#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmq h SER 2 N 0.00 0.06 -2.96 1.61 4.64 -2.13 -3.46 113.55 111.31 2dmq h SER 2 Ca 0.00 -0.64 -0.52 0.00 -0.47 0.00 0.00 61.79 60.16 2dmq h SER 2 Cb 0.00 -0.02 0.06 0.00 -0.31 0.00 0.00 62.40 62.13 2dmq h SER 2 CO 0.00 1.46 0.92 -0.55 -0.87 0.00 0.00 176.83 177.80 2dmq s SER 3 N -6.80 6.45 0.00 4.97 0.15 -1.26 -4.93 113.70 112.28 2dmq s SER 3 Ca -0.26 2.82 0.00 0.00 0.70 0.00 0.00 55.95 59.21 2dmq s SER 3 Cb 0.05 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2dmq s SER 3 CO 0.63 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2dmq n GLY 4 N 3.23 0.72 3.87 9.45 0.00 -1.26 -5.11 105.19 116.10 2dmq n GLY 4 Ca 0.12 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2dmq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmq s SER 5 N 1.00 6.50 0.09 1.61 0.15 -1.26 -5.09 113.70 116.70 2dmq s SER 5 Ca 0.00 1.29 0.03 0.00 0.70 0.00 0.00 55.95 57.97 2dmq s SER 5 Cb 0.00 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2dmq s SER 5 CO 0.00 -0.52 -0.10 -0.94 1.20 0.00 0.00 173.24 172.88 2dmq s SER 6 N -3.31 1.37 0.19 5.45 1.04 -1.26 -5.16 113.70 112.03 2dmq s SER 6 Ca 0.54 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2dmq s SER 6 Cb -0.10 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2dmq s SER 6 CO 0.35 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dmq n GLY 7 N 0.60 -1.74 3.50 7.32 0.00 -1.26 -5.09 105.19 108.52 2dmq n GLY 7 Ca -0.16 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 2dmq n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmq s LYS 8 N -0.57 1.75 -0.01 1.61 -2.85 -1.26 -5.10 119.74 113.31 2dmq s LYS 8 Ca 0.00 -1.81 -0.30 0.00 -1.00 0.00 0.00 55.97 52.86 2dmq s LYS 8 Cb 0.00 -1.77 -0.05 0.00 -2.06 0.00 0.00 37.83 33.95 2dmq s LYS 8 CO 0.00 0.27 1.43 1.03 0.10 0.00 0.00 175.35 178.18 2dmq s ARG 9 N -3.55 4.27 -0.04 1.78 1.81 -1.26 -5.01 118.95 116.95 2dmq s ARG 9 Ca 0.31 1.99 -0.09 0.00 -1.72 0.00 0.00 55.73 56.22 2dmq s ARG 9 Cb -0.03 -3.62 0.02 0.00 -0.45 0.00 0.00 34.95 30.87 2dmq s ARG 9 CO 0.16 -0.62 0.22 -1.64 -0.68 0.00 0.00 175.30 172.74 2dmq s MET 10 N 2.62 0.43 -0.56 3.54 -1.94 -1.26 -5.11 119.30 117.02 2dmq s MET 10 Ca 0.65 -0.01 0.04 0.00 -1.71 0.00 0.00 55.69 54.65 2dmq s MET 10 Cb -0.32 0.19 0.15 0.00 2.01 0.00 0.00 34.83 36.87 2dmq s MET 10 CO 0.26 -0.09 0.36 1.03 -0.01 0.00 0.00 175.02 176.57 2dmq s ARG 11 N -0.67 1.84 0.20 2.03 1.81 -1.26 -5.09 118.95 117.81 2dmq s ARG 11 Ca -0.08 -2.67 0.10 0.00 -1.72 0.00 0.00 55.73 51.36 2dmq s ARG 11 Cb -0.04 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 31.57 2dmq s ARG 11 CO 0.02 -1.23 -0.20 -0.08 -0.68 0.00 0.00 175.30 173.13 2dmq s THR 12 N -0.53 2.08 0.51 0.02 -1.32 -1.26 -5.15 115.64 109.99 2dmq s THR 12 Ca 0.22 -2.08 0.01 0.00 -1.21 0.00 0.00 61.69 58.63 2dmq s THR 12 Cb -0.13 -2.03 0.02 0.00 -1.51 0.00 0.00 72.50 68.85 2dmq s THR 12 CO -0.09 -0.31 0.73 -0.44 -2.21 0.00 0.00 174.62 172.30 2dmq s SER 13 N -2.91 5.53 0.32 8.08 0.01 -1.26 -5.12 113.70 118.35 2dmq s SER 13 Ca 0.21 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.64 2dmq s SER 13 Cb -0.06 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 2dmq s SER 13 CO 0.09 -0.95 0.12 -0.36 0.41 0.00 0.00 173.24 172.55 2dmq s PHE 14 N -2.68 1.71 0.52 2.43 0.08 -1.26 -5.17 117.98 113.60 2dmq s PHE 14 Ca 0.53 -1.22 0.04 0.00 0.12 0.00 0.00 56.93 56.40 2dmq s PHE 14 Cb -0.10 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 2dmq s PHE 14 CO 0.38 -0.32 0.72 0.15 -0.10 0.00 0.00 175.22 176.05 2dmq s LYS 15 N -3.86 2.59 0.01 0.44 -0.14 -1.26 -5.01 119.74 112.51 2dmq s LYS 15 Ca 0.34 -0.97 0.25 0.00 -1.36 0.00 0.00 55.97 54.22 2dmq s LYS 15 Cb 0.06 -2.57 0.42 0.00 -1.68 0.00 0.00 37.83 34.06 2dmq s LYS 15 CO 0.16 -0.61 1.35 0.72 -0.76 0.00 0.00 175.35 176.21 2dmq n HIS 16 N -2.20 0.03 -0.06 3.18 8.25 -1.26 -3.17 115.22 119.99 2dmq n HIS 16 Ca 0.09 0.01 -0.19 0.00 -0.26 0.00 0.00 57.72 57.36 2dmq n HIS 16 Cb 0.60 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 31.32 2dmq n HIS 16 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2dmq h HIS 17 N 0.00 0.14 -0.12 4.41 2.07 -1.99 -3.14 115.15 116.52 2dmq h HIS 17 Ca 0.00 -0.10 -0.08 0.00 -2.85 0.00 0.00 60.37 57.34 2dmq h HIS 17 Cb 0.52 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2dmq h HIS 17 CO 0.00 1.37 -0.23 -0.56 -3.07 0.00 0.00 177.93 175.43 2dmq h GLN 18 N -0.78 0.37 -0.74 5.12 3.07 -1.88 -3.18 115.11 117.09 2dmq h GLN 18 Ca -0.23 -0.24 0.03 0.00 0.09 0.00 0.00 58.65 58.30 2dmq h GLN 18 Cb 1.36 0.03 -0.04 0.00 0.08 0.00 0.00 27.48 28.91 2dmq h GLN 18 CO -0.06 0.83 0.49 -0.07 0.09 0.00 0.00 178.83 180.11 2dmq h LEU 19 N -0.05 0.80 -1.53 0.06 3.38 -1.74 -1.57 115.31 114.66 2dmq h LEU 19 Ca 0.00 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2dmq h LEU 19 Cb 0.82 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2dmq h LEU 19 CO 0.05 0.56 0.58 -0.09 0.09 0.00 0.00 178.44 179.63 2dmq h ARG 20 N 0.93 0.40 0.10 1.13 9.65 -1.52 0.68 114.38 125.74 2dmq h ARG 20 Ca 0.29 -0.02 -0.27 0.00 -1.10 0.00 0.00 59.98 58.87 2dmq h ARG 20 Cb 0.00 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2dmq h ARG 20 CO -0.08 0.26 -1.18 1.15 2.80 0.00 0.00 179.97 182.93 2dmq h THR 21 N 0.41 1.39 0.11 0.20 2.02 -1.37 -3.12 112.91 112.55 2dmq h THR 21 Ca 0.44 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.94 2dmq h THR 21 Cb 1.09 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2dmq h THR 21 CO -0.16 0.80 -0.05 0.24 0.37 0.00 0.00 175.52 176.71 2dmq h MET 22 N 0.19 -0.15 -0.95 6.66 2.86 -0.78 -3.05 114.93 119.71 2dmq h MET 22 Ca -0.15 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.74 2dmq h MET 22 Cb 1.86 0.03 -0.18 0.00 0.06 0.00 0.00 31.60 33.38 2dmq h MET 22 CO 0.21 -0.10 -0.06 0.87 1.06 0.00 0.00 176.91 178.89 2dmq h LYS 23 N -0.64 0.02 -0.56 1.72 1.57 0.09 1.37 116.57 120.13 2dmq h LYS 23 Ca -0.02 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2dmq h LYS 23 Cb 0.12 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2dmq h LYS 23 CO 0.03 0.01 0.37 1.03 -0.57 0.00 0.00 179.45 180.32 2dmq h SER 24 N 0.02 0.64 -0.28 0.86 0.87 -1.67 -2.41 113.55 111.57 2dmq h SER 24 Ca 0.53 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.96 2dmq h SER 24 Cb 1.00 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2dmq h SER 24 CO -0.91 0.46 -0.29 0.22 -0.53 0.00 0.00 176.83 175.78 2dmq h TYR 25 N 0.75 0.83 -1.55 2.24 5.03 0.19 -3.01 116.97 121.45 2dmq h TYR 25 Ca 0.21 -0.25 0.45 0.00 2.58 0.00 0.00 58.73 61.72 2dmq h TYR 25 Cb -0.07 -0.17 -0.06 0.00 1.55 0.00 0.00 36.73 37.97 2dmq h TYR 25 CO -0.00 0.99 1.14 0.35 -1.32 0.00 0.00 178.16 179.32 2dmq h PHE 26 N 0.43 0.00 0.06 -3.82 3.57 -0.55 1.64 116.94 118.27 2dmq h PHE 26 Ca 0.04 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.30 2dmq h PHE 26 Cb 0.86 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2dmq h PHE 26 CO 0.07 0.00 -1.16 0.00 -2.23 0.00 0.00 178.31 174.99 2dmq h ALA 27 N 1.18 0.26 0.01 2.41 0.00 -1.57 -3.36 119.26 118.18 2dmq h ALA 27 Ca 0.74 -0.94 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dmq h ALA 27 Cb 3.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.76 2dmq h ALA 27 CO -0.01 1.14 -0.01 0.82 0.00 0.00 0.00 179.25 181.20 2dmq h ILE 28 N 0.03 1.56 -3.12 0.00 2.04 0.22 -3.46 117.51 114.79 2dmq h ILE 28 Ca -0.09 -1.89 -0.20 0.00 1.00 0.00 0.00 64.86 63.68 2dmq h ILE 28 Cb 1.88 2.82 -0.30 0.00 -0.74 0.00 0.00 36.82 40.48 2dmq h ILE 28 CO 0.16 0.48 -0.51 0.21 0.00 0.00 0.00 178.15 178.49 2dmq s ASN 29 N -6.00 -0.22 -0.10 1.72 2.47 0.36 -5.05 114.94 108.11 2dmq s ASN 29 Ca -0.17 0.45 -0.18 0.00 0.42 0.00 0.00 52.86 53.38 2dmq s ASN 29 Cb -0.01 0.35 -0.27 0.00 -1.45 0.00 0.00 41.25 39.87 2dmq s ASN 29 CO 0.65 -0.14 0.60 0.45 -3.72 0.00 0.00 177.10 174.93 2dmq h HIS 30 N 6.95 0.41 -3.40 0.43 3.86 -1.82 -3.37 115.15 118.21 2dmq h HIS 30 Ca -0.38 -0.30 -0.73 0.00 -1.16 0.00 0.00 60.37 57.79 2dmq h HIS 30 Cb 1.16 -0.02 -0.33 0.00 1.06 0.00 0.00 27.41 29.28 2dmq h HIS 30 CO 0.39 1.49 0.04 -0.80 0.86 0.00 0.00 177.93 179.91 2dmq s ASN 31 N -6.98 6.34 0.35 2.45 -0.87 -1.26 -4.97 114.94 110.00 2dmq s ASN 31 Ca -0.19 -3.64 -0.28 0.00 -1.57 0.00 0.00 52.86 47.18 2dmq s ASN 31 Cb 0.04 -1.99 -0.09 0.00 -0.02 0.00 0.00 41.25 39.18 2dmq s ASN 31 CO 0.76 -0.22 1.21 -2.16 -2.57 0.00 0.00 177.10 174.12 2dmq s PRO 32 N -1.26 4.30 0.52 -0.60 0.04 -1.26 -5.02 135.00 131.71 2dmq s PRO 32 Ca 0.28 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 63.16 2dmq s PRO 32 Cb -0.08 -2.95 -0.07 0.00 0.04 0.00 0.00 34.50 31.44 2dmq s PRO 32 CO -0.11 -0.16 0.97 -0.51 0.04 0.00 0.00 177.00 177.23 2dmq s ASP 33 N -0.81 6.57 0.19 6.66 1.11 -1.26 -4.76 116.67 124.37 2dmq s ASP 33 Ca 0.51 1.51 -0.16 0.00 0.18 0.00 0.00 52.55 54.59 2dmq s ASP 33 Cb -0.35 -2.49 0.18 0.00 1.07 0.00 0.00 42.92 41.34 2dmq s ASP 33 CO 0.45 -0.60 1.31 0.00 1.18 0.00 0.00 175.17 177.51 2dmq n ALA 34 N -1.69 -0.14 -0.28 5.23 0.00 -1.26 0.10 120.51 122.47 2dmq n ALA 34 Ca 0.06 0.83 0.08 0.00 0.00 0.00 0.00 53.44 54.41 2dmq n ALA 34 Cb 0.54 -0.36 0.20 0.00 0.00 0.00 0.00 19.45 19.84 2dmq n ALA 34 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dmq h LYS 35 N 0.00 0.10 -0.26 0.00 3.11 -2.00 0.14 116.57 117.66 2dmq h LYS 35 Ca 0.28 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.07 2dmq h LYS 35 Cb 0.49 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 2dmq h LYS 35 CO -0.84 0.07 -0.00 -0.44 -2.81 0.00 0.00 179.45 175.43 2dmq h ASP 36 N 0.10 0.45 -0.02 4.20 5.19 0.36 -2.61 116.42 124.10 2dmq h ASP 36 Ca 0.47 -0.31 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 2dmq h ASP 36 Cb 0.88 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.21 2dmq h ASP 36 CO -0.72 0.66 -0.34 -0.07 -3.12 0.00 0.00 179.24 175.65 2dmq h LEU 37 N 0.24 -1.04 -1.26 1.55 3.38 0.48 -0.54 115.31 118.12 2dmq h LEU 37 Ca 0.07 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2dmq h LEU 37 Cb 0.43 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2dmq h LEU 37 CO 0.01 -0.40 0.56 0.07 0.09 0.00 0.00 178.44 178.78 2dmq h LYS 38 N -0.48 0.75 -0.39 1.13 2.10 -1.09 -0.68 116.57 117.91 2dmq h LYS 38 Ca 0.06 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2dmq h LYS 38 Cb 0.58 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 2dmq h LYS 38 CO -0.29 0.50 0.17 1.96 -2.00 0.00 0.00 179.45 179.79 2dmq h GLN 39 N 0.78 0.58 -0.32 0.07 4.20 -0.81 -3.04 115.11 116.57 2dmq h GLN 39 Ca 0.42 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 2dmq h GLN 39 Cb 0.55 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2dmq h GLN 39 CO -0.18 0.53 0.06 -0.07 -0.67 0.00 0.00 178.83 178.50 2dmq h LEU 40 N 0.49 0.50 -1.32 1.46 3.38 -0.09 -2.68 115.31 117.06 2dmq h LEU 40 Ca 0.13 -0.25 0.34 0.00 0.09 0.00 0.00 57.88 58.19 2dmq h LEU 40 Cb 0.16 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2dmq h LEU 40 CO -0.01 0.63 1.20 0.00 0.09 0.00 0.00 178.44 180.35 2dmq h ALA 41 N 0.90 3.10 0.00 1.53 0.00 -1.04 0.23 119.26 123.97 2dmq h ALA 41 Ca 0.10 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2dmq h ALA 41 Cb 0.33 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2dmq h ALA 41 CO 0.00 -1.81 -1.13 1.04 0.00 0.00 0.00 179.25 177.36 2dmq n GLN 42 N -3.43 0.53 -0.21 0.00 6.02 -1.02 -0.43 117.38 118.84 2dmq n GLN 42 Ca 0.26 0.53 0.26 0.00 -0.01 0.00 0.00 57.00 58.04 2dmq n GLN 42 Cb 1.56 -1.70 0.65 0.00 1.02 0.00 0.00 30.24 31.77 2dmq n GLN 42 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2dmq h LYS 43 N -1.00 0.14 0.00 -1.09 1.57 -0.51 -2.03 116.57 113.64 2dmq h LYS 43 Ca -0.26 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.24 2dmq h LYS 43 Cb 1.08 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 2dmq h LYS 43 CO -0.16 0.09 -2.03 0.25 -0.57 0.00 0.00 179.45 177.03 2dmq n THR 44 N -4.36 1.03 -0.07 -0.16 -2.24 0.20 -4.83 114.28 103.86 2dmq n THR 44 Ca 0.19 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2dmq n THR 44 Cb 0.89 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 2.12 1.13 2.27 3.38 0.00 0.43 -4.82 105.19 109.70 2dmq n GLY 45 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.78 0.99 4.77 -1.06 -4.89 117.00 112.04 2dmq n LEU 46 Ca 0.00 -0.80 -0.29 0.00 -0.03 0.00 0.00 56.01 54.89 2dmq n LEU 46 Cb 0.00 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 2dmq n LEU 46 CO 0.00 -1.49 -0.26 0.28 -1.33 0.00 0.00 177.39 174.59 2dmq s THR 47 N -2.46 4.51 0.29 -5.08 -1.32 -1.26 -4.57 115.64 105.75 2dmq s THR 47 Ca 0.45 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 60.08 2dmq s THR 47 Cb -0.03 -3.20 0.38 0.00 -1.51 0.00 0.00 72.50 68.14 2dmq s THR 47 CO 0.34 0.07 1.59 0.50 -2.21 0.00 0.00 174.62 174.90 2dmq h LYS 48 N 3.09 0.04 0.39 7.08 3.64 -1.94 0.78 116.57 129.64 2dmq h LYS 48 Ca -0.47 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2dmq h LYS 48 Cb 1.17 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2dmq h LYS 48 CO 0.65 0.03 -0.40 -0.09 -2.27 0.00 0.00 179.45 177.37 2dmq h ARG 49 N 0.04 -0.78 -0.56 1.90 2.43 -1.99 0.11 114.38 115.53 2dmq h ARG 49 Ca 0.55 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.89 2dmq h ARG 49 Cb 1.09 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 30.72 2dmq h ARG 49 CO -0.86 -0.52 -0.02 0.28 -1.51 0.00 0.00 179.97 177.34 2dmq h VAL 50 N -0.81 0.53 0.94 0.20 2.07 -1.30 0.02 116.25 117.90 2dmq h VAL 50 Ca -0.03 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2dmq h VAL 50 Cb 0.73 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2dmq h VAL 50 CO -0.07 0.02 -0.45 -0.07 0.02 0.00 0.00 177.57 177.01 2dmq h LEU 51 N 0.10 -1.07 -0.52 2.57 3.38 -0.89 -0.78 115.31 118.09 2dmq h LEU 51 Ca 0.29 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.39 2dmq h LEU 51 Cb 0.45 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 2dmq h LEU 51 CO -0.49 -0.77 -0.33 1.56 0.09 0.00 0.00 178.44 178.50 2dmq h GLN 52 N -1.26 -0.18 0.31 1.13 1.08 -0.37 -0.95 115.11 114.87 2dmq h GLN 52 Ca -0.13 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2dmq h GLN 52 Cb 0.97 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 2dmq h GLN 52 CO 0.21 -0.12 -0.31 0.28 -0.95 0.00 0.00 178.83 177.94 2dmq h VAL 53 N -0.19 0.00 -0.99 -0.54 2.07 -0.94 -0.94 116.25 114.71 2dmq h VAL 53 Ca 0.21 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.86 2dmq h VAL 53 Cb 0.54 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.17 2dmq h VAL 53 CO -0.63 0.00 -0.46 -0.25 0.02 0.00 0.00 177.57 176.25 2dmq h TRP 54 N -0.62 -1.38 0.19 1.57 7.01 -0.74 0.53 115.95 122.52 2dmq h TRP 54 Ca -0.04 0.11 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2dmq h TRP 54 Cb 0.54 0.74 -0.04 0.00 -2.10 0.00 0.00 29.16 28.30 2dmq h TRP 54 CO -0.18 -0.39 -0.44 0.74 -2.79 0.00 0.00 178.44 175.38 2dmq h PHE 55 N -0.00 -1.24 -0.97 2.65 -1.00 -1.02 -1.53 116.94 113.83 2dmq h PHE 55 Ca 0.28 0.03 0.26 0.00 2.81 0.00 0.00 57.97 61.34 2dmq h PHE 55 Cb 0.53 0.52 -0.13 0.00 3.61 0.00 0.00 35.95 40.48 2dmq h PHE 55 CO -0.93 -0.55 0.53 1.96 -1.61 0.00 0.00 178.31 177.71 2dmq h GLN 56 N -0.72 0.45 -0.87 1.51 1.08 0.40 0.36 115.11 117.31 2dmq h GLN 56 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2dmq h GLN 56 Cb 0.72 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 2dmq h GLN 56 CO -0.21 0.30 0.45 -0.91 -0.95 0.00 0.00 178.83 177.51 2dmq h ASN 57 N 0.46 1.11 0.32 1.46 2.35 -0.02 -3.08 115.58 118.18 2dmq h ASN 57 Ca 0.64 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 2dmq h ASN 57 Cb 1.29 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2dmq h ASN 57 CO -0.53 0.91 -0.44 0.00 -1.65 0.00 0.00 177.43 175.72 2dmq h ALA 58 N 1.25 -0.90 -1.03 -0.83 0.00 0.46 -1.86 119.26 116.34 2dmq h ALA 58 Ca 0.30 -0.13 0.40 0.00 0.00 0.00 0.00 54.91 55.48 2dmq h ALA 58 Cb 0.06 0.67 -0.17 0.00 0.00 0.00 0.00 17.79 18.36 2dmq h ALA 58 CO -0.04 -1.06 0.58 0.00 0.00 0.00 0.00 179.25 178.73 2dmq h ARG 59 N -0.81 0.09 -0.95 0.00 3.08 -1.42 1.27 114.38 115.63 2dmq h ARG 59 Ca -0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dmq h ARG 59 Cb 0.75 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2dmq h ARG 59 CO -0.13 0.06 0.58 0.00 -1.07 0.00 0.00 179.97 179.40 2dmq h ALA 60 N 1.93 1.22 0.43 0.04 0.00 -1.35 -1.73 119.26 119.80 2dmq h ALA 60 Ca 0.82 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 2dmq h ALA 60 Cb 2.14 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2dmq h ALA 60 CO -0.70 0.67 -0.21 -0.22 0.00 0.00 0.00 179.25 178.79 2dmq h LYS 61 N 1.31 -0.56 -0.45 0.00 3.64 0.17 -2.83 116.57 117.86 2dmq h LYS 61 Ca 0.34 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.89 2dmq h LYS 61 Cb -0.06 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2dmq h LYS 61 CO -0.06 -0.33 0.61 0.35 -2.27 0.00 0.00 179.45 177.75 2dmq h PHE 62 N -1.12 0.00 0.00 1.91 3.04 -1.28 0.97 116.94 120.46 2dmq h PHE 62 Ca -0.06 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.70 2dmq h PHE 62 Cb 0.49 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 2dmq h PHE 62 CO 0.01 0.00 -0.91 0.00 -2.02 0.00 0.00 178.31 175.39 2dmq h ARG 63 N 0.00 0.00 0.05 1.11 3.08 -1.25 -2.86 114.38 114.51 2dmq h ARG 63 Ca 0.21 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.99 2dmq h ARG 63 Cb 1.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 2dmq h ARG 63 CO -0.00 0.91 -1.46 0.07 -1.07 0.00 0.00 179.97 178.42 2dmq h ARG 64 N 0.00 0.10 -0.06 0.04 -0.00 0.11 -3.33 114.38 111.23 2dmq h ARG 64 Ca -0.01 -0.16 -0.14 0.00 -0.00 0.00 0.00 59.98 59.67 2dmq h ARG 64 Cb 1.68 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 31.70 2dmq h ARG 64 CO 0.12 0.88 -0.59 -0.97 -0.00 0.00 0.00 179.97 179.41 2dmq h ASN 65 N 0.03 0.23 -0.12 0.08 -1.24 -1.02 -2.90 115.58 110.63 2dmq h ASN 65 Ca -0.20 -0.13 0.04 0.00 0.71 0.00 0.00 56.30 56.72 2dmq h ASN 65 Cb 1.95 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.93 2dmq h ASN 65 CO 0.12 0.76 0.15 0.25 -1.29 0.00 0.00 177.43 177.43 2dmq h LEU 66 N 0.15 0.00 -2.94 0.34 5.85 -1.61 0.33 115.31 117.44 2dmq h LEU 66 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dmq h LEU 66 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2dmq h LEU 66 CO 0.09 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.37 2dmq n LEU 67 N -3.71 4.45 -4.18 2.25 4.77 -1.11 -4.94 117.00 114.54 2dmq n LEU 67 Ca 0.00 -2.24 -0.35 0.00 -0.03 0.00 0.00 56.01 53.39 2dmq n LEU 67 Cb 0.26 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2dmq n LEU 67 CO 0.26 0.85 -0.03 -1.14 -1.33 0.00 0.00 177.39 176.00 2dmq n ARG 68 N 1.29 -3.37 -1.25 3.23 0.63 0.12 -4.83 116.66 112.48 2dmq n ARG 68 Ca 0.25 0.39 -0.31 0.00 -0.92 0.00 0.00 57.85 57.27 2dmq n ARG 68 Cb 0.80 -5.08 0.09 0.00 0.45 0.00 0.00 32.46 28.72 2dmq n ARG 68 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2dmq n GLN 69 N -4.42 2.50 -3.72 -0.14 7.27 -1.17 -4.88 117.38 112.83 2dmq n GLN 69 Ca 0.04 -3.03 -0.12 0.00 0.07 0.00 0.00 57.00 53.96 2dmq n GLN 69 Cb 0.51 -2.19 -0.11 0.00 2.41 0.00 0.00 30.24 30.86 2dmq n GLN 69 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2dmq s GLU 70 N -3.49 0.36 0.14 3.69 2.12 -1.26 -4.95 118.70 115.30 2dmq s GLU 70 Ca 0.59 0.63 -0.35 0.00 0.36 0.00 0.00 54.97 56.21 2dmq s GLU 70 Cb 0.47 0.03 -0.16 0.00 0.26 0.00 0.00 34.13 34.73 2dmq s GLU 70 CO 0.01 -0.12 1.29 0.09 -0.54 0.00 0.00 175.26 175.99 2dmq n ASN 71 N 3.79 1.70 0.00 -1.70 3.02 -1.26 -4.72 115.26 116.10 2dmq n ASN 71 Ca -0.20 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 2dmq n ASN 71 Cb 0.55 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 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 2.36 0.46 0.00 7.41 0.00 -1.26 -5.12 105.19 109.04 2dmq n GLY 72 Ca 0.16 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 3.78 -0.02 0.00 -1.26 -5.11 105.19 104.44 2dmq n GLY 73 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2dmq n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmq s VAL 74 N 0.00 3.34 0.36 1.61 -7.23 -1.26 -5.07 120.40 112.15 2dmq s VAL 74 Ca 0.00 -1.56 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 2dmq s VAL 74 Cb 0.00 -3.08 -0.11 0.00 0.56 0.00 0.00 36.38 33.75 2dmq s VAL 74 CO 0.00 -0.20 -0.08 -1.54 -0.31 0.00 0.00 175.10 172.97 2dmq n SER 75 N -1.22 -2.62 -2.86 4.85 3.41 -1.26 -4.97 113.62 108.95 2dmq n SER 75 Ca -0.03 0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 59.05 2dmq n SER 75 Cb 0.60 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2dmq n SER 75 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmq s GLY 76 N -0.73 -1.39 0.45 5.00 0.00 -1.26 -5.15 107.32 104.24 2dmq s GLY 76 Ca 0.42 0.03 -0.23 0.00 0.00 0.00 0.00 44.72 44.93 2dmq s GLY 76 CO 0.48 3.81 1.17 2.56 0.00 0.00 0.00 173.10 181.12 2dmq s PRO 77 N 1.22 3.81 0.21 2.90 0.04 -1.26 -5.04 135.00 136.88 2dmq s PRO 77 Ca 0.24 1.79 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2dmq s PRO 77 Cb 0.01 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 32.11 2dmq s PRO 77 CO -0.07 -0.51 0.36 -1.13 0.04 0.00 0.00 177.00 175.68 2dmq n SER 78 N -0.38 -1.03 -4.41 6.66 3.41 -1.26 -5.09 113.62 111.52 2dmq n SER 78 Ca 0.07 -2.02 -0.50 0.00 -0.26 0.00 0.00 58.87 56.16 2dmq n SER 78 Cb 0.48 1.80 -0.09 0.00 -0.26 0.00 0.00 64.21 66.13 2dmq n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmq n SER 79 N -1.60 1.44 0.00 4.04 2.88 -1.26 -5.37 113.62 113.75 2dmq n SER 79 Ca -0.02 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2dmq n SER 79 Cb 0.34 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2dmq n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42