#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 1.48 -4.95 1.61 2.88 -1.26 -4.95 113.62 108.43 2dmq n SER 2 Ca 0.00 1.12 -0.23 0.00 -1.33 0.00 0.00 58.87 58.44 2dmq n SER 2 Cb 0.00 -1.11 -0.00 0.00 -0.75 0.00 0.00 64.21 62.35 2dmq n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmq s SER 3 N 1.27 6.10 -0.15 -3.46 1.04 -1.26 -5.10 113.70 112.13 2dmq s SER 3 Ca 0.90 0.28 0.01 0.00 0.48 0.00 0.00 55.95 57.62 2dmq s SER 3 Cb -1.08 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 63.32 2dmq s SER 3 CO 0.55 -0.43 -0.17 -0.83 0.98 0.00 0.00 173.24 173.34 2dmq s GLY 4 N -4.11 1.22 -0.16 7.32 0.00 -1.26 -5.10 107.32 105.23 2dmq s GLY 4 Ca 0.43 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.15 2dmq s GLY 4 CO 0.35 0.36 -0.07 -0.56 0.00 0.00 0.00 173.10 173.18 2dmq s SER 5 N 1.29 2.81 0.28 1.64 0.01 -1.26 -5.12 113.70 113.36 2dmq s SER 5 Ca 0.02 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dmq s SER 5 Cb -0.13 -0.98 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 2dmq s SER 5 CO -0.09 -0.15 0.30 -0.94 0.41 0.00 0.00 173.24 172.76 2dmq s SER 6 N 1.59 0.83 0.00 2.44 1.04 -1.26 -5.05 113.70 113.29 2dmq s SER 6 Ca 0.01 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.95 2dmq s SER 6 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dmq s SER 6 CO -0.08 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2dmq n GLY 7 N -0.47 0.16 3.91 7.32 0.00 -1.26 -5.14 105.19 109.71 2dmq n GLY 7 Ca 0.03 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 3.07 0.06 1.61 1.02 -1.26 -5.11 119.74 119.14 2dmq s LYS 8 Ca 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.97 2dmq s LYS 8 Cb 0.00 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2dmq s LYS 8 CO 0.00 -0.59 0.19 -0.98 -0.92 0.00 0.00 175.35 173.04 2dmq s ARG 9 N -4.95 0.75 -0.05 1.68 3.03 -1.26 -5.17 118.95 112.97 2dmq s ARG 9 Ca 0.53 -0.77 -0.13 0.00 2.03 0.00 0.00 55.73 57.39 2dmq s ARG 9 Cb -0.10 0.31 0.02 0.00 -1.03 0.00 0.00 34.95 34.14 2dmq s ARG 9 CO 0.45 -0.22 0.30 -1.64 -1.13 0.00 0.00 175.30 173.06 2dmq s MET 10 N -3.07 0.54 0.16 3.89 -1.94 -1.26 -5.13 119.30 112.49 2dmq s MET 10 Ca -0.01 0.02 -0.22 0.00 -1.71 0.00 0.00 55.69 53.77 2dmq s MET 10 Cb 0.01 0.25 -0.13 0.00 2.01 0.00 0.00 34.83 36.97 2dmq s MET 10 CO -0.07 -0.13 0.40 2.89 -0.01 0.00 0.00 175.02 178.11 2dmq n ARG 11 N 1.88 0.00 -3.29 2.03 0.00 -1.26 -4.86 116.66 111.16 2dmq n ARG 11 Ca -0.19 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.22 2dmq n ARG 11 Cb 0.57 -0.79 -0.06 0.00 -0.00 0.00 0.00 32.46 32.18 2dmq n ARG 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2dmq s THR 12 N -0.80 5.11 -0.14 8.89 -4.23 -1.26 -5.05 115.64 118.16 2dmq s THR 12 Ca 0.50 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.86 2dmq s THR 12 Cb -0.73 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 68.81 2dmq s THR 12 CO 0.44 -0.78 0.11 -0.94 -0.54 0.00 0.00 174.62 172.91 2dmq s SER 13 N 3.04 6.10 -0.01 3.99 1.04 -1.26 -5.10 113.70 121.50 2dmq s SER 13 Ca 0.07 0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.90 2dmq s SER 13 Cb -0.25 -1.98 -0.02 0.00 0.10 0.00 0.00 66.02 63.87 2dmq s SER 13 CO 0.06 0.33 -0.23 -0.36 0.98 0.00 0.00 173.24 174.03 2dmq s PHE 14 N -0.57 2.01 0.80 5.02 0.40 -1.26 -5.14 117.98 119.24 2dmq s PHE 14 Ca 0.12 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 2dmq s PHE 14 Cb -0.12 -1.29 0.08 0.00 0.51 0.00 0.00 43.02 42.20 2dmq s PHE 14 CO 0.02 -0.02 1.16 0.15 0.70 0.00 0.00 175.22 177.23 2dmq s LYS 15 N -0.59 1.99 0.01 0.44 -0.14 -1.26 -4.97 119.74 115.23 2dmq s LYS 15 Ca 0.09 0.07 0.28 0.00 -1.36 0.00 0.00 55.97 55.05 2dmq s LYS 15 Cb -0.09 -1.98 1.11 0.00 -1.68 0.00 0.00 37.83 35.20 2dmq s LYS 15 CO -0.01 -1.56 1.84 1.58 -0.76 0.00 0.00 175.35 176.45 2dmq n HIS 16 N -3.27 0.05 -0.02 3.18 -0.00 -1.26 -3.27 115.22 110.62 2dmq n HIS 16 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 57.72 57.80 2dmq n HIS 16 Cb 0.61 -0.49 -0.00 0.00 -0.00 0.00 0.00 29.99 30.11 2dmq n HIS 16 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dmq h HIS 17 N 0.00 0.00 -0.60 1.57 3.86 -2.00 -3.28 115.15 114.71 2dmq h HIS 17 Ca 0.00 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 2dmq h HIS 17 Cb 0.51 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.87 2dmq h HIS 17 CO 0.00 0.00 -0.19 -0.56 0.86 0.00 0.00 177.93 178.04 2dmq h GLN 18 N -0.36 -0.04 -0.26 2.45 3.07 -1.86 -0.99 115.11 117.12 2dmq h GLN 18 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.80 2dmq h GLN 18 Cb 0.17 0.01 -0.07 0.00 0.08 0.00 0.00 27.48 27.67 2dmq h GLN 18 CO 0.00 -0.03 -0.17 -0.07 0.09 0.00 0.00 178.83 178.65 2dmq h LEU 19 N -0.04 -0.56 -0.77 0.06 3.38 -1.77 -1.71 115.31 113.88 2dmq h LEU 19 Ca 0.28 0.12 0.23 0.00 0.09 0.00 0.00 57.88 58.60 2dmq h LEU 19 Cb 0.47 0.29 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 2dmq h LEU 19 CO -0.63 -0.21 0.09 -1.14 0.09 0.00 0.00 178.44 176.64 2dmq n ARG 20 N -5.33 -0.06 -0.07 1.13 3.00 -0.38 0.23 116.66 115.18 2dmq n ARG 20 Ca -0.00 1.14 -0.15 0.00 -0.00 0.00 0.00 57.85 58.84 2dmq n ARG 20 Cb 0.25 -1.86 -0.04 0.00 0.00 0.00 0.00 32.46 30.81 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 1.27 0.33 5.15 2.02 -1.31 -2.61 112.91 117.77 2dmq h THR 21 Ca 0.50 -1.77 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 2dmq h THR 21 Cb 1.11 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2dmq h THR 21 CO -0.70 0.58 -0.16 0.24 0.37 0.00 0.00 175.52 175.84 2dmq h MET 22 N 0.65 -0.43 -0.84 6.66 2.86 0.31 -2.83 114.93 121.31 2dmq h MET 22 Ca 0.00 0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.88 2dmq h MET 22 Cb 1.20 0.10 -0.14 0.00 0.06 0.00 0.00 31.60 32.82 2dmq h MET 22 CO 0.13 -0.28 0.11 0.87 1.06 0.00 0.00 176.91 178.79 2dmq h LYS 23 N -0.68 0.13 -0.29 1.72 1.57 -0.30 0.97 116.57 119.69 2dmq h LYS 23 Ca -0.05 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2dmq h LYS 23 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2dmq h LYS 23 CO 0.07 0.09 0.20 0.77 -0.57 0.00 0.00 179.45 180.01 2dmq h SER 24 N 0.14 0.13 0.12 0.86 0.02 -1.52 -1.90 113.55 111.39 2dmq h SER 24 Ca 0.50 -0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.16 2dmq h SER 24 Cb 0.96 -0.03 0.03 0.00 0.14 0.00 0.00 62.40 63.51 2dmq h SER 24 CO -0.70 0.08 -1.22 0.22 -1.14 0.00 0.00 176.83 174.07 2dmq h TYR 25 N 0.14 0.99 -1.45 3.45 5.03 0.12 -3.25 116.97 122.01 2dmq h TYR 25 Ca 0.13 -0.63 0.42 0.00 2.58 0.00 0.00 58.73 61.23 2dmq h TYR 25 Cb 0.34 -0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 2dmq h TYR 25 CO -0.00 1.47 1.06 0.35 -1.32 0.00 0.00 178.16 179.72 2dmq h PHE 26 N 0.24 0.00 0.07 -3.82 3.57 -0.27 0.99 116.94 117.72 2dmq h PHE 26 Ca -0.19 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.04 2dmq h PHE 26 Cb 1.90 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.66 2dmq h PHE 26 CO 0.12 0.00 -1.13 0.00 -2.23 0.00 0.00 178.31 175.07 2dmq h ALA 27 N 1.25 0.15 0.06 2.41 0.00 -1.58 -3.35 119.26 118.19 2dmq h ALA 27 Ca 0.69 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dmq h ALA 27 Cb 2.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.63 2dmq h ALA 27 CO -0.01 0.79 -0.03 0.82 0.00 0.00 0.00 179.25 180.82 2dmq h ILE 28 N 0.23 1.27 -3.47 0.00 2.04 0.81 -3.46 117.51 114.93 2dmq h ILE 28 Ca -0.14 -1.29 -0.21 0.00 1.00 0.00 0.00 64.86 64.23 2dmq h ILE 28 Cb 1.80 2.09 -0.27 0.00 -0.74 0.00 0.00 36.82 39.69 2dmq h ILE 28 CO 0.20 0.31 -0.60 0.21 0.00 0.00 0.00 178.15 178.27 2dmq s ASN 29 N -5.68 -0.10 -0.21 1.72 2.47 0.08 -5.06 114.94 108.16 2dmq s ASN 29 Ca -0.15 0.21 -0.21 0.00 0.42 0.00 0.00 52.86 53.12 2dmq s ASN 29 Cb 0.01 0.20 -0.19 0.00 -1.45 0.00 0.00 41.25 39.82 2dmq s ASN 29 CO 0.62 -0.05 0.20 0.45 -3.72 0.00 0.00 177.10 174.60 2dmq h HIS 30 N 6.11 0.00 -3.41 0.43 3.86 -1.83 -3.35 115.15 116.95 2dmq h HIS 30 Ca -0.27 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.21 2dmq h HIS 30 Cb 1.20 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.34 2dmq h HIS 30 CO 0.41 1.49 0.06 -0.80 0.86 0.00 0.00 177.93 179.95 2dmq s ASN 31 N -6.86 6.38 0.31 2.45 0.01 -1.26 -4.88 114.94 111.08 2dmq s ASN 31 Ca -0.29 -3.64 -0.29 0.00 -0.71 0.00 0.00 52.86 47.93 2dmq s ASN 31 Cb 0.06 -2.00 -0.10 0.00 0.41 0.00 0.00 41.25 39.62 2dmq s ASN 31 CO 0.59 -0.23 1.23 -2.16 -1.51 0.00 0.00 177.10 175.02 2dmq s PRO 32 N -1.26 4.46 0.99 -0.60 0.04 -1.26 -5.03 135.00 132.35 2dmq s PRO 32 Ca 0.28 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.25 2dmq s PRO 32 Cb -0.08 -3.12 0.18 0.00 0.04 0.00 0.00 34.50 31.52 2dmq s PRO 32 CO -0.11 -0.04 1.11 0.16 0.04 0.00 0.00 177.00 178.16 2dmq s ASP 33 N -0.60 2.74 0.20 6.66 -4.77 -1.26 -4.64 116.67 115.00 2dmq s ASP 33 Ca 0.47 1.09 -0.16 0.00 -3.30 0.00 0.00 52.55 50.65 2dmq s ASP 33 Cb -0.37 -1.72 0.20 0.00 -1.09 0.00 0.00 42.92 39.94 2dmq s ASP 33 CO 0.48 -3.05 1.60 0.00 0.70 0.00 0.00 175.17 174.91 2dmq h ALA 34 N -1.84 0.22 -0.22 2.11 0.00 -1.99 0.14 119.26 117.69 2dmq h ALA 34 Ca -0.54 0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2dmq h ALA 34 Cb 1.33 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 2dmq h ALA 34 CO 0.58 -0.54 -0.41 -0.22 0.00 0.00 0.00 179.25 178.67 2dmq h LYS 35 N -0.08 -0.41 -0.71 0.00 1.63 -1.99 0.12 116.57 115.13 2dmq h LYS 35 Ca 0.28 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.19 2dmq h LYS 35 Cb 0.52 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 2dmq h LYS 35 CO -0.68 -0.27 0.38 -0.44 -3.45 0.00 0.00 179.45 174.98 2dmq h ASP 36 N -0.43 0.53 0.45 4.20 3.32 -1.60 -0.07 116.42 122.83 2dmq h ASP 36 Ca 0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2dmq h ASP 36 Cb 0.60 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2dmq h ASP 36 CO -0.45 0.32 -0.43 -0.07 -1.72 0.00 0.00 179.24 176.89 2dmq h LEU 37 N 0.67 -1.17 -1.64 1.55 3.38 0.27 -1.28 115.31 117.09 2dmq h LEU 37 Ca 0.33 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.45 2dmq h LEU 37 Cb 0.28 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2dmq h LEU 37 CO -0.23 -0.59 0.32 0.07 0.09 0.00 0.00 178.44 178.10 2dmq h LYS 38 N -0.89 0.45 0.00 1.13 2.10 -0.74 -0.04 116.57 118.58 2dmq h LYS 38 Ca -0.04 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.53 2dmq h LYS 38 Cb 0.78 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 2dmq h LYS 38 CO -0.05 0.30 -0.22 1.96 -2.00 0.00 0.00 179.45 179.43 2dmq h GLN 39 N 0.46 0.00 0.20 0.07 4.20 -0.31 -2.88 115.11 116.85 2dmq h GLN 39 Ca 0.20 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.57 2dmq h GLN 39 Cb 0.22 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.02 2dmq h GLN 39 CO -0.05 0.22 -1.61 -0.07 -0.67 0.00 0.00 178.83 176.65 2dmq h LEU 40 N 0.00 0.67 -1.96 1.46 3.38 0.09 -3.16 115.31 115.79 2dmq h LEU 40 Ca -0.00 -0.86 0.35 0.00 0.09 0.00 0.00 57.88 57.46 2dmq h LEU 40 Cb 0.43 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2dmq h LEU 40 CO 0.03 1.70 0.88 0.00 0.09 0.00 0.00 178.44 181.14 2dmq h ALA 41 N 0.19 3.12 0.00 1.53 0.00 -1.06 0.14 119.26 123.18 2dmq h ALA 41 Ca -0.29 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2dmq h ALA 41 Cb 2.11 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 2dmq h ALA 41 CO 0.21 -1.48 -0.72 1.96 0.00 0.00 0.00 179.25 179.22 2dmq h GLN 42 N 0.02 0.00 -0.86 0.00 4.20 -1.64 0.28 115.11 117.10 2dmq h GLN 42 Ca 0.59 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.47 2dmq h GLN 42 Cb 2.32 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 30.00 2dmq h GLN 42 CO -0.02 0.75 0.43 0.87 -0.67 0.00 0.00 178.83 180.19 2dmq h LYS 43 N -1.00 0.54 0.06 1.46 1.57 -1.22 -2.91 116.57 115.07 2dmq h LYS 43 Ca -0.18 -0.03 -0.37 0.00 -1.87 0.00 0.00 60.65 58.20 2dmq h LYS 43 Cb 0.99 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 2dmq h LYS 43 CO -0.11 0.36 -2.14 0.25 -0.57 0.00 0.00 179.45 177.24 2dmq n THR 44 N -4.92 1.64 0.00 -0.16 -2.24 0.38 -4.89 114.28 104.09 2dmq n THR 44 Ca 0.19 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2dmq n THR 44 Cb 0.50 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 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 1.98 2.50 2.03 3.38 0.00 0.95 -4.77 105.19 111.26 2dmq n GLY 45 Ca -0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2dmq n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmq n LEU 46 N 0.00 0.00 -4.73 0.99 4.77 -1.08 -4.82 117.00 112.12 2dmq n LEU 46 Ca 0.00 -0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 55.14 2dmq n LEU 46 Cb 0.00 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 2dmq n LEU 46 CO 0.00 -2.08 -0.21 0.28 -1.33 0.00 0.00 177.39 174.04 2dmq s THR 47 N -1.90 3.32 0.23 -5.08 -1.32 -1.26 -4.44 115.64 105.19 2dmq s THR 47 Ca 0.42 -1.68 -0.12 0.00 -1.21 0.00 0.00 61.69 59.10 2dmq s THR 47 Cb -0.06 -3.01 0.30 0.00 -1.51 0.00 0.00 72.50 68.22 2dmq s THR 47 CO 0.34 -0.24 1.60 0.50 -2.21 0.00 0.00 174.62 174.60 2dmq h LYS 48 N 1.59 -0.02 0.06 7.08 1.63 -1.95 -1.24 116.57 123.72 2dmq h LYS 48 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2dmq h LYS 48 Cb 1.25 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 2dmq h LYS 48 CO 0.62 -0.01 -0.21 -0.09 -3.45 0.00 0.00 179.45 176.30 2dmq h ARG 49 N -0.02 -0.30 -0.78 1.90 9.65 -1.99 0.80 114.38 123.65 2dmq h ARG 49 Ca 0.36 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.39 2dmq h ARG 49 Cb 0.57 0.07 -0.14 0.00 -1.39 0.00 0.00 29.97 29.08 2dmq h ARG 49 CO -0.80 -0.20 -0.35 0.28 2.80 0.00 0.00 179.97 181.70 2dmq h VAL 50 N -0.31 0.10 -0.14 0.20 2.07 -1.77 0.35 116.25 116.75 2dmq h VAL 50 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2dmq h VAL 50 Cb 0.31 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 2dmq h VAL 50 CO -0.11 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.21 2dmq h LEU 51 N -0.08 -0.62 0.03 2.57 3.38 -0.92 -0.68 115.31 118.99 2dmq h LEU 51 Ca 0.29 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2dmq h LEU 51 Cb 0.58 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2dmq h LEU 51 CO -0.83 -0.25 -0.09 1.56 0.09 0.00 0.00 178.44 178.92 2dmq h GLN 52 N -0.25 -0.13 -0.59 1.13 1.08 0.12 -1.23 115.11 115.24 2dmq h GLN 52 Ca 0.10 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2dmq h GLN 52 Cb 0.40 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.77 2dmq h GLN 52 CO -0.28 -0.09 -0.53 0.28 -0.95 0.00 0.00 178.83 177.26 2dmq h VAL 53 N -0.14 0.00 -0.21 -0.54 2.07 -1.12 -0.36 116.25 115.95 2dmq h VAL 53 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2dmq h VAL 53 Cb 0.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 2dmq h VAL 53 CO -0.04 0.00 -0.16 -0.25 0.02 0.00 0.00 177.57 177.14 2dmq h TRP 54 N -0.23 -0.50 -0.73 1.57 7.01 -1.01 0.11 115.95 122.17 2dmq h TRP 54 Ca 0.10 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.27 2dmq h TRP 54 Cb 0.49 0.25 -0.14 0.00 -2.10 0.00 0.00 29.16 27.66 2dmq h TRP 54 CO -0.83 -0.11 -0.21 0.74 -2.79 0.00 0.00 178.44 175.24 2dmq h PHE 55 N -0.04 -0.47 -1.00 2.65 0.04 -0.71 0.46 116.94 117.87 2dmq h PHE 55 Ca 0.03 0.07 0.14 0.00 2.80 0.00 0.00 57.97 61.02 2dmq h PHE 55 Cb 0.13 0.32 -0.09 0.00 2.20 0.00 0.00 35.95 38.51 2dmq h PHE 55 CO -0.85 -0.33 0.63 1.96 -0.60 0.00 0.00 178.31 179.12 2dmq h GLN 56 N -0.02 0.89 0.00 1.51 4.20 0.66 0.25 115.11 122.59 2dmq h GLN 56 Ca 0.34 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2dmq h GLN 56 Cb 0.55 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2dmq h GLN 56 CO -0.76 0.59 -0.06 -0.91 -0.67 0.00 0.00 178.83 177.01 2dmq h ASN 57 N 0.92 0.00 0.33 1.46 2.35 0.22 -3.30 115.58 117.57 2dmq h ASN 57 Ca 0.52 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.26 2dmq h ASN 57 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2dmq h ASN 57 CO -0.30 0.06 -0.16 0.00 -1.65 0.00 0.00 177.43 175.38 2dmq h ALA 58 N 1.94 -0.45 -0.97 -0.83 0.00 0.20 -0.73 119.26 118.42 2dmq h ALA 58 Ca -0.00 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.98 2dmq h ALA 58 Cb 0.86 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2dmq h ALA 58 CO 0.01 -0.56 0.66 0.00 0.00 0.00 0.00 179.25 179.36 2dmq h ARG 59 N -0.83 0.20 0.16 0.00 3.08 -1.53 0.24 114.38 115.70 2dmq h ARG 59 Ca -0.05 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.70 2dmq h ARG 59 Cb 0.52 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.54 2dmq h ARG 59 CO 0.08 0.14 -1.29 0.00 -1.07 0.00 0.00 179.97 177.82 2dmq h ALA 60 N 1.57 0.03 0.41 0.04 0.00 -1.62 -3.27 119.26 116.42 2dmq h ALA 60 Ca 0.50 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2dmq h ALA 60 Cb 1.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2dmq h ALA 60 CO -0.12 0.87 -0.20 -0.22 0.00 0.00 0.00 179.25 179.58 2dmq h LYS 61 N 0.12 -0.53 -0.90 0.00 3.64 0.90 -3.29 116.57 116.51 2dmq h LYS 61 Ca -0.17 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2dmq h LYS 61 Cb 2.00 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 33.82 2dmq h LYS 61 CO 0.22 -0.35 -0.46 0.34 -2.27 0.00 0.00 179.45 176.93 2dmq n PHE 62 N -4.36 -0.24 -0.32 1.91 7.35 0.26 0.13 117.46 122.18 2dmq n PHE 62 Ca -0.07 1.12 0.31 0.00 -0.76 0.00 0.00 57.45 58.05 2dmq n PHE 62 Cb 0.22 -0.67 0.58 0.00 0.35 0.00 0.00 39.48 39.96 2dmq n PHE 62 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2dmq n ARG 63 N -5.20 -0.06 0.01 -4.13 1.74 -1.23 0.22 116.66 108.01 2dmq n ARG 63 Ca 0.05 1.38 -0.10 0.00 -0.77 0.00 0.00 57.85 58.41 2dmq n ARG 63 Cb 0.28 -2.47 0.04 0.00 -1.02 0.00 0.00 32.46 29.29 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 0.53 -0.02 5.56 2.43 1.00 -2.92 114.38 120.96 2dmq h ARG 64 Ca 0.84 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 2dmq h ARG 64 Cb 2.21 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.81 2dmq h ARG 64 CO -0.78 0.97 0.11 -0.97 -1.51 0.00 0.00 179.97 177.80 2dmq h ASN 65 N 0.40 0.00 -0.03 -3.80 -1.24 0.32 -1.63 115.58 109.60 2dmq h ASN 65 Ca -0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 2dmq h ASN 65 Cb 1.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2dmq h ASN 65 CO 0.11 0.00 -0.24 -0.07 -1.29 0.00 0.00 177.43 175.94 2dmq h LEU 66 N 0.00 0.27 -1.26 0.34 -0.00 -1.26 -3.26 115.31 110.14 2dmq h LEU 66 Ca 0.01 -0.69 -0.03 0.00 -0.00 0.00 0.00 57.88 57.17 2dmq h LEU 66 Cb 0.23 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 2dmq h LEU 66 CO -0.00 0.92 0.20 -0.07 -0.00 0.00 0.00 178.44 179.49 2dmq h LEU 67 N -0.36 0.65-10.57 1.67 3.38 -1.40 -3.43 115.31 105.24 2dmq h LEU 67 Ca -0.02 -0.07 -0.45 0.00 0.09 0.00 0.00 57.88 57.43 2dmq h LEU 67 Cb 0.93 -0.17 0.15 0.00 0.09 0.00 0.00 40.66 41.67 2dmq h LEU 67 CO 0.05 0.58 0.30 -0.13 0.09 0.00 0.00 178.44 179.33 2dmq s ARG 68 N -5.34 0.44 -0.31 1.13 1.81 -0.98 -4.88 118.95 110.83 2dmq s ARG 68 Ca -0.09 -0.00 -0.33 0.00 -1.72 0.00 0.00 55.73 53.59 2dmq s ARG 68 Cb 0.16 -1.78 -0.09 0.00 -0.45 0.00 0.00 34.95 32.78 2dmq s ARG 68 CO 0.77 -2.61 2.20 0.94 -0.68 0.00 0.00 175.30 175.92 2dmq n GLN 69 N -4.00 1.34 -1.74 3.54 7.27 -1.26 -4.84 117.38 117.69 2dmq n GLN 69 Ca 0.11 0.36 -0.42 0.00 0.07 0.00 0.00 57.00 57.12 2dmq n GLN 69 Cb 0.59 -2.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 2dmq n GLN 69 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2dmq s GLU 70 N 6.29 3.04 -0.27 3.69 2.02 -1.26 -4.95 118.70 127.26 2dmq s GLU 70 Ca 1.07 1.71 -0.09 0.00 0.02 0.00 0.00 54.97 57.68 2dmq s GLU 70 Cb -0.70 -4.35 -0.03 0.00 0.10 0.00 0.00 34.13 29.16 2dmq s GLU 70 CO 0.45 -2.20 0.13 1.21 0.02 0.00 0.00 175.26 174.86 2dmq s ASN 71 N 8.08 5.53 0.00 -0.19 3.84 -1.26 -4.98 114.94 125.96 2dmq s ASN 71 Ca 0.92 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.81 2dmq s ASN 71 Cb -0.27 -2.01 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 2dmq s ASN 71 CO 0.33 -0.06 0.00 0.61 -2.79 0.00 0.00 177.10 175.18 2dmq n GLY 72 N 4.99 0.05 2.93 1.21 0.00 -1.26 -4.92 105.19 108.18 2dmq n GLY 72 Ca -0.15 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.30 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 0.00 2.79 -0.15 -0.02 0.00 -1.26 -5.04 107.32 103.64 2dmq s GLY 73 Ca 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 44.72 40.99 2dmq s GLY 73 CO 0.00 1.06 0.35 0.54 0.00 0.00 0.00 173.10 175.05 2dmq s VAL 74 N -1.07 -0.24 -0.29 1.40 0.11 -1.26 -5.14 120.40 113.90 2dmq s VAL 74 Ca 0.22 0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 2dmq s VAL 74 Cb -0.12 -0.54 0.18 0.00 -1.53 0.00 0.00 36.38 34.37 2dmq s VAL 74 CO -0.11 0.07 1.12 -0.55 -3.33 0.00 0.00 175.10 172.29 2dmq s SER 75 N 1.82 -0.29 0.00 3.54 0.15 -1.26 -5.08 113.70 112.58 2dmq s SER 75 Ca -0.06 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2dmq s SER 75 Cb -0.10 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 2dmq s SER 75 CO -0.11 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2dmq n GLY 76 N 3.37 -0.86 3.70 9.45 0.00 -1.26 -5.17 105.19 114.43 2dmq n GLY 76 Ca -0.18 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.91 0.05 1.61 0.04 -1.26 -5.05 135.00 131.30 2dmq s PRO 77 Ca 0.00 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 2dmq s PRO 77 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2dmq s PRO 77 CO 0.00 -2.44 0.22 0.45 0.04 0.00 0.00 177.00 175.27 2dmq s SER 78 N -3.44 6.38 -0.30 6.66 0.15 -1.26 -5.10 113.70 116.79 2dmq s SER 78 Ca 0.64 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.52 2dmq s SER 78 Cb -0.18 -1.99 0.15 0.00 -1.71 0.00 0.00 66.02 62.29 2dmq s SER 78 CO 0.57 0.18 0.77 -0.44 1.20 0.00 0.00 173.24 175.52 2dmq s SER 79 N -2.34 -0.96 0.00 5.45 0.01 -1.26 -5.36 113.70 109.24 2dmq s SER 79 Ca 0.34 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2dmq s SER 79 Cb -0.13 2.05 0.00 0.00 0.21 0.00 0.00 66.02 68.15 2dmq s SER 79 CO 0.25 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.33