#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 4.11 0.47 1.61 1.04 -1.26 -5.03 113.70 114.65 2dmq s SER 2 Ca 0.00 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.13 2dmq s SER 2 Cb 0.00 -0.29 -0.07 0.00 0.10 0.00 0.00 66.02 65.75 2dmq s SER 2 CO 0.00 -2.03 1.40 -0.55 0.98 0.00 0.00 173.24 173.04 2dmq s SER 3 N -4.73 5.74 0.00 7.02 0.15 -1.26 -4.88 113.70 115.74 2dmq s SER 3 Ca 0.67 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.18 2dmq s SER 3 Cb -0.06 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2dmq s SER 3 CO 0.46 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2dmq n GLY 4 N 0.62 0.11 3.37 9.45 0.00 -1.26 -5.08 105.19 112.41 2dmq n GLY 4 Ca 0.06 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2dmq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmq s SER 5 N -4.00 5.52 -0.09 1.61 0.01 -1.26 -5.07 113.70 110.43 2dmq s SER 5 Ca 0.00 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.43 2dmq s SER 5 Cb 0.00 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.28 2dmq s SER 5 CO 0.00 -0.29 -0.09 -0.94 0.41 0.00 0.00 173.24 172.33 2dmq s SER 6 N 1.54 1.87 0.00 2.44 1.04 -1.26 -5.08 113.70 114.24 2dmq s SER 6 Ca 0.02 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2dmq s SER 6 Cb -0.18 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2dmq s SER 6 CO 0.05 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2dmq n GLY 7 N 4.41 3.93 0.73 7.32 0.00 -1.26 -5.08 105.19 115.23 2dmq n GLY 7 Ca -0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 2dmq n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dmq n LYS 8 N -0.95 0.17 -2.65 1.61 4.76 -1.26 -5.00 118.16 114.84 2dmq n LYS 8 Ca 0.00 0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 2dmq n LYS 8 Cb 0.00 -0.77 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 2dmq n LYS 8 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dmq s ARG 9 N -2.23 4.44 -0.19 1.97 6.06 -1.26 -5.03 118.95 122.71 2dmq s ARG 9 Ca -0.09 1.45 -0.16 0.00 -2.50 0.00 0.00 55.73 54.43 2dmq s ARG 9 Cb 0.01 -3.52 0.05 0.00 0.06 0.00 0.00 34.95 31.55 2dmq s ARG 9 CO 0.14 -0.28 0.49 1.41 -2.50 0.00 0.00 175.30 174.56 2dmq s MET 10 N 1.80 0.56 -0.05 5.12 1.75 -1.26 -5.17 119.30 122.05 2dmq s MET 10 Ca 0.50 0.74 -0.07 0.00 -1.25 0.00 0.00 55.69 55.61 2dmq s MET 10 Cb -0.20 0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.71 2dmq s MET 10 CO 0.21 -0.09 0.19 1.03 -0.65 0.00 0.00 175.02 175.71 2dmq s ARG 11 N 0.52 0.33 -0.68 4.11 0.52 -1.26 -5.11 118.95 117.38 2dmq s ARG 11 Ca -0.02 0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.00 2dmq s ARG 11 Cb -0.04 0.15 0.07 0.00 0.52 0.00 0.00 34.95 35.65 2dmq s ARG 11 CO -0.03 -0.06 1.00 0.95 0.02 0.00 0.00 175.30 177.18 2dmq s THR 12 N -0.43 4.28 -0.36 0.02 -4.23 -1.26 -4.96 115.64 108.71 2dmq s THR 12 Ca -0.05 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2dmq s THR 12 Cb -0.03 -4.71 0.12 0.00 1.34 0.00 0.00 72.50 69.21 2dmq s THR 12 CO 0.01 -1.50 0.16 -0.94 -0.54 0.00 0.00 174.62 171.81 2dmq s SER 13 N 3.70 3.75 -0.08 3.99 1.04 -1.26 -5.10 113.70 119.74 2dmq s SER 13 Ca 0.24 -2.02 0.02 0.00 0.48 0.00 0.00 55.95 54.66 2dmq s SER 13 Cb -0.16 -0.84 0.02 0.00 0.10 0.00 0.00 66.02 65.14 2dmq s SER 13 CO 0.10 -0.35 -0.12 -0.36 0.98 0.00 0.00 173.24 173.48 2dmq s PHE 14 N 1.15 1.52 0.57 5.02 0.08 -1.26 -5.13 117.98 119.92 2dmq s PHE 14 Ca 0.13 -0.61 -0.17 0.00 0.12 0.00 0.00 56.93 56.40 2dmq s PHE 14 Cb -0.20 -1.14 -0.05 0.00 -0.57 0.00 0.00 43.02 41.06 2dmq s PHE 14 CO -0.14 -0.34 1.06 0.15 -0.10 0.00 0.00 175.22 175.85 2dmq s LYS 15 N 0.87 3.43 0.22 0.44 -0.14 -1.26 -4.91 119.74 118.38 2dmq s LYS 15 Ca -0.11 1.25 0.19 0.00 -1.36 0.00 0.00 55.97 55.95 2dmq s LYS 15 Cb -0.15 -2.05 0.88 0.00 -1.68 0.00 0.00 37.83 34.83 2dmq s LYS 15 CO 0.01 -0.73 1.57 0.72 -0.76 0.00 0.00 175.35 176.17 2dmq n HIS 16 N -1.76 0.58 -0.01 3.18 8.25 -1.26 -2.38 115.22 121.82 2dmq n HIS 16 Ca 0.09 0.26 -0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2dmq n HIS 16 Cb 0.53 -0.92 -0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -0.56 4.41 3.86 -2.00 -3.13 115.15 117.73 2dmq h HIS 17 Ca 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 2dmq h HIS 17 Cb 0.18 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.54 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 -0.24 -0.04 -0.40 2.45 3.07 -1.86 -0.80 115.11 117.28 2dmq h GLN 18 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.82 2dmq h GLN 18 Cb 0.03 0.01 -0.07 0.00 0.08 0.00 0.00 27.48 27.53 2dmq h GLN 18 CO 0.00 -0.03 -0.04 -0.07 0.09 0.00 0.00 178.83 178.78 2dmq h LEU 19 N -0.05 -0.26 -0.92 0.06 3.38 -1.67 -1.73 115.31 114.14 2dmq h LEU 19 Ca 0.26 0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.58 2dmq h LEU 19 Cb 0.45 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.24 2dmq h LEU 19 CO -0.60 -0.09 -0.04 -1.14 0.09 0.00 0.00 178.44 176.67 2dmq n ARG 20 N -5.25 -0.08 -0.07 1.13 3.00 -0.31 0.14 116.66 115.23 2dmq n ARG 20 Ca 0.03 1.39 -0.12 0.00 -0.00 0.00 0.00 57.85 59.14 2dmq n ARG 20 Cb 0.22 -2.17 -0.00 0.00 0.00 0.00 0.00 32.46 30.50 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 1.28 0.28 5.15 2.02 -1.30 -2.48 112.91 117.86 2dmq h THR 21 Ca 0.53 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 2dmq h THR 21 Cb 1.04 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2dmq h THR 21 CO -0.88 0.54 -0.13 0.24 0.37 0.00 0.00 175.52 175.65 2dmq h MET 22 N 0.65 -0.36 -0.62 6.66 2.86 0.17 -3.06 114.93 121.23 2dmq h MET 22 Ca 0.03 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.80 2dmq h MET 22 Cb 1.05 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.68 2dmq h MET 22 CO 0.10 -0.24 -0.38 0.87 1.06 0.00 0.00 176.91 178.33 2dmq h LYS 23 N -0.62 -0.17 -1.18 1.72 1.57 0.22 0.60 116.57 118.72 2dmq h LYS 23 Ca -0.04 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.09 2dmq h LYS 23 Cb 0.29 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 2dmq h LYS 23 CO 0.06 -0.11 0.81 0.77 -0.57 0.00 0.00 179.45 180.41 2dmq h SER 24 N -0.18 0.19 0.13 0.86 0.02 -1.55 0.22 113.55 113.25 2dmq h SER 24 Ca 0.22 0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 60.98 2dmq h SER 24 Cb 0.56 0.02 0.03 0.00 0.14 0.00 0.00 62.40 63.14 2dmq h SER 24 CO -0.71 0.01 -1.01 0.22 -1.14 0.00 0.00 176.83 174.20 2dmq h TYR 25 N 0.16 0.76 -1.49 3.45 5.03 0.24 -3.26 116.97 121.86 2dmq h TYR 25 Ca 0.62 -0.51 0.43 0.00 2.58 0.00 0.00 58.73 61.85 2dmq h TYR 25 Cb 2.08 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 40.25 2dmq h TYR 25 CO -0.00 1.37 1.11 0.35 -1.32 0.00 0.00 178.16 179.67 2dmq h PHE 26 N -0.07 0.00 0.00 -3.82 3.57 0.12 1.65 116.94 118.39 2dmq h PHE 26 Ca -0.16 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.10 2dmq h PHE 26 Cb 1.76 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.46 2dmq h PHE 26 CO 0.16 0.00 -1.24 0.00 -2.23 0.00 0.00 178.31 175.00 2dmq h ALA 27 N 1.18 0.49 0.01 2.41 0.00 -1.57 -3.32 119.26 118.45 2dmq h ALA 27 Ca 0.71 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2dmq h ALA 27 Cb 2.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.77 2dmq h ALA 27 CO -0.01 1.36 -0.00 0.82 0.00 0.00 0.00 179.25 181.42 2dmq h ILE 28 N 0.00 1.55 -2.69 0.00 2.04 0.23 -3.44 117.51 115.20 2dmq h ILE 28 Ca -0.10 -1.73 -0.33 0.00 1.00 0.00 0.00 64.86 63.69 2dmq h ILE 28 Cb 1.85 2.71 -0.37 0.00 -0.74 0.00 0.00 36.82 40.28 2dmq h ILE 28 CO 0.11 0.44 -0.64 0.21 0.00 0.00 0.00 178.15 178.27 2dmq s ASN 29 N -5.94 1.42 0.07 1.72 2.47 0.07 -5.03 114.94 109.73 2dmq s ASN 29 Ca -0.17 -0.19 -0.21 0.00 0.42 0.00 0.00 52.86 52.71 2dmq s ASN 29 Cb -0.01 0.28 -0.11 0.00 -1.45 0.00 0.00 41.25 39.96 2dmq s ASN 29 CO 0.67 -0.32 1.57 0.45 -3.72 0.00 0.00 177.10 175.74 2dmq h HIS 30 N 8.34 0.27 -3.45 0.43 3.86 -1.81 -3.35 115.15 119.43 2dmq h HIS 30 Ca -0.16 -0.03 -0.73 0.00 -1.16 0.00 0.00 60.37 58.28 2dmq h HIS 30 Cb 1.15 -0.08 -0.33 0.00 1.06 0.00 0.00 27.41 29.21 2dmq h HIS 30 CO 0.18 0.40 0.03 -0.80 0.86 0.00 0.00 177.93 178.59 2dmq s ASN 31 N -5.66 6.30 0.95 2.45 0.02 -1.26 -4.96 114.94 112.78 2dmq s ASN 31 Ca -0.14 -3.50 -0.12 0.00 -1.02 0.00 0.00 52.86 48.08 2dmq s ASN 31 Cb 0.06 -2.00 0.16 0.00 0.02 0.00 0.00 41.25 39.49 2dmq s ASN 31 CO 0.71 -0.26 1.09 -2.16 0.02 0.00 0.00 177.10 176.50 2dmq s PRO 32 N -1.05 0.85 0.52 -0.60 0.04 -1.26 -5.07 135.00 128.43 2dmq s PRO 32 Ca 0.26 0.67 0.05 0.00 0.04 0.00 0.00 61.00 62.02 2dmq s PRO 32 Cb -0.10 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2dmq s PRO 32 CO -0.10 -2.49 0.72 -0.51 0.04 0.00 0.00 177.00 174.66 2dmq s ASP 33 N -3.44 5.32 0.26 6.66 1.11 -1.26 -4.95 116.67 120.38 2dmq s ASP 33 Ca 0.64 -0.29 -0.04 0.00 0.18 0.00 0.00 52.55 53.05 2dmq s ASP 33 Cb -0.18 -0.60 0.35 0.00 1.07 0.00 0.00 42.92 43.56 2dmq s ASP 33 CO 0.57 -1.08 1.89 0.00 1.18 0.00 0.00 175.17 177.74 2dmq h ALA 34 N 0.25 1.34 -0.35 5.23 0.00 -1.99 -1.33 119.26 122.41 2dmq h ALA 34 Ca -0.40 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2dmq h ALA 34 Cb 1.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2dmq h ALA 34 CO 0.47 0.50 0.15 -0.22 0.00 0.00 0.00 179.25 180.15 2dmq h LYS 35 N 1.22 0.31 -0.41 0.00 3.11 -2.00 -1.71 116.57 117.09 2dmq h LYS 35 Ca 0.41 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 58.15 2dmq h LYS 35 Cb 0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 2dmq h LYS 35 CO -0.14 0.21 -0.07 0.22 -2.81 0.00 0.00 179.45 176.86 2dmq h ASP 36 N 0.32 0.68 0.20 4.20 1.82 -1.82 -2.00 116.42 119.82 2dmq h ASP 36 Ca 0.15 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2dmq h ASP 36 Cb 0.09 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 2dmq h ASP 36 CO -0.13 0.79 -0.14 -0.07 -1.61 0.00 0.00 179.24 178.09 2dmq h LEU 37 N 0.65 -0.35 -1.39 2.28 3.38 -0.60 -0.12 115.31 119.16 2dmq h LEU 37 Ca 0.12 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2dmq h LEU 37 Cb 0.50 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2dmq h LEU 37 CO 0.03 -0.22 -0.10 0.07 0.09 0.00 0.00 178.44 178.31 2dmq h LYS 38 N -0.34 0.29 -0.42 1.13 2.10 -1.26 -1.65 116.57 116.42 2dmq h LYS 38 Ca -0.01 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.45 2dmq h LYS 38 Cb 0.29 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2dmq h LYS 38 CO 0.01 0.40 -0.21 1.96 -2.00 0.00 0.00 179.45 179.60 2dmq h GLN 39 N 0.27 0.83 -0.10 0.07 1.08 -0.88 -3.19 115.11 113.20 2dmq h GLN 39 Ca 0.06 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 56.85 2dmq h GLN 39 Cb 0.35 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2dmq h GLN 39 CO 0.02 0.97 -0.21 -0.07 -0.95 0.00 0.00 178.83 178.59 2dmq h LEU 40 N 0.72 0.35 -1.23 1.46 3.38 -0.59 -2.81 115.31 116.60 2dmq h LEU 40 Ca 0.10 -0.57 0.17 0.00 0.09 0.00 0.00 57.88 57.68 2dmq h LEU 40 Cb 0.74 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2dmq h LEU 40 CO 0.06 0.85 0.89 0.00 0.09 0.00 0.00 178.44 180.33 2dmq h ALA 41 N 0.51 2.42 0.00 1.53 0.00 -1.30 0.99 119.26 123.41 2dmq h ALA 41 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2dmq h ALA 41 Cb 0.80 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2dmq h ALA 41 CO 0.05 -1.20 -1.16 1.04 0.00 0.00 0.00 179.25 177.97 2dmq n GLN 42 N -3.21 0.53 0.17 0.00 1.13 -1.16 -0.21 117.38 114.63 2dmq n GLN 42 Ca 0.13 0.51 0.19 0.00 -1.94 0.00 0.00 57.00 55.88 2dmq n GLN 42 Cb 1.09 -1.68 0.78 0.00 0.11 0.00 0.00 30.24 30.53 2dmq n GLN 42 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2dmq h LYS 43 N -1.00 0.00 0.00 -1.09 1.57 -0.76 -2.91 116.57 112.38 2dmq h LYS 43 Ca -0.26 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.32 2dmq h LYS 43 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2dmq h LYS 43 CO -0.16 0.00 -1.69 0.25 -0.57 0.00 0.00 179.45 177.28 2dmq n THR 44 N -3.53 0.69 0.00 -0.16 -2.24 0.15 -4.87 114.28 104.32 2dmq n THR 44 Ca 0.04 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dmq n THR 44 Cb 0.52 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 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 2.59 2.42 3.59 3.38 0.00 0.70 -4.78 105.19 113.09 2dmq n GLY 45 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 0.96 0.33 0.99 1.43 -1.06 -4.85 118.68 116.48 2dmq s LEU 46 Ca 0.00 1.03 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2dmq s LEU 46 Cb 0.00 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2dmq s LEU 46 CO 0.00 -3.79 0.47 0.28 0.23 0.00 0.00 176.35 173.54 2dmq s THR 47 N -2.85 4.36 0.22 5.49 -1.32 -1.26 -4.31 115.64 115.97 2dmq s THR 47 Ca 0.68 -0.92 -0.10 0.00 -1.21 0.00 0.00 61.69 60.14 2dmq s THR 47 Cb -0.17 -3.53 0.23 0.00 -1.51 0.00 0.00 72.50 67.52 2dmq s THR 47 CO 0.58 -0.23 1.65 0.50 -2.21 0.00 0.00 174.62 174.92 2dmq h LYS 48 N 0.90 0.10 0.18 7.08 3.64 -1.95 -1.80 116.57 124.71 2dmq h LYS 48 Ca -0.47 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2dmq h LYS 48 Cb 1.25 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2dmq h LYS 48 CO 0.55 0.07 -0.51 -0.09 -2.27 0.00 0.00 179.45 177.20 2dmq h ARG 49 N 0.10 -0.75 -0.33 1.90 2.43 -1.99 0.10 114.38 115.85 2dmq h ARG 49 Ca 0.35 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.63 2dmq h ARG 49 Cb 0.58 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.22 2dmq h ARG 49 CO -0.58 -0.50 -0.47 0.28 -1.51 0.00 0.00 179.97 177.19 2dmq h VAL 50 N -0.78 0.08 -0.49 0.20 2.07 -1.75 0.14 116.25 115.72 2dmq h VAL 50 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2dmq h VAL 50 Cb 0.77 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 2dmq h VAL 50 CO -0.25 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.16 2dmq h LEU 51 N -0.40 -0.43 -0.32 2.57 3.38 -1.09 0.18 115.31 119.20 2dmq h LEU 51 Ca 0.10 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.26 2dmq h LEU 51 Cb 0.61 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2dmq h LEU 51 CO -0.53 -0.15 0.09 1.56 0.09 0.00 0.00 178.44 179.50 2dmq h GLN 52 N 0.01 0.22 0.78 1.13 1.08 0.16 -1.77 115.11 116.72 2dmq h GLN 52 Ca 0.24 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2dmq h GLN 52 Cb 0.36 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2dmq h GLN 52 CO -0.49 0.14 -0.37 0.28 -0.95 0.00 0.00 178.83 177.44 2dmq h VAL 53 N 0.22 0.00 -0.43 -0.54 2.07 0.36 -1.27 116.25 116.66 2dmq h VAL 53 Ca 0.15 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2dmq h VAL 53 Cb 0.14 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 2dmq h VAL 53 CO -0.17 0.00 -0.33 -0.25 0.02 0.00 0.00 177.57 176.84 2dmq h TRP 54 N -1.09 -1.05 -0.38 1.57 7.01 -0.63 0.45 115.95 121.83 2dmq h TRP 54 Ca -0.11 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.03 2dmq h TRP 54 Cb 0.80 0.51 -0.09 0.00 -2.10 0.00 0.00 29.16 28.29 2dmq h TRP 54 CO 0.04 -0.24 -0.33 0.74 -2.79 0.00 0.00 178.44 175.86 2dmq h PHE 55 N -0.10 -0.91 -0.74 2.65 -1.00 -1.38 0.22 116.94 115.70 2dmq h PHE 55 Ca 0.07 0.06 0.14 0.00 2.81 0.00 0.00 57.97 61.05 2dmq h PHE 55 Cb 0.28 0.45 -0.05 0.00 3.61 0.00 0.00 35.95 40.25 2dmq h PHE 55 CO -0.86 -0.38 0.49 1.96 -1.61 0.00 0.00 178.31 177.91 2dmq h GLN 56 N -0.26 0.41 0.00 1.51 1.08 0.03 0.17 115.11 118.04 2dmq h GLN 56 Ca 0.17 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.22 2dmq h GLN 56 Cb 0.54 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2dmq h GLN 56 CO -0.52 0.27 -0.57 -0.91 -0.95 0.00 0.00 178.83 176.15 2dmq h ASN 57 N 0.42 0.00 0.62 1.46 2.35 0.29 -3.27 115.58 117.45 2dmq h ASN 57 Ca 0.36 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 2dmq h ASN 57 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.18 2dmq h ASN 57 CO -0.11 0.57 -0.30 0.00 -1.65 0.00 0.00 177.43 175.94 2dmq h ALA 58 N 1.43 -0.83 -1.10 -0.83 0.00 0.15 -2.67 119.26 115.41 2dmq h ALA 58 Ca -0.01 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.01 2dmq h ALA 58 Cb 1.12 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.13 2dmq h ALA 58 CO 0.07 -0.88 0.71 0.00 0.00 0.00 0.00 179.25 179.15 2dmq h ARG 59 N -1.00 0.31 0.26 0.00 3.08 -1.57 0.97 114.38 116.42 2dmq h ARG 59 Ca -0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2dmq h ARG 59 Cb 0.68 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2dmq h ARG 59 CO 0.14 0.20 -0.12 0.00 -1.07 0.00 0.00 179.97 179.12 2dmq h ALA 60 N 1.62 -0.35 -0.66 0.04 0.00 -1.56 -2.46 119.26 115.89 2dmq h ALA 60 Ca 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2dmq h ALA 60 Cb 1.75 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 2dmq h ALA 60 CO -0.33 -0.60 0.36 -0.22 0.00 0.00 0.00 179.25 178.46 2dmq h LYS 61 N -0.53 0.92 -0.12 0.00 3.64 -0.65 -3.01 116.57 116.81 2dmq h LYS 61 Ca -0.04 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2dmq h LYS 61 Cb 0.39 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2dmq h LYS 61 CO 0.06 0.69 -0.29 0.35 -2.27 0.00 0.00 179.45 177.99 2dmq h PHE 62 N 0.91 -0.78 -0.87 1.91 3.04 -0.85 -1.11 116.94 119.18 2dmq h PHE 62 Ca 0.23 0.03 0.36 0.00 3.98 0.00 0.00 57.97 62.57 2dmq h PHE 62 Cb 0.04 0.36 -0.16 0.00 2.56 0.00 0.00 35.95 38.75 2dmq h PHE 62 CO -0.01 -0.37 0.43 0.54 -2.02 0.00 0.00 178.31 176.89 2dmq n ARG 63 N -5.39 -0.05 0.10 1.11 1.74 -0.93 0.05 116.66 113.28 2dmq n ARG 63 Ca -0.03 1.21 -0.10 0.00 -0.77 0.00 0.00 57.85 58.16 2dmq n ARG 63 Cb 0.31 -2.15 -0.06 0.00 -1.02 0.00 0.00 32.46 29.54 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 -0.32 -0.24 5.56 2.43 -1.31 -3.24 114.38 117.26 2dmq h ARG 64 Ca 0.72 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.97 2dmq h ARG 64 Cb 1.89 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 31.44 2dmq h ARG 64 CO -0.68 0.02 -0.24 -0.91 -1.51 0.00 0.00 179.97 176.65 2dmq h ASN 65 N -0.94 -0.77 -0.97 -3.80 2.35 0.01 -1.65 115.58 109.82 2dmq h ASN 65 Ca -0.03 0.14 0.22 0.00 -0.55 0.00 0.00 56.30 56.07 2dmq h ASN 65 Cb 0.48 0.36 -0.18 0.00 0.05 0.00 0.00 38.32 39.03 2dmq h ASN 65 CO 0.06 -0.28 -0.14 0.25 -1.65 0.00 0.00 177.43 175.67 2dmq h LEU 66 N -0.25 -0.74 -0.94 1.61 6.46 -0.66 0.98 115.31 121.77 2dmq h LEU 66 Ca 0.14 0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 58.15 2dmq h LEU 66 Cb 0.46 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 40.90 2dmq h LEU 66 CO -0.38 -0.33 0.35 -0.07 -0.62 0.00 0.00 178.44 177.39 2dmq h LEU 67 N 0.01 1.02-10.05 2.25 3.38 -1.34 -3.43 115.31 107.14 2dmq h LEU 67 Ca 0.51 -0.13 -0.44 0.00 0.09 0.00 0.00 57.88 57.91 2dmq h LEU 67 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2dmq h LEU 67 CO -0.96 0.87 0.34 -0.60 0.09 0.00 0.00 178.44 178.19 2dmq s ARG 68 N -5.60 4.21 -0.57 1.13 6.06 0.34 -4.15 118.95 120.37 2dmq s ARG 68 Ca -0.12 1.15 -0.00 0.00 -2.50 0.00 0.00 55.73 54.26 2dmq s ARG 68 Cb 0.16 -2.20 -0.00 0.00 0.06 0.00 0.00 34.95 32.97 2dmq s ARG 68 CO 0.82 -0.05 0.48 0.94 -2.50 0.00 0.00 175.30 174.99 2dmq n GLN 69 N -0.61 -3.00 -3.98 5.12 7.27 -1.26 -4.88 117.38 116.04 2dmq n GLN 69 Ca 0.07 0.41 -0.30 0.00 0.07 0.00 0.00 57.00 57.26 2dmq n GLN 69 Cb 0.54 -4.08 -0.16 0.00 2.41 0.00 0.00 30.24 28.95 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 -4.56 2.02 -0.67 3.69 0.41 -1.26 -5.07 118.70 113.26 2dmq s GLU 70 Ca 0.02 -0.61 0.05 0.00 -0.41 0.00 0.00 54.97 54.02 2dmq s GLU 70 Cb -0.00 -2.13 0.16 0.00 -1.78 0.00 0.00 34.13 30.38 2dmq s GLU 70 CO 0.35 -0.33 0.45 -0.80 -0.49 0.00 0.00 175.26 174.45 2dmq s ASN 71 N 1.50 4.67 0.00 -0.19 -0.87 -1.26 -5.02 114.94 113.77 2dmq s ASN 71 Ca 0.02 -3.70 0.00 0.00 -1.57 0.00 0.00 52.86 47.61 2dmq s ASN 71 Cb -0.14 -1.61 0.00 0.00 -0.02 0.00 0.00 41.25 39.48 2dmq s ASN 71 CO -0.09 -0.11 0.00 0.61 -2.57 0.00 0.00 177.10 174.94 2dmq n GLY 72 N 2.18 0.76 1.74 0.66 0.00 -1.26 -5.07 105.19 104.18 2dmq n GLY 72 Ca 0.18 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -5.02 2.11 -0.02 0.00 -1.26 -4.93 105.19 96.07 2dmq n GLY 73 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2dmq n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dmq n VAL 74 N 1.38 2.44 -0.19 1.61 0.24 -1.26 -4.85 118.33 117.70 2dmq n VAL 74 Ca 0.00 -4.23 -0.02 0.00 -2.04 0.00 0.00 64.34 58.06 2dmq n VAL 74 Cb 0.00 -1.02 0.05 0.00 -1.47 0.00 0.00 33.84 31.40 2dmq n VAL 74 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2dmq h SER 75 N 2.25 -0.59 -3.83 -1.34 0.02 -2.01 -3.48 113.55 104.58 2dmq h SER 75 Ca 0.33 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2dmq h SER 75 Cb 1.46 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2dmq h SER 75 CO 0.74 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 2dmq n GLY 76 N -1.41 -1.55 0.17 -3.77 0.00 -1.26 -4.79 105.19 92.58 2dmq n GLY 76 Ca 0.06 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 2dmq n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmq h PRO 77 N 0.00 0.07 -6.65 1.61 0.13 -2.03 -3.45 132.00 121.68 2dmq h PRO 77 Ca 0.00 -0.04 -0.58 0.00 -0.87 0.00 0.00 66.00 64.51 2dmq h PRO 77 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2dmq h PRO 77 CO 0.00 0.54 0.27 -1.13 -0.23 0.00 0.00 178.00 177.45 2dmq n SER 78 N -3.97 1.75 -3.77 1.44 3.41 -1.26 -5.00 113.62 106.22 2dmq n SER 78 Ca -0.02 1.11 -0.14 0.00 -0.26 0.00 0.00 58.87 59.57 2dmq n SER 78 Cb 0.50 -1.39 -0.15 0.00 -0.26 0.00 0.00 64.21 62.92 2dmq n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmq s SER 79 N -0.58 -0.05 0.00 4.04 0.15 -1.26 -5.15 113.70 110.85 2dmq s SER 79 Ca 0.60 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2dmq s SER 79 Cb -0.58 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2dmq s SER 79 CO 0.59 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.51