#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 -0.23 0.15 1.61 1.04 -1.26 -5.17 113.70 109.84 2dmq s SER 2 Ca 0.00 0.27 0.11 0.00 0.48 0.00 0.00 55.95 56.80 2dmq s SER 2 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2dmq s SER 2 CO 0.00 -0.33 -0.24 -0.55 0.98 0.00 0.00 173.24 173.10 2dmq s SER 3 N -0.83 3.49 0.00 7.02 0.15 -1.26 -5.14 113.70 117.13 2dmq s SER 3 Ca -0.09 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2dmq s SER 3 Cb -0.04 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2dmq s SER 3 CO 0.03 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dmq n GLY 4 N 0.63 -2.92 3.42 9.45 0.00 -1.26 -4.87 105.19 109.63 2dmq n GLY 4 Ca -0.15 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2dmq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmq n SER 5 N 0.00 -1.80 -0.12 1.61 2.88 -1.26 -4.96 113.62 109.96 2dmq n SER 5 Ca 0.00 0.48 -0.22 0.00 -1.33 0.00 0.00 58.87 57.80 2dmq n SER 5 Cb 0.00 -1.18 -0.10 0.00 -0.75 0.00 0.00 64.21 62.18 2dmq n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dmq n SER 6 N -0.38 1.95 -3.29 -3.46 3.41 -1.26 -4.90 113.62 105.70 2dmq n SER 6 Ca 0.08 0.11 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 2dmq n SER 6 Cb 0.51 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 2dmq n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmq s GLY 7 N -5.82 0.33 0.76 5.00 0.00 -1.26 -5.14 107.32 101.19 2dmq s GLY 7 Ca -0.33 -1.54 -0.14 0.00 0.00 0.00 0.00 44.72 42.71 2dmq s GLY 7 CO 0.48 2.58 1.20 0.54 0.00 0.00 0.00 173.10 177.90 2dmq s LYS 8 N 0.81 1.98 -0.89 2.90 1.02 -1.26 -4.88 119.74 119.42 2dmq s LYS 8 Ca 0.25 1.73 -0.25 0.00 0.02 0.00 0.00 55.97 57.72 2dmq s LYS 8 Cb -0.07 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2dmq s LYS 8 CO -0.08 -1.95 1.62 0.50 -0.92 0.00 0.00 175.35 174.52 2dmq s ARG 9 N -4.03 3.09 0.10 1.68 3.00 -1.26 -4.92 118.95 116.61 2dmq s ARG 9 Ca 0.73 -0.51 -0.09 0.00 -1.00 0.00 0.00 55.73 54.86 2dmq s ARG 9 Cb -0.28 -4.96 -0.00 0.00 0.00 0.00 0.00 34.95 29.71 2dmq s ARG 9 CO 0.47 -2.62 0.21 -1.64 0.00 0.00 0.00 175.30 171.72 2dmq s MET 10 N 5.98 0.89 -0.79 5.12 -1.94 -1.26 -5.09 119.30 122.20 2dmq s MET 10 Ca 0.54 -0.98 -0.25 0.00 -1.71 0.00 0.00 55.69 53.29 2dmq s MET 10 Cb -0.05 0.35 -0.01 0.00 2.01 0.00 0.00 34.83 37.13 2dmq s MET 10 CO 0.01 -0.29 1.73 0.50 -0.01 0.00 0.00 175.02 176.95 2dmq s ARG 11 N -3.87 2.85 -0.06 2.03 3.52 -1.26 -4.96 118.95 117.19 2dmq s ARG 11 Ca 0.06 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 2dmq s ARG 11 Cb 0.05 -4.72 -0.03 0.00 -1.56 0.00 0.00 34.95 28.68 2dmq s ARG 11 CO -0.10 -2.77 -0.06 -0.08 -0.81 0.00 0.00 175.30 171.49 2dmq s THR 12 N 8.22 3.80 1.01 4.11 -1.32 -1.26 -5.11 115.64 125.08 2dmq s THR 12 Ca 0.59 -0.47 -0.11 0.00 -1.21 0.00 0.00 61.69 60.49 2dmq s THR 12 Cb -0.08 -2.57 0.20 0.00 -1.51 0.00 0.00 72.50 68.54 2dmq s THR 12 CO 0.08 0.58 1.09 -0.55 -2.21 0.00 0.00 174.62 173.61 2dmq s SER 13 N -0.88 2.28 0.11 8.08 0.15 -1.26 -5.05 113.70 117.13 2dmq s SER 13 Ca 0.13 1.77 0.07 0.00 0.70 0.00 0.00 55.95 58.61 2dmq s SER 13 Cb -0.11 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2dmq s SER 13 CO 0.02 -3.43 -0.16 -0.36 1.20 0.00 0.00 173.24 170.51 2dmq s PHE 14 N -2.64 1.50 0.92 3.44 0.08 -1.26 -5.16 117.98 114.86 2dmq s PHE 14 Ca 0.67 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 57.08 2dmq s PHE 14 Cb -0.22 -0.80 0.21 0.00 -0.57 0.00 0.00 43.02 41.64 2dmq s PHE 14 CO 0.60 0.16 1.25 1.63 -0.10 0.00 0.00 175.22 178.76 2dmq n LYS 15 N 0.77 -1.10 -0.03 0.44 4.76 -1.26 -4.99 118.16 116.74 2dmq n LYS 15 Ca -0.17 -2.08 -0.22 0.00 -2.87 0.00 0.00 58.31 52.98 2dmq n LYS 15 Cb 0.56 -1.24 -0.13 0.00 -1.84 0.00 0.00 35.03 32.38 2dmq n LYS 15 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2dmq n HIS 16 N -3.65 1.10 0.13 2.13 -0.00 -1.26 -3.23 115.22 110.43 2dmq n HIS 16 Ca 0.16 0.28 -0.13 0.00 0.46 0.00 0.00 57.72 58.49 2dmq n HIS 16 Cb 0.56 -1.14 -0.06 0.00 -0.12 0.00 0.00 29.99 29.24 2dmq n HIS 16 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2dmq h HIS 17 N -0.19 -0.71 -0.06 1.57 2.07 -1.99 0.59 115.15 116.43 2dmq h HIS 17 Ca -0.43 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2dmq h HIS 17 Cb 1.86 0.29 -0.00 0.00 2.57 0.00 0.00 27.41 32.13 2dmq h HIS 17 CO 0.07 -0.37 0.02 -0.56 -3.07 0.00 0.00 177.93 174.03 2dmq h GLN 18 N -0.49 0.09 -0.32 5.12 3.07 -1.87 -2.69 115.11 118.02 2dmq h GLN 18 Ca 0.02 -0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.76 2dmq h GLN 18 Cb 0.50 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 2dmq h GLN 18 CO -0.13 0.23 0.21 -0.07 0.09 0.00 0.00 178.83 179.16 2dmq h LEU 19 N -0.06 0.32 -0.90 0.06 3.38 -1.49 -1.77 115.31 114.84 2dmq h LEU 19 Ca 0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2dmq h LEU 19 Cb 0.17 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2dmq h LEU 19 CO -0.00 0.22 0.58 -0.09 0.09 0.00 0.00 178.44 179.24 2dmq h ARG 20 N 0.37 1.08 -0.00 1.13 2.43 0.53 0.56 114.38 120.47 2dmq h ARG 20 Ca 0.12 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 2dmq h ARG 20 Cb 0.05 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2dmq h ARG 20 CO -0.03 0.71 -0.85 1.15 -1.51 0.00 0.00 179.97 179.44 2dmq h THR 21 N 1.11 1.49 0.08 0.20 2.02 -1.25 -2.97 112.91 113.59 2dmq h THR 21 Ca 0.37 -2.59 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 2dmq h THR 21 Cb 0.04 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2dmq h THR 21 CO -0.13 0.75 -0.04 0.24 0.37 0.00 0.00 175.52 176.71 2dmq h MET 22 N 0.10 -0.11 -0.80 6.66 2.86 -0.77 -2.88 114.93 120.00 2dmq h MET 22 Ca -0.04 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.76 2dmq h MET 22 Cb 1.47 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 33.01 2dmq h MET 22 CO 0.13 -0.07 -0.29 0.87 1.06 0.00 0.00 176.91 178.61 2dmq h LYS 23 N -0.48 -0.05 -0.83 1.72 1.57 -0.06 0.69 116.57 119.13 2dmq h LYS 23 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2dmq h LYS 23 Cb 0.08 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 2dmq h LYS 23 CO 0.02 -0.03 0.54 1.03 -0.57 0.00 0.00 179.45 180.44 2dmq h SER 24 N -0.05 0.79 -0.37 0.86 0.87 -1.67 -1.97 113.55 112.01 2dmq h SER 24 Ca 0.34 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2dmq h SER 24 Cb 0.59 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2dmq h SER 24 CO -0.84 0.50 -0.12 0.22 -0.53 0.00 0.00 176.83 176.06 2dmq h TYR 25 N 0.89 0.83 -1.00 2.24 5.03 0.50 -3.03 116.97 122.44 2dmq h TYR 25 Ca 0.37 -0.19 0.35 0.00 2.58 0.00 0.00 58.73 61.84 2dmq h TYR 25 Cb 0.27 -0.20 -0.16 0.00 1.55 0.00 0.00 36.73 38.19 2dmq h TYR 25 CO -0.00 0.89 0.55 0.35 -1.32 0.00 0.00 178.16 178.63 2dmq h PHE 26 N 0.53 0.88 -0.19 -3.82 3.57 -0.05 1.01 116.94 118.86 2dmq h PHE 26 Ca 0.09 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 2dmq h PHE 26 Cb 0.64 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2dmq h PHE 26 CO 0.05 -0.28 -0.58 0.00 -2.23 0.00 0.00 178.31 175.27 2dmq h ALA 27 N 1.90 0.62 0.12 2.41 0.00 -1.54 -3.16 119.26 119.61 2dmq h ALA 27 Ca 0.77 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dmq h ALA 27 Cb 1.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2dmq h ALA 27 CO -0.66 0.69 -0.06 0.82 0.00 0.00 0.00 179.25 180.04 2dmq h ILE 28 N 0.46 1.07 -2.84 0.00 2.04 0.91 -3.43 117.51 115.72 2dmq h ILE 28 Ca 0.00 -0.86 -0.40 0.00 1.00 0.00 0.00 64.86 64.60 2dmq h ILE 28 Cb 1.14 1.59 -0.39 0.00 -0.74 0.00 0.00 36.82 38.43 2dmq h ILE 28 CO 0.11 0.20 -0.70 0.21 0.00 0.00 0.00 178.15 177.97 2dmq s ASN 29 N -5.42 1.96 0.10 1.72 2.47 0.52 -5.02 114.94 111.26 2dmq s ASN 29 Ca -0.15 -0.46 -0.17 0.00 0.42 0.00 0.00 52.86 52.51 2dmq s ASN 29 Cb 0.02 0.01 -0.06 0.00 -1.45 0.00 0.00 41.25 39.76 2dmq s ASN 29 CO 0.61 -0.34 1.53 0.45 -3.72 0.00 0.00 177.10 175.62 2dmq h HIS 30 N 8.38 0.60 -3.40 0.43 3.86 -1.79 -3.35 115.15 119.87 2dmq h HIS 30 Ca -0.16 -0.11 -0.73 0.00 -1.16 0.00 0.00 60.37 58.21 2dmq h HIS 30 Cb 1.15 -0.15 -0.33 0.00 1.06 0.00 0.00 27.41 29.13 2dmq h HIS 30 CO 0.15 0.70 0.05 -0.80 0.86 0.00 0.00 177.93 178.88 2dmq s ASN 31 N -6.08 6.34 0.38 2.45 0.01 -1.26 -4.96 114.94 111.82 2dmq s ASN 31 Ca -0.13 -3.64 -0.26 0.00 -0.71 0.00 0.00 52.86 48.12 2dmq s ASN 31 Cb 0.08 -1.99 -0.09 0.00 0.41 0.00 0.00 41.25 39.66 2dmq s ASN 31 CO 0.77 -0.23 1.20 -2.16 -1.51 0.00 0.00 177.10 175.17 2dmq s PRO 32 N -1.25 4.12 0.87 -0.60 0.04 -1.26 -5.04 135.00 131.88 2dmq s PRO 32 Ca 0.28 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 2dmq s PRO 32 Cb -0.08 -2.77 0.16 0.00 0.04 0.00 0.00 34.50 31.85 2dmq s PRO 32 CO -0.11 -0.29 1.20 -0.51 0.04 0.00 0.00 177.00 177.33 2dmq s ASP 33 N -0.99 3.66 0.18 6.66 1.01 -1.26 -4.80 116.67 121.12 2dmq s ASP 33 Ca 0.55 0.13 -0.14 0.00 0.71 0.00 0.00 52.55 53.80 2dmq s ASP 33 Cb -0.33 -0.33 0.14 0.00 1.01 0.00 0.00 42.92 43.41 2dmq s ASP 33 CO 0.42 -2.36 1.75 0.00 0.21 0.00 0.00 175.17 175.18 2dmq h ALA 34 N -1.22 0.55 -0.60 5.23 0.00 -1.99 0.20 119.26 121.44 2dmq h ALA 34 Ca -0.42 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.65 2dmq h ALA 34 Cb 1.25 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 2dmq h ALA 34 CO 0.42 -0.23 0.18 -0.22 0.00 0.00 0.00 179.25 179.40 2dmq h LYS 35 N 0.33 0.33 -0.48 0.00 3.11 -2.00 -0.64 116.57 117.22 2dmq h LYS 35 Ca 0.22 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.91 2dmq h LYS 35 Cb 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 2dmq h LYS 35 CO -0.23 0.22 -0.20 -0.44 -2.81 0.00 0.00 179.45 175.99 2dmq h ASP 36 N 0.34 0.98 0.52 4.20 3.32 -1.75 -2.66 116.42 121.37 2dmq h ASP 36 Ca 0.31 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2dmq h ASP 36 Cb 0.42 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2dmq h ASP 36 CO -0.34 1.15 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.88 2dmq h LEU 37 N 0.84 -0.98 -1.12 1.55 3.38 0.15 -0.24 115.31 118.89 2dmq h LEU 37 Ca 0.11 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2dmq h LEU 37 Cb 0.77 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 2dmq h LEU 37 CO 0.06 -0.56 0.61 0.07 0.09 0.00 0.00 178.44 178.71 2dmq h LYS 38 N -0.87 0.86 -0.15 1.13 2.10 -1.19 -0.99 116.57 117.46 2dmq h LYS 38 Ca -0.06 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2dmq h LYS 38 Cb 0.73 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2dmq h LYS 38 CO 0.02 0.57 0.06 1.96 -2.00 0.00 0.00 179.45 180.06 2dmq h GLN 39 N 0.89 0.21 -0.71 0.07 4.20 -1.08 -2.96 115.11 115.74 2dmq h GLN 39 Ca 0.47 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.15 2dmq h GLN 39 Cb 0.55 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2dmq h GLN 39 CO -0.24 0.29 0.47 -0.07 -0.67 0.00 0.00 178.83 178.61 2dmq h LEU 40 N 0.09 0.81 -1.98 1.46 3.38 -0.17 -0.82 115.31 118.09 2dmq h LEU 40 Ca 0.05 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.24 2dmq h LEU 40 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2dmq h LEU 40 CO -0.00 0.59 0.63 0.00 0.09 0.00 0.00 178.44 179.74 2dmq h ALA 41 N 1.26 2.77 0.00 1.53 0.00 -1.05 0.55 119.26 124.32 2dmq h ALA 41 Ca 0.26 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 2dmq h ALA 41 Cb -0.11 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2dmq h ALA 41 CO -0.06 -1.06 -1.09 1.96 0.00 0.00 0.00 179.25 179.00 2dmq h GLN 42 N 0.00 0.00 -0.65 0.00 1.08 -1.24 0.42 115.11 114.72 2dmq h GLN 42 Ca 0.40 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.79 2dmq h GLN 42 Cb 1.66 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.06 2dmq h GLN 42 CO -0.00 0.84 0.53 0.87 -0.95 0.00 0.00 178.83 180.12 2dmq h LYS 43 N -1.00 0.00 0.00 1.46 1.57 -0.56 -2.75 116.57 115.30 2dmq h LYS 43 Ca -0.28 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.30 2dmq h LYS 43 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2dmq h LYS 43 CO -0.17 0.00 -1.76 0.25 -0.57 0.00 0.00 179.45 177.20 2dmq n THR 44 N -4.07 0.77 0.00 -0.16 -2.24 0.13 -4.85 114.28 103.86 2dmq n THR 44 Ca 0.13 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2dmq n THR 44 Cb 0.78 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.79 2.39 3.48 3.38 0.00 0.15 -4.78 105.19 112.59 2dmq n GLY 45 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 0.59 0.70 0.99 1.43 -1.06 -4.82 118.68 116.51 2dmq s LEU 46 Ca 0.00 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2dmq s LEU 46 Cb 0.00 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 43.05 2dmq s LEU 46 CO 0.00 -4.31 1.02 0.42 0.23 0.00 0.00 176.35 173.71 2dmq s THR 47 N -2.49 2.36 0.17 5.49 -4.23 -1.26 -4.37 115.64 111.30 2dmq s THR 47 Ca 0.68 -0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 2dmq s THR 47 Cb -0.23 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 70.63 2dmq s THR 47 CO 0.64 -0.04 1.76 0.50 -0.54 0.00 0.00 174.62 176.93 2dmq h LYS 48 N -0.61 0.77 0.43 3.99 3.64 -1.94 -2.81 116.57 120.05 2dmq h LYS 48 Ca -0.45 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2dmq h LYS 48 Cb 1.31 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2dmq h LYS 48 CO 0.61 0.62 -0.21 -0.09 -2.27 0.00 0.00 179.45 178.12 2dmq h ARG 49 N 0.73 -0.56 -1.08 1.90 2.43 -1.98 -1.36 114.38 114.46 2dmq h ARG 49 Ca 0.19 0.04 0.33 0.00 -0.81 0.00 0.00 59.98 59.72 2dmq h ARG 49 Cb 0.10 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 29.64 2dmq h ARG 49 CO -0.03 -0.32 0.66 0.28 -1.51 0.00 0.00 179.97 179.05 2dmq h VAL 50 N -0.67 0.34 -0.00 0.20 2.07 -1.93 0.72 116.25 116.97 2dmq h VAL 50 Ca -0.06 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2dmq h VAL 50 Cb 0.49 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2dmq h VAL 50 CO 0.10 0.06 -0.01 -0.07 0.02 0.00 0.00 177.57 177.66 2dmq h LEU 51 N 0.31 0.02 -0.21 2.57 3.38 -1.22 -2.37 115.31 117.78 2dmq h LEU 51 Ca 0.71 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2dmq h LEU 51 Cb 1.79 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.47 2dmq h LEU 51 CO -0.48 0.67 -0.31 1.56 0.09 0.00 0.00 178.44 179.98 2dmq h GLN 52 N -0.64 -0.32 0.60 1.13 4.20 0.22 -0.59 115.11 119.71 2dmq h GLN 52 Ca -0.00 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2dmq h GLN 52 Cb 0.67 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2dmq h GLN 52 CO 0.00 -0.21 -0.31 0.28 -0.67 0.00 0.00 178.83 177.91 2dmq h VAL 53 N -0.33 0.00 -0.97 -0.54 2.07 -1.25 -1.05 116.25 114.18 2dmq h VAL 53 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2dmq h VAL 53 Cb 0.53 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 2dmq h VAL 53 CO -0.40 0.00 -0.53 1.87 0.02 0.00 0.00 177.57 178.53 2dmq n TRP 54 N -4.35 -0.33 -0.11 1.57 -0.00 -0.89 -0.09 117.44 113.24 2dmq n TRP 54 Ca -0.10 1.20 -0.05 0.00 -0.00 0.00 0.00 57.50 58.55 2dmq n TRP 54 Cb 0.34 -0.64 0.02 0.00 -0.00 0.00 0.00 31.31 31.03 2dmq n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2dmq h PHE 55 N 0.00 -0.03 -0.98 5.87 -1.00 -1.09 -1.11 116.94 118.60 2dmq h PHE 55 Ca 0.19 0.03 0.10 0.00 2.81 0.00 0.00 57.97 61.10 2dmq h PHE 55 Cb 0.43 0.07 -0.08 0.00 3.61 0.00 0.00 35.95 39.99 2dmq h PHE 55 CO -0.97 -0.08 0.62 1.96 -1.61 0.00 0.00 178.31 178.24 2dmq h GLN 56 N 0.10 1.00 -0.76 1.51 4.20 0.88 -1.25 115.11 120.78 2dmq h GLN 56 Ca 0.18 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2dmq h GLN 56 Cb 0.26 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2dmq h GLN 56 CO -0.31 0.66 0.27 -0.91 -0.67 0.00 0.00 178.83 177.87 2dmq h ASN 57 N 1.03 1.08 0.16 1.46 2.35 0.58 -3.08 115.58 119.15 2dmq h ASN 57 Ca 0.46 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2dmq h ASN 57 Cb 0.37 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2dmq h ASN 57 CO -0.23 0.98 -0.26 0.00 -1.65 0.00 0.00 177.43 176.27 2dmq h ALA 58 N 1.14 -0.47 -0.86 -0.83 0.00 -0.32 -2.44 119.26 115.48 2dmq h ALA 58 Ca 0.25 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.32 2dmq h ALA 58 Cb 0.26 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 2dmq h ALA 58 CO -0.01 -0.81 0.06 0.00 0.00 0.00 0.00 179.25 178.49 2dmq h ARG 59 N -0.49 0.09 -0.75 0.00 3.08 -1.39 0.40 114.38 115.32 2dmq h ARG 59 Ca 0.02 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.19 2dmq h ARG 59 Cb 0.50 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.44 2dmq h ARG 59 CO -0.12 0.06 0.33 0.00 -1.07 0.00 0.00 179.97 179.17 2dmq h ALA 60 N 1.82 1.05 -0.17 0.04 0.00 -1.42 -1.74 119.26 118.84 2dmq h ALA 60 Ca 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2dmq h ALA 60 Cb 0.98 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dmq h ALA 60 CO -0.75 -0.15 0.08 -0.22 0.00 0.00 0.00 179.25 178.21 2dmq h LYS 61 N 0.51 0.25 -0.59 0.00 3.64 -0.11 0.67 116.57 120.93 2dmq h LYS 61 Ca 0.40 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 2dmq h LYS 61 Cb 0.55 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.21 2dmq h LYS 61 CO -0.36 0.30 -0.29 0.35 -2.27 0.00 0.00 179.45 177.18 2dmq h PHE 62 N 0.14 -0.78 -0.05 1.91 3.04 -0.64 -0.00 116.94 120.57 2dmq h PHE 62 Ca 0.06 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 2dmq h PHE 62 Cb 0.13 0.43 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 2dmq h PHE 62 CO -0.02 -0.36 -0.05 0.00 -2.02 0.00 0.00 178.31 175.86 2dmq h ARG 63 N -0.13 0.12 -0.78 1.11 3.08 -1.37 -3.16 114.38 113.24 2dmq h ARG 63 Ca 0.25 -0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.39 2dmq h ARG 63 Cb 0.53 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.44 2dmq h ARG 63 CO -0.67 0.57 -0.24 -0.09 -1.07 0.00 0.00 179.97 178.47 2dmq h ARG 64 N -0.34 -0.03 -0.94 0.04 2.43 -0.07 0.59 114.38 116.07 2dmq h ARG 64 Ca 0.01 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2dmq h ARG 64 Cb 0.55 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 2dmq h ARG 64 CO 0.01 -0.02 0.61 -0.97 -1.51 0.00 0.00 179.97 178.09 2dmq h ASN 65 N -0.03 0.91 -0.29 -3.80 -0.73 -1.06 -1.63 115.58 108.95 2dmq h ASN 65 Ca 0.35 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.48 2dmq h ASN 65 Cb 0.58 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 2dmq h ASN 65 CO -0.82 0.56 -0.05 -0.07 -0.37 0.00 0.00 177.43 176.68 2dmq h LEU 66 N 1.02 0.54 -1.43 0.34 3.38 0.11 -2.97 115.31 116.30 2dmq h LEU 66 Ca 0.42 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2dmq h LEU 66 Cb 0.29 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2dmq h LEU 66 CO -0.18 0.77 0.42 -0.07 0.09 0.00 0.00 178.44 179.47 2dmq h LEU 67 N 0.31 0.64-10.34 1.67 3.38 -0.17 -3.42 115.31 107.37 2dmq h LEU 67 Ca 0.07 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.58 2dmq h LEU 67 Cb 0.52 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.15 2dmq h LEU 67 CO 0.03 0.43 -0.14 0.00 0.09 0.00 0.00 178.44 178.85 2dmq s ARG 68 N -5.65 3.12 0.33 1.13 1.70 -0.68 -5.10 118.95 113.80 2dmq s ARG 68 Ca -0.09 -0.53 -0.03 0.00 -0.47 0.00 0.00 55.73 54.60 2dmq s ARG 68 Cb 0.18 -2.60 -0.04 0.00 -0.57 0.00 0.00 34.95 31.92 2dmq s ARG 68 CO 0.76 -0.18 0.57 -0.65 -1.08 0.00 0.00 175.30 174.73 2dmq s GLN 69 N -4.48 3.57 -0.08 3.89 -0.21 -1.26 -4.86 119.66 116.23 2dmq s GLN 69 Ca 0.47 -0.10 -0.03 0.00 0.02 0.00 0.00 55.36 55.71 2dmq s GLN 69 Cb -0.10 -2.63 0.04 0.00 1.00 0.00 0.00 33.01 31.33 2dmq s GLN 69 CO 0.37 0.15 0.17 -2.00 -2.12 0.00 0.00 175.29 171.85 2dmq s GLU 70 N -3.94 0.08 -0.47 2.91 2.56 -1.26 -5.09 118.70 113.49 2dmq s GLU 70 Ca 0.43 0.48 -0.28 0.00 0.00 0.00 0.00 54.97 55.60 2dmq s GLU 70 Cb -0.10 -0.20 -0.01 0.00 2.00 0.00 0.00 34.13 35.82 2dmq s GLU 70 CO 0.34 -0.23 1.68 -0.80 -0.56 0.00 0.00 175.26 175.69 2dmq s ASN 71 N 1.67 5.82 0.00 -1.70 0.01 -1.26 -4.58 114.94 114.90 2dmq s ASN 71 Ca -0.04 0.75 0.00 0.00 -0.71 0.00 0.00 52.86 52.86 2dmq s ASN 71 Cb -0.12 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.01 2dmq s ASN 71 CO -0.06 -1.86 0.00 0.61 -1.51 0.00 0.00 177.10 174.27 2dmq n GLY 72 N 5.42 -0.25 0.47 0.66 0.00 -1.26 -5.16 105.19 105.07 2dmq n GLY 72 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -1.86 3.65 -0.02 0.00 -1.26 -4.91 105.19 100.79 2dmq n GLY 73 Ca 0.00 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2dmq n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmq s VAL 74 N 0.00 3.77 -0.14 1.61 1.01 -1.26 -5.00 120.40 120.40 2dmq s VAL 74 Ca 0.00 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 2dmq s VAL 74 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2dmq s VAL 74 CO 0.00 -0.12 -0.09 -0.55 0.00 0.00 0.00 175.10 174.34 2dmq s SER 75 N 3.17 4.36 0.00 3.32 0.15 -1.26 -5.09 113.70 118.36 2dmq s SER 75 Ca 0.69 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2dmq s SER 75 Cb -0.29 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2dmq s SER 75 CO 0.26 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.49 2dmq n GLY 76 N 3.45 1.93 3.55 9.45 0.00 -1.26 -5.10 105.19 117.22 2dmq n GLY 76 Ca -0.18 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.64 2.60 0.45 1.61 0.04 -1.26 -4.98 135.00 131.83 2dmq s PRO 77 Ca 0.00 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.37 2dmq s PRO 77 Cb 0.00 -4.54 -0.05 0.00 0.04 0.00 0.00 34.50 29.95 2dmq s PRO 77 CO 0.00 -2.88 0.79 -1.12 0.04 0.00 0.00 177.00 173.83 2dmq s SER 78 N 8.12 6.40 0.52 6.66 0.01 -1.26 -5.08 113.70 129.06 2dmq s SER 78 Ca 0.68 1.06 -0.05 0.00 1.31 0.00 0.00 55.95 58.95 2dmq s SER 78 Cb -0.11 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 2dmq s SER 78 CO 0.16 -0.50 0.82 -0.44 0.41 0.00 0.00 173.24 173.69 2dmq s SER 79 N -3.60 5.99 0.00 2.44 0.01 -1.26 -5.33 113.70 111.94 2dmq s SER 79 Ca 0.50 0.80 0.05 0.00 1.31 0.00 0.00 55.95 58.62 2dmq s SER 79 Cb -0.10 -2.00 0.32 0.00 0.21 0.00 0.00 66.02 64.45 2dmq s SER 79 CO 0.38 -0.77 0.79 0.61 0.41 0.00 0.00 173.24 174.67