0.25 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2dmq h SER 75 Cb 1.10 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2dmq h SER 75 CO 0.85 -0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 2dmq n GLY 76 N -1.40 3.37 3.76 -0.77 0.00 -1.26 -5.07 105.19 103.82 2dmq n GLY 76 Ca 0.05 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2dmq n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmq s PRO 77 N -4.09 4.45 0.36 1.61 0.04 -1.26 -5.05 135.00 131.05 2dmq s PRO 77 Ca 0.00 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.18 2dmq s PRO 77 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 2dmq s PRO 77 CO 0.00 -0.09 -0.04 0.45 0.04 0.00 0.00 177.00 177.36 2dmq s SER 78 N -0.36 3.90 0.20 6.66 0.15 -1.26 -5.15 113.70 117.85 2dmq s SER 78 Ca 0.50 -1.16 -0.23 0.00 0.70 0.00 0.00 55.95 55.76 2dmq s SER 78 Cb -0.37 -0.41 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 2dmq s SER 78 CO 0.45 -0.26 0.89 -0.44 1.20 0.00 0.00 173.24 175.09 2dmq s SER 79 N -3.66 -0.17 0.00 5.45 0.01 -1.26 -5.34 113.70 108.73 2dmq s SER 79 Ca 0.34 -0.53 0.30 0.00 1.31 0.00 0.00 55.95 57.37 2dmq s SER 79 Cb 0.03 0.58 1.41 0.00 0.21 0.00 0.00 66.02 68.25 2dmq s SER 79 CO 0.18 -1.08 1.95 0.61 0.41 0.00 0.00 173.24 175.31