#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmq s SER 2 N 0.00 -0.79 0.30 1.61 1.04 -1.26 -5.17 113.70 109.43 2dmq s SER 2 Ca 0.00 1.30 0.10 0.00 0.48 0.00 0.00 55.95 57.83 2dmq s SER 2 Cb 0.00 1.19 -0.06 0.00 0.10 0.00 0.00 66.02 67.26 2dmq s SER 2 CO 0.00 -0.22 -0.14 -0.55 0.98 0.00 0.00 173.24 173.31 2dmq s SER 3 N 1.42 3.43 0.10 7.02 0.15 -1.26 -5.16 113.70 119.40 2dmq s SER 3 Ca -0.09 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2dmq s SER 3 Cb -0.06 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2dmq s SER 3 CO -0.15 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dmq n GLY 4 N -0.66 1.64 0.49 9.45 0.00 -1.26 -5.08 105.19 109.77 2dmq n GLY 4 Ca -0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.87 2dmq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmq n SER 5 N -2.97 1.97 -4.45 1.61 3.41 -1.26 -5.00 113.62 106.93 2dmq n SER 5 Ca 0.00 0.01 -0.37 0.00 -0.26 0.00 0.00 58.87 58.25 2dmq n SER 5 Cb 0.00 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 2dmq n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmq s SER 6 N -4.64 5.20 0.00 4.04 0.01 -1.26 -4.76 113.70 112.29 2dmq s SER 6 Ca -0.02 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2dmq s SER 6 Cb 0.01 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2dmq s SER 6 CO 0.03 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2dmq n GLY 7 N 4.93 0.16 0.07 3.44 0.00 -1.26 -5.08 105.19 107.46 2dmq n GLY 7 Ca -0.16 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2dmq n GLY 7 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dmq h LYS 8 N 0.00 0.04 -3.82 1.61 3.64 -1.99 -3.45 116.57 112.59 2dmq h LYS 8 Ca 0.00 -0.06 -0.46 0.00 -1.27 0.00 0.00 60.65 58.86 2dmq h LYS 8 Cb 0.00 0.02 -0.38 0.00 -0.41 0.00 0.00 32.23 31.46 2dmq h LYS 8 CO 0.00 0.99 -0.78 1.03 -2.27 0.00 0.00 179.45 178.42 2dmq s ARG 9 N -2.41 0.83 1.22 1.90 0.52 -1.26 -5.15 118.95 114.61 2dmq s ARG 9 Ca -0.18 -0.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.83 2dmq s ARG 9 Cb -0.02 -1.17 0.29 0.00 0.52 0.00 0.00 34.95 34.57 2dmq s ARG 9 CO 0.70 -0.31 1.09 -1.64 0.02 0.00 0.00 175.30 175.16 2dmq s MET 10 N 1.90 -1.35 0.33 3.54 -1.94 -1.26 -4.94 119.30 115.58 2dmq s MET 10 Ca 0.05 -0.02 -0.29 0.00 -1.71 0.00 0.00 55.69 53.72 2dmq s MET 10 Cb -0.13 -1.58 -0.11 0.00 2.01 0.00 0.00 34.83 35.03 2dmq s MET 10 CO -0.06 -3.80 1.52 0.50 -0.01 0.00 0.00 175.02 173.16 2dmq s ARG 11 N -5.34 4.14 -0.07 2.03 6.06 -1.26 -4.88 118.95 119.63 2dmq s ARG 11 Ca 0.70 2.53 -0.29 0.00 -2.50 0.00 0.00 55.73 56.18 2dmq s ARG 11 Cb -0.11 -3.01 -0.07 0.00 0.06 0.00 0.00 34.95 31.82 2dmq s ARG 11 CO 0.56 -0.55 2.08 0.99 -2.50 0.00 0.00 175.30 175.89 2dmq s THR 12 N -0.57 3.01 -0.17 4.11 2.01 -1.26 -4.93 115.64 117.83 2dmq s THR 12 Ca 0.57 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.30 2dmq s THR 12 Cb -0.46 -3.01 0.09 0.00 0.01 0.00 0.00 72.50 69.13 2dmq s THR 12 CO 0.55 -0.00 0.83 -0.44 -0.69 0.00 0.00 174.62 174.87 2dmq s SER 13 N 6.12 -0.57 0.13 3.53 0.01 -1.26 -5.18 113.70 116.48 2dmq s SER 13 Ca 0.94 0.85 -0.06 0.00 1.31 0.00 0.00 55.95 58.99 2dmq s SER 13 Cb -0.39 0.78 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 2dmq s SER 13 CO 0.39 -0.37 0.18 -0.36 0.41 0.00 0.00 173.24 173.49 2dmq s PHE 14 N -0.51 0.47 0.16 2.43 0.08 -1.26 -5.17 117.98 114.18 2dmq s PHE 14 Ca -0.03 -0.87 0.04 0.00 0.12 0.00 0.00 56.93 56.19 2dmq s PHE 14 Cb -0.02 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 2dmq s PHE 14 CO 0.03 -0.61 0.21 0.15 -0.10 0.00 0.00 175.22 174.90 2dmq s LYS 15 N -3.96 3.17 0.21 0.44 -0.14 -1.26 -4.99 119.74 113.21 2dmq s LYS 15 Ca 0.16 -0.73 0.21 0.00 -1.36 0.00 0.00 55.97 54.24 2dmq s LYS 15 Cb 0.05 -2.81 0.90 0.00 -1.68 0.00 0.00 37.83 34.30 2dmq s LYS 15 CO -0.03 0.50 1.64 0.72 -0.76 0.00 0.00 175.35 177.42 2dmq n HIS 16 N -0.45 0.63 -0.01 3.18 8.25 -1.26 -2.29 115.22 123.26 2dmq n HIS 16 Ca -0.08 0.26 -0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2dmq n HIS 16 Cb 0.54 -0.91 -0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 -0.47 4.41 3.86 -1.99 -2.99 115.15 117.97 2dmq h HIS 17 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2dmq h HIS 17 Cb 0.29 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.68 2dmq h HIS 17 CO 0.00 0.00 -0.04 -0.56 0.86 0.00 0.00 177.93 178.19 2dmq h GLN 18 N -0.23 0.07 -0.37 2.45 3.07 -1.86 -1.67 115.11 116.57 2dmq h GLN 18 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.79 2dmq h GLN 18 Cb 0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 2dmq h GLN 18 CO 0.00 0.04 0.06 -0.07 0.09 0.00 0.00 178.83 178.95 2dmq h LEU 19 N 0.07 -0.03 -1.55 0.06 3.38 -1.65 -1.33 115.31 114.26 2dmq h LEU 19 Ca 0.23 0.07 0.51 0.00 0.09 0.00 0.00 57.88 58.78 2dmq h LEU 19 Cb 0.35 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.08 2dmq h LEU 19 CO -0.43 0.02 1.04 -1.14 0.09 0.00 0.00 178.44 178.03 2dmq n ARG 20 N -5.11 -0.03 0.07 1.13 3.00 -0.63 0.22 116.66 115.31 2dmq n ARG 20 Ca 0.02 1.22 -0.16 0.00 -0.00 0.00 0.00 57.85 58.92 2dmq n ARG 20 Cb 0.17 -2.50 -0.08 0.00 0.00 0.00 0.00 32.46 30.05 2dmq n ARG 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2dmq h THR 21 N 0.00 1.36 0.25 5.15 2.02 -1.24 -2.95 112.91 117.50 2dmq h THR 21 Ca 0.91 -2.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 2dmq h THR 21 Cb 3.12 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 72.02 2dmq h THR 21 CO -0.35 0.74 -0.12 0.24 0.37 0.00 0.00 175.52 176.40 2dmq h MET 22 N 0.26 -0.32 -0.60 6.66 2.86 0.28 -3.07 114.93 121.01 2dmq h MET 22 Ca -0.11 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.67 2dmq h MET 22 Cb 1.68 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 33.29 2dmq h MET 22 CO 0.19 -0.12 -0.23 0.87 1.06 0.00 0.00 176.91 178.67 2dmq h LYS 23 N -1.05 -0.08 -0.89 1.72 1.57 -0.74 0.40 116.57 117.50 2dmq h LYS 23 Ca -0.03 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 2dmq h LYS 23 Cb 0.35 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 2dmq h LYS 23 CO 0.06 -0.05 0.57 1.03 -0.57 0.00 0.00 179.45 180.49 2dmq h SER 24 N -0.08 0.63 -0.07 0.86 0.87 -1.64 -1.16 113.55 112.96 2dmq h SER 24 Ca 0.27 0.04 -0.24 0.00 -1.23 0.00 0.00 61.79 60.64 2dmq h SER 24 Cb 0.51 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2dmq h SER 24 CO -0.66 0.31 -0.88 0.22 -0.53 0.00 0.00 176.83 175.29 2dmq h TYR 25 N 0.66 1.03 -1.41 2.24 5.03 -0.28 -3.21 116.97 121.04 2dmq h TYR 25 Ca 0.45 -0.51 0.44 0.00 2.58 0.00 0.00 58.73 61.69 2dmq h TYR 25 Cb 0.76 -0.14 -0.11 0.00 1.55 0.00 0.00 36.73 38.80 2dmq h TYR 25 CO -0.00 1.34 0.95 0.35 -1.32 0.00 0.00 178.16 179.47 2dmq h PHE 26 N 0.42 0.38 0.01 -3.82 3.57 0.75 1.63 116.94 119.87 2dmq h PHE 26 Ca -0.09 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.22 2dmq h PHE 26 Cb 1.53 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 2dmq h PHE 26 CO 0.10 -0.12 -0.91 0.00 -2.23 0.00 0.00 178.31 175.15 2dmq h ALA 27 N 1.47 0.47 0.08 2.41 0.00 -1.55 -3.33 119.26 118.81 2dmq h ALA 27 Ca 0.80 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dmq h ALA 27 Cb 2.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.40 2dmq h ALA 27 CO -0.29 0.92 -0.04 0.82 0.00 0.00 0.00 179.25 180.66 2dmq h ILE 28 N 0.12 1.18 -3.36 0.00 2.04 0.22 -3.46 117.51 114.24 2dmq h ILE 28 Ca -0.05 -1.25 -0.22 0.00 1.00 0.00 0.00 64.86 64.34 2dmq h ILE 28 Cb 1.55 1.95 -0.29 0.00 -0.74 0.00 0.00 36.82 39.29 2dmq h ILE 28 CO 0.14 0.29 -0.59 0.21 0.00 0.00 0.00 178.15 178.21 2dmq s ASN 29 N -5.63 -0.12 -0.15 1.72 2.47 -0.04 -5.06 114.94 108.13 2dmq s ASN 29 Ca -0.15 0.27 -0.25 0.00 0.42 0.00 0.00 52.86 53.15 2dmq s ASN 29 Cb 0.01 0.22 -0.23 0.00 -1.45 0.00 0.00 41.25 39.80 2dmq s ASN 29 CO 0.59 -0.09 0.58 0.45 -3.72 0.00 0.00 177.10 174.91 2dmq h HIS 30 N 6.48 0.00 -3.43 0.43 3.86 -1.84 -3.37 115.15 117.27 2dmq h HIS 30 Ca -0.32 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.15 2dmq h HIS 30 Cb 1.18 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.32 2dmq h HIS 30 CO 0.42 1.04 0.04 0.54 0.86 0.00 0.00 177.93 180.83 2dmq s ASN 31 N -6.32 6.34 0.04 2.45 2.20 -1.26 -4.91 114.94 113.49 2dmq s ASN 31 Ca -0.20 -3.58 -0.31 0.00 -0.94 0.00 0.00 52.86 47.84 2dmq s ASN 31 Cb -0.01 -2.00 -0.06 0.00 -2.00 0.00 0.00 41.25 37.18 2dmq s ASN 31 CO 0.62 -0.24 1.41 -2.16 -2.94 0.00 0.00 177.10 173.79 2dmq s PRO 32 N -1.16 4.29 0.95 3.55 0.04 -1.26 -5.00 135.00 136.41 2dmq s PRO 32 Ca 0.27 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 2dmq s PRO 32 Cb -0.09 -3.47 0.16 0.00 0.04 0.00 0.00 34.50 31.15 2dmq s PRO 32 CO -0.10 -0.54 1.11 -0.51 0.04 0.00 0.00 177.00 177.00 2dmq s ASP 33 N 1.66 2.70 0.31 6.66 1.01 -1.26 -4.58 116.67 123.18 2dmq s ASP 33 Ca 0.65 1.98 0.08 0.00 0.71 0.00 0.00 52.55 55.97 2dmq s ASP 33 Cb -0.34 -2.49 0.88 0.00 1.01 0.00 0.00 42.92 41.99 2dmq s ASP 33 CO 0.28 -3.20 1.69 0.00 0.21 0.00 0.00 175.17 174.15 2dmq h ALA 34 N -1.94 1.68 -0.78 5.23 0.00 -1.98 0.25 119.26 121.72 2dmq h ALA 34 Ca -0.47 0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.75 2dmq h ALA 34 Cb 1.28 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 2dmq h ALA 34 CO 0.45 -0.40 0.33 -0.22 0.00 0.00 0.00 179.25 179.41 2dmq h LYS 35 N 0.41 0.46 0.01 0.00 3.11 -2.00 0.11 116.57 118.67 2dmq h LYS 35 Ca 0.64 -0.03 -0.19 0.00 -2.81 0.00 0.00 60.65 58.26 2dmq h LYS 35 Cb 1.30 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.40 2dmq h LYS 35 CO -0.55 0.31 -0.87 0.22 -2.81 0.00 0.00 179.45 175.75 2dmq h ASP 36 N 0.48 0.09 0.01 4.20 3.58 -0.88 -3.05 116.42 120.85 2dmq h ASP 36 Ca 0.43 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 2dmq h ASP 36 Cb 0.64 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2dmq h ASP 36 CO -0.40 0.91 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.80 2dmq h LEU 37 N 0.03 -0.01 -1.43 2.28 3.38 0.34 -0.90 115.31 119.01 2dmq h LEU 37 Ca -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2dmq h LEU 37 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 2dmq h LEU 37 CO 0.12 0.20 0.14 0.07 0.09 0.00 0.00 178.44 179.06 2dmq h LYS 38 N -0.21 0.52 -0.08 1.13 2.10 -0.96 -0.85 116.57 118.22 2dmq h LYS 38 Ca -0.00 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 2dmq h LYS 38 Cb 0.21 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2dmq h LYS 38 CO 0.00 0.44 -0.04 1.96 -2.00 0.00 0.00 179.45 179.81 2dmq h GLN 39 N 0.52 0.16 -0.41 0.07 4.20 -1.39 -3.24 115.11 115.03 2dmq h GLN 39 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2dmq h GLN 39 Cb 0.12 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2dmq h GLN 39 CO -0.01 0.54 0.20 -0.07 -0.67 0.00 0.00 178.83 178.81 2dmq h LEU 40 N -0.21 0.53 -1.99 1.46 3.38 -0.90 -2.49 115.31 115.09 2dmq h LEU 40 Ca 0.02 -0.12 0.57 0.00 0.09 0.00 0.00 57.88 58.44 2dmq h LEU 40 Cb 0.49 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2dmq h LEU 40 CO 0.01 0.51 1.43 0.00 0.09 0.00 0.00 178.44 180.48 2dmq h ALA 41 N 1.05 3.88 0.01 1.53 0.00 -1.18 0.46 119.26 125.01 2dmq h ALA 41 Ca 0.14 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2dmq h ALA 41 Cb 0.11 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2dmq h ALA 41 CO -0.02 -2.45 -0.83 1.96 0.00 0.00 0.00 179.25 177.92 2dmq h GLN 42 N 0.00 0.01 -0.32 0.00 4.20 -1.54 0.45 115.11 117.90 2dmq h GLN 42 Ca 0.94 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.72 2dmq h GLN 42 Cb 3.79 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 31.56 2dmq h GLN 42 CO -0.01 1.01 0.40 0.87 -0.67 0.00 0.00 178.83 180.43 2dmq h LYS 43 N -0.96 0.00 0.00 1.46 1.57 -0.05 -1.13 116.57 117.46 2dmq h LYS 43 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2dmq h LYS 43 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2dmq h LYS 43 CO -0.12 0.00 -1.03 0.25 -0.57 0.00 0.00 179.45 177.98 2dmq n THR 44 N -3.61 0.00 0.00 -0.16 -2.24 -0.10 -4.77 114.28 103.39 2dmq n THR 44 Ca 0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2dmq n THR 44 Cb 0.55 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.92 3.06 3.57 3.38 0.00 0.15 -4.87 105.19 112.40 2dmq n GLY 45 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 1.15 0.65 0.99 1.43 -0.89 -4.82 118.68 117.18 2dmq s LEU 46 Ca 0.00 1.36 -0.07 0.00 -1.03 0.00 0.00 54.13 54.39 2dmq s LEU 46 Cb 0.00 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.87 2dmq s LEU 46 CO 0.00 -3.75 0.97 0.42 0.23 0.00 0.00 176.35 174.22 2dmq s THR 47 N -2.69 2.99 0.19 5.49 -4.23 -1.26 -4.44 115.64 111.69 2dmq s THR 47 Ca 0.67 -0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.96 2dmq s THR 47 Cb -0.22 -3.24 0.09 0.00 1.34 0.00 0.00 72.50 70.47 2dmq s THR 47 CO 0.61 -0.26 1.82 0.50 -0.54 0.00 0.00 174.62 176.75 2dmq h LYS 48 N -0.41 0.63 0.57 3.99 3.64 -1.93 -2.61 116.57 120.45 2dmq h LYS 48 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2dmq h LYS 48 Cb 1.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2dmq h LYS 48 CO 0.61 0.42 -0.44 -0.09 -2.27 0.00 0.00 179.45 177.68 2dmq h ARG 49 N 0.65 -0.95 -0.76 1.90 9.65 -1.98 -1.83 114.38 121.08 2dmq h ARG 49 Ca 0.23 0.06 0.15 0.00 -1.10 0.00 0.00 59.98 59.33 2dmq h ARG 49 Cb 0.05 0.22 -0.14 0.00 -1.39 0.00 0.00 29.97 28.70 2dmq h ARG 49 CO -0.11 -0.63 -0.22 0.28 2.80 0.00 0.00 179.97 182.09 2dmq h VAL 50 N -0.98 0.21 -0.00 0.20 2.07 -1.92 -0.05 116.25 115.78 2dmq h VAL 50 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2dmq h VAL 50 Cb 0.83 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2dmq h VAL 50 CO 0.01 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.34 2dmq h LEU 51 N -0.02 -0.56 -0.05 2.57 3.38 -1.22 -1.11 115.31 118.30 2dmq h LEU 51 Ca 0.35 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.42 2dmq h LEU 51 Cb 0.56 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2dmq h LEU 51 CO -0.79 -0.25 -0.41 1.56 0.09 0.00 0.00 178.44 178.64 2dmq h GLN 52 N -0.30 -0.45 -0.21 1.13 1.08 -0.18 -0.70 115.11 115.48 2dmq h GLN 52 Ca 0.06 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 2dmq h GLN 52 Cb 0.38 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.84 2dmq h GLN 52 CO -0.18 -0.30 -0.49 0.28 -0.95 0.00 0.00 178.83 177.19 2dmq h VAL 53 N -0.47 0.06 -0.46 -0.54 2.07 -1.18 0.94 116.25 116.67 2dmq h VAL 53 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2dmq h VAL 53 Cb 0.53 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 2dmq h VAL 53 CO -0.30 0.00 -0.45 -0.25 0.02 0.00 0.00 177.57 176.59 2dmq h TRP 54 N -0.50 -1.41 -0.51 1.57 7.01 -0.89 0.31 115.95 121.53 2dmq h TRP 54 Ca 0.07 0.08 0.10 0.00 2.11 0.00 0.00 58.89 61.24 2dmq h TRP 54 Cb 0.64 0.68 -0.08 0.00 -2.10 0.00 0.00 29.16 28.30 2dmq h TRP 54 CO -0.58 -0.37 0.02 0.74 -2.79 0.00 0.00 178.44 175.47 2dmq h PHE 55 N -0.23 0.01 -0.69 2.65 -1.00 -0.73 0.52 116.94 117.47 2dmq h PHE 55 Ca 0.08 0.04 0.08 0.00 2.81 0.00 0.00 57.97 60.97 2dmq h PHE 55 Cb 0.43 0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 2dmq h PHE 55 CO -0.79 -0.09 0.46 1.96 -1.61 0.00 0.00 178.31 178.23 2dmq h GLN 56 N 0.14 0.63 -0.20 1.51 4.20 0.76 -0.94 115.11 121.21 2dmq h GLN 56 Ca 0.26 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 2dmq h GLN 56 Cb 0.38 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2dmq h GLN 56 CO -0.40 0.41 -0.45 -0.91 -0.67 0.00 0.00 178.83 176.81 2dmq h ASN 57 N 0.64 0.54 0.55 1.46 2.35 0.17 -3.23 115.58 118.07 2dmq h ASN 57 Ca 0.31 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2dmq h ASN 57 Cb 0.37 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2dmq h ASN 57 CO -0.10 0.92 -0.39 0.00 -1.65 0.00 0.00 177.43 176.21 2dmq h ALA 58 N 1.10 -0.95 -1.00 -0.83 0.00 -0.03 -1.60 119.26 115.96 2dmq h ALA 58 Ca 0.03 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.05 2dmq h ALA 58 Cb 0.96 0.51 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 2dmq h ALA 58 CO 0.08 -1.06 0.58 0.00 0.00 0.00 0.00 179.25 178.86 2dmq h ARG 59 N -0.91 0.43 -0.24 0.00 3.08 -1.55 0.23 114.38 115.41 2dmq h ARG 59 Ca -0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2dmq h ARG 59 Cb 0.76 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2dmq h ARG 59 CO 0.03 0.28 0.01 0.00 -1.07 0.00 0.00 179.97 179.22 2dmq h ALA 60 N 1.80 0.32 0.69 0.04 0.00 -1.46 -3.06 119.26 117.59 2dmq h ALA 60 Ca 0.70 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2dmq h ALA 60 Cb 1.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2dmq h ALA 60 CO -0.55 0.04 -0.33 -0.22 0.00 0.00 0.00 179.25 178.19 2dmq h LYS 61 N 0.20 -0.90 -0.54 0.00 3.64 0.32 -3.26 116.57 116.03 2dmq h LYS 61 Ca 0.07 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2dmq h LYS 61 Cb 0.39 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 2dmq h LYS 61 CO 0.01 -0.60 -0.32 0.34 -2.27 0.00 0.00 179.45 176.61 2dmq n PHE 62 N -4.78 -0.24 -0.29 1.91 -0.00 0.04 0.59 117.46 114.70 2dmq n PHE 62 Ca -0.12 0.68 0.03 0.00 -0.00 0.00 0.00 57.45 58.05 2dmq n PHE 62 Cb 0.37 -0.51 0.09 0.00 -0.00 0.00 0.00 39.48 39.43 2dmq n PHE 62 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2dmq n ARG 63 N -4.34 -0.10 -0.03 -4.13 1.74 -1.16 0.11 116.66 108.77 2dmq n ARG 63 Ca 0.01 1.21 -0.09 0.00 -0.77 0.00 0.00 57.85 58.22 2dmq n ARG 63 Cb 0.14 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 2dmq n ARG 63 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2dmq h ARG 64 N 0.00 -0.06 0.00 5.56 2.43 0.10 -0.15 114.38 122.27 2dmq h ARG 64 Ca 0.35 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2dmq h ARG 64 Cb 0.54 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2dmq h ARG 64 CO -0.80 -0.04 -0.15 -0.91 -1.51 0.00 0.00 179.97 176.57 2dmq h ASN 65 N -0.06 0.00 -0.06 -3.80 4.21 0.12 0.17 115.58 116.16 2dmq h ASN 65 Ca 0.09 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.58 2dmq h ASN 65 Cb 0.20 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2dmq h ASN 65 CO -0.21 0.15 -0.07 0.25 -1.29 0.00 0.00 177.43 176.26 2dmq h LEU 66 N 0.00 0.16 -0.50 1.61 6.46 0.75 -3.25 115.31 120.54 2dmq h LEU 66 Ca -0.00 -0.50 -0.17 0.00 -0.12 0.00 0.00 57.88 57.09 2dmq h LEU 66 Cb 0.29 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2dmq h LEU 66 CO 0.02 0.63 -0.66 0.17 -0.62 0.00 0.00 178.44 177.98 2dmq h LEU 67 N -0.31 0.42 -7.86 2.25 8.10 -0.82 -3.39 115.31 113.70 2dmq h LEU 67 Ca 0.01 -0.26 -0.72 0.00 0.11 0.00 0.00 57.88 57.03 2dmq h LEU 67 Cb 0.59 -0.12 -0.31 0.00 -0.44 0.00 0.00 40.66 40.37 2dmq h LEU 67 CO 0.02 0.96 -0.41 -0.60 -4.11 0.00 0.00 178.44 174.30 2dmq s ARG 68 N -3.71 2.41 -0.61 0.17 3.52 0.58 -5.03 118.95 116.28 2dmq s ARG 68 Ca -0.05 -1.92 -0.26 0.00 -0.13 0.00 0.00 55.73 53.37 2dmq s ARG 68 Cb 0.11 -3.83 -0.06 0.00 -1.56 0.00 0.00 34.95 29.61 2dmq s ARG 68 CO 0.82 -1.16 2.15 -0.65 -0.81 0.00 0.00 175.30 175.65 2dmq s GLN 69 N 1.06 2.29 -0.06 5.12 -1.52 -1.25 -4.47 119.66 120.84 2dmq s GLN 69 Ca 0.08 0.83 -0.21 0.00 -1.95 0.00 0.00 55.36 54.12 2dmq s GLN 69 Cb -0.24 -4.58 0.04 0.00 -0.22 0.00 0.00 33.01 28.02 2dmq s GLN 69 CO -0.02 -3.20 0.47 -2.00 -0.25 0.00 0.00 175.29 170.29 2dmq s GLU 70 N 7.73 0.79 -1.35 2.91 2.12 -1.26 -4.94 118.70 124.71 2dmq s GLU 70 Ca 0.82 0.11 -0.00 0.00 0.36 0.00 0.00 54.97 56.27 2dmq s GLU 70 Cb -0.14 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2dmq s GLU 70 CO 0.19 -0.22 0.00 0.09 -0.54 0.00 0.00 175.26 174.79 2dmq n ASN 71 N 1.40 0.82 -2.02 -1.70 3.02 -1.26 -4.89 115.26 110.63 2dmq n ASN 71 Ca -0.19 -1.11 -0.07 0.00 -0.03 0.00 0.00 54.58 53.17 2dmq n ASN 71 Cb 0.56 -1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.33 2dmq n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmq n GLY 72 N -2.38 3.79 0.00 7.41 0.00 -1.26 -5.16 105.19 107.59 2dmq n GLY 72 Ca -0.29 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2dmq n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmq n GLY 73 N 0.83 3.06 3.53 -0.02 0.00 -1.26 -5.13 105.19 106.20 2dmq n GLY 73 Ca -0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2dmq n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dmq n VAL 74 N 0.00 2.18 -1.85 1.61 0.31 -1.26 -4.97 118.33 114.35 2dmq n VAL 74 Ca 0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 2dmq n VAL 74 Cb 0.00 -0.84 0.17 0.00 -0.91 0.00 0.00 33.84 32.25 2dmq n VAL 74 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dmq s SER 75 N -0.86 3.28 -0.39 4.52 1.04 -1.26 -5.08 113.70 114.96 2dmq s SER 75 Ca 0.64 0.44 -0.03 0.00 0.48 0.00 0.00 55.95 57.47 2dmq s SER 75 Cb -0.59 -0.62 0.20 0.00 0.10 0.00 0.00 66.02 65.12 2dmq s SER 75 CO 0.57 -2.64 0.99 -0.83 0.98 0.00 0.00 173.24 172.31 2dmq s GLY 76 N -4.71 -1.71 0.96 7.32 0.00 -1.26 -5.17 107.32 102.75 2dmq s GLY 76 Ca 0.71 0.40 -0.12 0.00 0.00 0.00 0.00 44.72 45.71 2dmq s GLY 76 CO 0.52 4.13 1.09 2.56 0.00 0.00 0.00 173.10 181.41 2dmq s PRO 77 N 1.08 0.77 0.32 2.90 0.04 -1.26 -5.09 135.00 133.76 2dmq s PRO 77 Ca 0.24 0.64 0.05 0.00 0.04 0.00 0.00 61.00 61.97 2dmq s PRO 77 Cb 0.08 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2dmq s PRO 77 CO -0.10 -2.53 0.17 -1.13 0.04 0.00 0.00 177.00 173.45 2dmq n SER 78 N -4.06 0.50 -4.16 6.66 3.41 -1.26 -5.18 113.62 109.53 2dmq n SER 78 Ca 0.06 -2.84 -0.22 0.00 -0.26 0.00 0.00 58.87 55.61 2dmq n SER 78 Cb 0.56 1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.57 2dmq n SER 78 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmq n SER 79 N -1.72 2.64 0.00 4.04 7.64 -1.26 -5.37 113.62 119.59 2dmq n SER 79 Ca -0.01 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2dmq n SER 79 Cb 0.51 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2dmq n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64