#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 1.12 -0.08 1.61 0.15 -1.26 -5.08 113.70 110.17 2dmq s SER 2 Ca 0.00 -0.53 -0.11 0.00 0.70 0.00 0.00 55.95 56.01 2dmq s SER 2 Cb 0.00 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 2dmq s SER 2 CO 0.00 -0.13 -0.21 -1.20 1.20 0.00 0.00 173.24 172.89 2dmq n SER 3 N 1.54 1.53 0.00 5.45 7.64 -1.26 -5.15 113.62 123.38 2dmq n SER 3 Ca -0.21 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dmq n SER 3 Cb 0.55 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2dmq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmq n GLY 4 N 2.14 3.57 3.56 0.23 0.00 -1.26 -5.18 105.19 108.25 2dmq n GLY 4 Ca -0.09 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 0.61 -0.13 1.61 0.01 -1.26 -5.10 113.70 109.45 2dmq s SER 5 Ca 0.00 -1.35 -0.08 0.00 1.31 0.00 0.00 55.95 55.83 2dmq s SER 5 Cb 0.00 0.68 -0.06 0.00 0.21 0.00 0.00 66.02 66.85 2dmq s SER 5 CO 0.00 -1.34 0.06 0.28 0.41 0.00 0.00 173.24 172.66 2dmq h SER 6 N 2.12 0.00 0.00 2.44 0.02 -2.08 -3.51 113.55 112.54 2dmq h SER 6 Ca -0.29 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2dmq h SER 6 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2dmq h SER 6 CO 0.39 0.72 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 2dmq n GLY 7 N 1.68 0.70 3.88 -3.77 0.00 -1.26 -5.15 105.19 101.27 2dmq n GLY 7 Ca -0.06 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 2.10 3.70 -0.27 1.61 0.00 -1.26 -5.01 119.74 120.60 2dmq s LYS 8 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 55.97 56.13 2dmq s LYS 8 Cb 0.00 -2.98 0.46 0.00 0.00 0.00 0.00 37.83 35.30 2dmq s LYS 8 CO 0.00 0.56 1.19 2.89 0.00 0.00 0.00 175.35 179.99 2dmq n ARG 9 N 0.78 3.20 -2.84 1.78 1.85 -1.26 -5.01 116.66 115.16 2dmq n ARG 9 Ca -0.07 -3.99 -0.43 0.00 -1.00 0.00 0.00 57.85 52.35 2dmq n ARG 9 Cb 0.52 -2.13 -0.04 0.00 -1.05 0.00 0.00 32.46 29.76 2dmq n ARG 9 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2dmq s MET 10 N -3.52 3.29 0.00 2.89 -1.94 -1.26 -4.75 119.30 114.01 2dmq s MET 10 Ca 0.48 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 2dmq s MET 10 Cb 0.40 -4.08 0.00 0.00 2.01 0.00 0.00 34.83 33.16 2dmq s MET 10 CO 0.02 -1.53 0.00 2.89 -0.01 0.00 0.00 175.02 176.39 2dmq n ARG 11 N 7.49 1.82 -4.14 2.03 -4.01 -1.26 -5.01 116.66 113.59 2dmq n ARG 11 Ca 0.01 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.49 2dmq n ARG 11 Cb 0.47 -0.89 -0.16 0.00 -3.04 0.00 0.00 32.46 28.84 2dmq n ARG 11 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 2dmq s THR 12 N -1.64 2.06 0.31 8.89 -1.32 -1.26 -5.11 115.64 117.57 2dmq s THR 12 Ca 0.00 -0.94 -0.29 0.00 -1.21 0.00 0.00 61.69 59.25 2dmq s THR 12 Cb 0.00 -1.86 -0.10 0.00 -1.51 0.00 0.00 72.50 69.03 2dmq s THR 12 CO 0.00 0.54 1.36 -0.44 -2.21 0.00 0.00 174.62 173.87 2dmq s SER 13 N 1.28 6.71 0.62 8.08 0.01 -1.26 -5.01 113.70 124.13 2dmq s SER 13 Ca 0.05 2.70 -0.10 0.00 1.31 0.00 0.00 55.95 59.91 2dmq s SER 13 Cb -0.13 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.44 2dmq s SER 13 CO -0.13 -0.61 1.00 -0.36 0.41 0.00 0.00 173.24 173.55 2dmq s PHE 14 N -0.76 3.49 0.56 2.43 0.08 -1.26 -5.07 117.98 117.46 2dmq s PHE 14 Ca 0.52 1.08 -0.08 0.00 0.12 0.00 0.00 56.93 58.58 2dmq s PHE 14 Cb -0.41 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.26 2dmq s PHE 14 CO 0.50 -0.79 0.91 0.15 -0.10 0.00 0.00 175.22 175.89 2dmq s LYS 15 N -5.15 3.38 0.00 0.44 -0.14 -1.26 -4.97 119.74 112.04 2dmq s LYS 15 Ca 0.55 0.35 0.28 0.00 -1.36 0.00 0.00 55.97 55.79 2dmq s LYS 15 Cb -0.11 -2.24 1.29 0.00 -1.68 0.00 0.00 37.83 35.09 2dmq s LYS 15 CO 0.51 -0.48 1.94 0.72 -0.76 0.00 0.00 175.35 177.27 2dmq n HIS 16 N -2.53 0.00 -0.03 3.18 8.25 -1.26 -2.97 115.22 119.86 2dmq n HIS 16 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2dmq n HIS 16 Cb 0.55 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 -3.14 115.15 117.83 2dmq h HIS 17 Ca 0.00 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2dmq h HIS 17 Cb 0.42 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.82 2dmq h HIS 17 CO 0.00 0.00 0.07 -0.56 0.86 0.00 0.00 177.93 178.30 2dmq h GLN 18 N -0.53 0.19 -0.56 2.45 3.07 -1.87 -1.82 115.11 116.04 2dmq h GLN 18 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 58.65 58.76 2dmq h GLN 18 Cb 0.18 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.66 2dmq h GLN 18 CO 0.00 0.13 0.33 -0.07 0.09 0.00 0.00 178.83 179.31 2dmq h LEU 19 N 0.20 0.53 -1.52 0.06 3.38 -1.74 -1.86 115.31 114.36 2dmq h LEU 19 Ca 0.23 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.62 2dmq h LEU 19 Cb 0.31 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 2dmq h LEU 19 CO -0.32 0.37 0.88 -0.09 0.09 0.00 0.00 178.44 179.37 2dmq h ARG 20 N 0.66 0.12 0.05 1.13 2.43 -1.27 0.65 114.38 118.15 2dmq h ARG 20 Ca 0.23 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.18 2dmq h ARG 20 Cb 0.04 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2dmq h ARG 20 CO -0.11 0.08 -0.85 1.15 -1.51 0.00 0.00 179.97 178.74 2dmq h THR 21 N 0.13 1.39 0.43 0.20 2.02 -1.30 -3.22 112.91 112.55 2dmq h THR 21 Ca 0.76 -2.27 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 2dmq h THR 21 Cb 2.46 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 71.57 2dmq h THR 21 CO -0.31 0.67 -0.21 0.24 0.37 0.00 0.00 175.52 176.29 2dmq h MET 22 N 0.01 -0.56 -0.84 6.66 2.86 0.19 -3.07 114.93 120.18 2dmq h MET 22 Ca -0.12 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2dmq h MET 22 Cb 1.56 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 33.22 2dmq h MET 22 CO 0.16 -0.37 -0.34 1.63 1.06 0.00 0.00 176.91 179.05 2dmq n LYS 23 N -4.72 -0.21 -0.23 1.72 5.02 0.15 0.13 118.16 120.02 2dmq n LYS 23 Ca -0.07 1.29 0.03 0.00 -2.02 0.00 0.00 58.31 57.54 2dmq n LYS 23 Cb 0.23 -1.92 0.15 0.00 -0.02 0.00 0.00 35.03 33.47 2dmq n LYS 23 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2dmq h SER 24 N 0.00 0.26 -0.35 4.39 0.02 -1.64 -1.62 113.55 114.60 2dmq h SER 24 Ca 0.28 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2dmq h SER 24 Cb 0.49 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2dmq h SER 24 CO -0.83 0.13 0.12 0.22 -1.14 0.00 0.00 176.83 175.32 2dmq h TYR 25 N 0.43 0.56 -1.25 3.45 5.03 0.12 -2.71 116.97 122.61 2dmq h TYR 25 Ca 0.36 -0.05 0.41 0.00 2.58 0.00 0.00 58.73 62.03 2dmq h TYR 25 Cb 0.50 -0.16 -0.13 0.00 1.55 0.00 0.00 36.73 38.48 2dmq h TYR 25 CO -0.17 0.54 0.79 0.35 -1.32 0.00 0.00 178.16 178.35 2dmq h PHE 26 N 0.42 0.58 0.04 -3.82 3.57 0.20 1.15 116.94 119.08 2dmq h PHE 26 Ca 0.12 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.40 2dmq h PHE 26 Cb 0.23 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.83 2dmq h PHE 26 CO 0.00 -0.19 -1.04 0.00 -2.23 0.00 0.00 178.31 174.86 2dmq h ALA 27 N 1.64 0.27 0.12 2.41 0.00 -1.39 -3.24 119.26 119.07 2dmq h ALA 27 Ca 0.79 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2dmq h ALA 27 Cb 2.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.16 2dmq h ALA 27 CO -0.44 0.84 -0.06 0.82 0.00 0.00 0.00 179.25 180.41 2dmq h ILE 28 N 0.20 1.06 -2.83 0.00 2.04 0.13 -3.43 117.51 114.68 2dmq h ILE 28 Ca -0.10 -0.86 -0.40 0.00 1.00 0.00 0.00 64.86 64.49 2dmq h ILE 28 Cb 1.70 1.59 -0.39 0.00 -0.74 0.00 0.00 36.82 38.98 2dmq h ILE 28 CO 0.18 0.20 -0.70 0.21 0.00 0.00 0.00 178.15 178.04 2dmq s ASN 29 N -5.42 1.95 0.14 1.72 2.47 0.46 -5.02 114.94 111.24 2dmq s ASN 29 Ca -0.15 -0.46 -0.14 0.00 0.42 0.00 0.00 52.86 52.54 2dmq s ASN 29 Cb 0.02 0.02 0.01 0.00 -1.45 0.00 0.00 41.25 39.85 2dmq s ASN 29 CO 0.61 -0.34 1.62 0.45 -3.72 0.00 0.00 177.10 175.71 2dmq h HIS 30 N 8.37 0.83 -3.37 0.43 3.86 -1.80 -3.35 115.15 120.13 2dmq h HIS 30 Ca -0.16 -0.12 -0.72 0.00 -1.16 0.00 0.00 60.37 58.21 2dmq h HIS 30 Cb 1.15 -0.22 -0.34 0.00 1.06 0.00 0.00 27.41 29.05 2dmq h HIS 30 CO 0.15 0.78 -0.02 -0.80 0.86 0.00 0.00 177.93 178.90 2dmq s ASN 31 N -6.19 6.19 0.98 2.45 0.02 -1.26 -4.96 114.94 112.16 2dmq s ASN 31 Ca -0.13 -3.65 -0.12 0.00 -1.02 0.00 0.00 52.86 47.94 2dmq s ASN 31 Cb 0.11 -1.96 0.18 0.00 0.02 0.00 0.00 41.25 39.60 2dmq s ASN 31 CO 0.80 -0.21 1.09 -2.16 0.02 0.00 0.00 177.10 176.64 2dmq s PRO 32 N -1.26 0.58 0.48 -0.60 0.04 -1.25 -5.08 135.00 127.91 2dmq s PRO 32 Ca 0.27 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.97 2dmq s PRO 32 Cb -0.08 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2dmq s PRO 32 CO -0.11 -2.65 0.41 -0.51 0.04 0.00 0.00 177.00 174.18 2dmq s ASP 33 N -3.43 4.83 0.14 6.66 1.11 -1.26 -4.96 116.67 119.75 2dmq s ASP 33 Ca 0.65 -0.99 -0.22 0.00 0.18 0.00 0.00 52.55 52.17 2dmq s ASP 33 Cb -0.19 -0.08 0.01 0.00 1.07 0.00 0.00 42.92 43.73 2dmq s ASP 33 CO 0.58 -0.89 1.65 0.00 1.18 0.00 0.00 175.17 177.68 2dmq h ALA 34 N 0.87 -0.08 -0.72 5.23 0.00 -1.99 -0.04 119.26 122.53 2dmq h ALA 34 Ca -0.39 0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.75 2dmq h ALA 34 Cb 1.28 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 2dmq h ALA 34 CO 0.57 -0.63 0.19 -0.22 0.00 0.00 0.00 179.25 179.16 2dmq h LYS 35 N -0.21 0.28 -0.52 0.00 3.11 -2.00 0.11 116.57 117.34 2dmq h LYS 35 Ca 0.12 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.86 2dmq h LYS 35 Cb 0.40 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 2dmq h LYS 35 CO -0.32 0.18 -0.03 -0.44 -2.81 0.00 0.00 179.45 176.03 2dmq h ASP 36 N 0.29 0.88 0.63 4.20 3.32 -1.72 -2.48 116.42 121.53 2dmq h ASP 36 Ca 0.41 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2dmq h ASP 36 Cb 0.68 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.00 2dmq h ASP 36 CO -0.49 0.96 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.62 2dmq h LEU 37 N 0.83 -0.71 -1.34 1.55 3.38 0.10 -1.57 115.31 117.54 2dmq h LEU 37 Ca 0.15 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.28 2dmq h LEU 37 Cb 0.53 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2dmq h LEU 37 CO 0.03 -0.46 0.57 0.07 0.09 0.00 0.00 178.44 178.74 2dmq h LYS 38 N -0.92 0.60 -0.52 1.13 2.10 -1.06 -0.09 116.57 117.81 2dmq h LYS 38 Ca -0.09 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.46 2dmq h LYS 38 Cb 0.67 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 2dmq h LYS 38 CO 0.14 0.40 0.07 1.96 -2.00 0.00 0.00 179.45 180.02 2dmq h GLN 39 N 0.62 0.87 -0.21 0.07 4.20 -1.18 -3.13 115.11 116.35 2dmq h GLN 39 Ca 0.45 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2dmq h GLN 39 Cb 0.82 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2dmq h GLN 39 CO -0.20 0.87 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.70 2dmq h LEU 40 N 0.75 0.42 -1.17 1.46 3.38 -0.09 -2.82 115.31 117.24 2dmq h LEU 40 Ca 0.16 -0.37 0.25 0.00 0.09 0.00 0.00 57.88 58.01 2dmq h LEU 40 Cb 0.43 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2dmq h LEU 40 CO 0.01 0.69 1.07 0.00 0.09 0.00 0.00 178.44 180.30 2dmq h ALA 41 N 0.74 2.77 0.05 1.53 0.00 -1.03 0.54 119.26 123.86 2dmq h ALA 41 Ca 0.05 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 2dmq h ALA 41 Cb 0.51 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2dmq h ALA 41 CO 0.02 -1.52 -1.74 1.04 0.00 0.00 0.00 179.25 177.05 2dmq n GLN 42 N -3.28 0.65 0.24 0.00 1.13 -1.08 -0.29 117.38 114.74 2dmq n GLN 42 Ca 0.19 0.40 0.08 0.00 -1.94 0.00 0.00 57.00 55.73 2dmq n GLN 42 Cb 1.34 -1.69 0.62 0.00 0.11 0.00 0.00 30.24 30.62 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 -0.54 0.05 0.00 -1.09 1.57 0.12 -3.08 116.57 113.59 2dmq h LYS 43 Ca -0.43 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.11 2dmq h LYS 43 Cb 1.65 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.90 2dmq h LYS 43 CO -0.11 0.04 -1.91 0.25 -0.57 0.00 0.00 179.45 177.14 2dmq n THR 44 N -4.53 0.92 0.00 -0.16 -2.24 0.48 -4.80 114.28 103.94 2dmq n THR 44 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2dmq n THR 44 Cb 0.09 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 2.34 2.50 3.72 3.38 0.00 0.60 -4.80 105.19 112.92 2dmq n GLY 45 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 1.85 0.51 0.99 1.43 -1.13 -4.86 118.68 117.47 2dmq s LEU 46 Ca 0.00 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2dmq s LEU 46 Cb 0.00 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 2dmq s LEU 46 CO 0.00 -2.85 0.78 0.28 0.23 0.00 0.00 176.35 174.79 2dmq s THR 47 N -3.06 4.06 0.17 5.49 -1.32 -1.26 -4.29 115.64 115.43 2dmq s THR 47 Ca 0.64 -0.17 -0.21 0.00 -1.21 0.00 0.00 61.69 60.74 2dmq s THR 47 Cb -0.17 -3.55 0.08 0.00 -1.51 0.00 0.00 72.50 67.35 2dmq s THR 47 CO 0.56 -0.48 1.62 0.50 -2.21 0.00 0.00 174.62 174.61 2dmq h LYS 48 N 0.15 -0.18 0.00 7.08 3.64 -1.95 -1.98 116.57 123.33 2dmq h LYS 48 Ca -0.46 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2dmq h LYS 48 Cb 1.24 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2dmq h LYS 48 CO 0.60 -0.12 0.00 -2.13 -2.27 0.00 0.00 179.45 175.53 2dmq n ARG 49 N -5.39 0.00 -0.34 1.90 3.00 -1.26 0.01 116.66 114.57 2dmq n ARG 49 Ca 0.01 0.79 0.15 0.00 -0.00 0.00 0.00 57.85 58.81 2dmq n ARG 49 Cb 0.30 -1.48 0.30 0.00 0.00 0.00 0.00 32.46 31.59 2dmq n ARG 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2dmq h VAL 50 N 0.00 0.00 -0.46 5.15 2.07 -1.92 0.79 116.25 121.88 2dmq h VAL 50 Ca 0.00 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2dmq h VAL 50 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2dmq h VAL 50 CO 0.00 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.74 2dmq h LEU 51 N 0.00 0.60 0.08 2.57 3.38 -0.52 -1.80 115.31 119.63 2dmq h LEU 51 Ca 0.61 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.47 2dmq h LEU 51 Cb 1.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2dmq h LEU 51 CO -0.93 0.56 -0.19 1.56 0.09 0.00 0.00 178.44 179.52 2dmq h GLN 52 N 0.60 -0.34 0.50 1.13 4.20 0.44 -2.18 115.11 119.45 2dmq h GLN 52 Ca 0.16 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2dmq h GLN 52 Cb 0.12 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2dmq h GLN 52 CO -0.02 -0.23 -0.38 0.28 -0.67 0.00 0.00 178.83 177.81 2dmq h VAL 53 N -0.35 0.00 -0.59 -0.54 2.07 -1.11 -2.04 116.25 113.69 2dmq h VAL 53 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2dmq h VAL 53 Cb 0.38 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 2dmq h VAL 53 CO -0.12 0.00 -0.35 1.87 0.02 0.00 0.00 177.57 178.99 2dmq n TRP 54 N -4.75 -0.26 -0.31 1.57 -0.00 -0.69 0.50 117.44 113.52 2dmq n TRP 54 Ca -0.10 0.73 0.14 0.00 -0.00 0.00 0.00 57.50 58.27 2dmq n TRP 54 Cb 0.37 -0.54 0.32 0.00 -0.00 0.00 0.00 31.31 31.46 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 0.59 -0.57 5.87 -1.00 -1.36 0.39 116.94 120.86 2dmq h PHE 55 Ca 0.09 0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.84 2dmq h PHE 55 Cb 0.24 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 2dmq h PHE 55 CO -0.95 -0.11 0.04 1.96 -1.61 0.00 0.00 178.31 177.64 2dmq h GLN 56 N 0.34 0.96 -0.47 1.51 4.20 0.82 -2.79 115.11 119.67 2dmq h GLN 56 Ca 0.57 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 2dmq h GLN 56 Cb 1.14 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2dmq h GLN 56 CO -0.57 0.92 -0.01 -0.91 -0.67 0.00 0.00 178.83 177.59 2dmq h ASN 57 N 0.89 0.76 0.34 1.46 2.35 0.34 -3.16 115.58 118.56 2dmq h ASN 57 Ca 0.17 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dmq h ASN 57 Cb 0.47 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2dmq h ASN 57 CO 0.02 0.83 -0.41 0.00 -1.65 0.00 0.00 177.43 176.22 2dmq h ALA 58 N 1.25 -0.86 -0.98 -0.83 0.00 -0.83 -1.45 119.26 115.56 2dmq h ALA 58 Ca 0.14 -0.13 0.33 0.00 0.00 0.00 0.00 54.91 55.25 2dmq h ALA 58 Cb 0.46 0.61 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 2dmq h ALA 58 CO 0.02 -1.03 0.40 0.00 0.00 0.00 0.00 179.25 178.64 2dmq h ARG 59 N -0.79 0.13 -0.31 0.00 3.08 -1.51 0.66 114.38 115.63 2dmq h ARG 59 Ca -0.02 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2dmq h ARG 59 Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2dmq h ARG 59 CO -0.10 0.08 -0.15 0.00 -1.07 0.00 0.00 179.97 178.73 2dmq h ALA 60 N 1.92 0.44 0.74 0.04 0.00 -1.43 -2.79 119.26 118.18 2dmq h ALA 60 Ca 0.72 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2dmq h ALA 60 Cb 1.69 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.38 2dmq h ALA 60 CO -0.73 0.34 -0.36 -0.22 0.00 0.00 0.00 179.25 178.28 2dmq h LYS 61 N 0.42 -0.96 -0.69 0.00 3.64 0.12 -0.64 116.57 118.45 2dmq h LYS 61 Ca 0.07 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.64 2dmq h LYS 61 Cb 0.67 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.59 2dmq h LYS 61 CO 0.05 -0.62 -0.33 0.35 -2.27 0.00 0.00 179.45 176.62 2dmq h PHE 62 N -1.15 -0.91 -0.14 1.91 3.04 -0.81 0.01 116.94 118.88 2dmq h PHE 62 Ca -0.10 0.08 0.01 0.00 3.98 0.00 0.00 57.97 61.94 2dmq h PHE 62 Cb 0.79 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 2dmq h PHE 62 CO -0.00 -0.38 0.06 0.00 -2.02 0.00 0.00 178.31 175.97 2dmq h ARG 63 N -0.11 0.14 -0.81 1.11 3.08 -1.48 -2.61 114.38 113.69 2dmq h ARG 63 Ca 0.27 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.51 2dmq h ARG 63 Cb 0.56 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 2dmq h ARG 63 CO -0.75 0.09 0.14 -0.09 -1.07 0.00 0.00 179.97 178.29 2dmq h ARG 64 N 0.14 0.18 0.07 0.04 2.43 0.60 -0.42 114.38 117.42 2dmq h ARG 64 Ca 0.06 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2dmq h ARG 64 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2dmq h ARG 64 CO -0.04 0.12 -0.21 -0.97 -1.51 0.00 0.00 179.97 177.35 2dmq h ASN 65 N 0.18 -0.60 -0.55 -3.80 -1.24 -0.89 -0.45 115.58 108.22 2dmq h ASN 65 Ca 0.47 0.08 0.11 0.00 0.71 0.00 0.00 56.30 57.67 2dmq h ASN 65 Cb 0.88 0.24 -0.10 0.00 0.73 0.00 0.00 38.32 40.07 2dmq h ASN 65 CO -0.63 -0.29 -0.05 -0.07 -1.29 0.00 0.00 177.43 175.10 2dmq h LEU 66 N -0.38 -0.34 -1.21 0.34 4.07 -0.97 0.62 115.31 117.44 2dmq h LEU 66 Ca 0.04 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 2dmq h LEU 66 Cb 0.42 0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 2dmq h LEU 66 CO -0.14 -0.13 0.28 -0.07 -1.08 0.00 0.00 178.44 177.30 2dmq h LEU 67 N 0.07 0.74-10.07 1.67 3.38 -0.96 -3.37 115.31 106.77 2dmq h LEU 67 Ca 0.28 -0.07 -0.46 0.00 0.09 0.00 0.00 57.88 57.71 2dmq h LEU 67 Cb 0.43 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.01 2dmq h LEU 67 CO -0.50 0.63 0.38 -0.60 0.09 0.00 0.00 178.44 178.43 2dmq s ARG 68 N -5.47 3.88 -1.45 1.13 3.52 0.21 -3.73 118.95 117.04 2dmq s ARG 68 Ca -0.10 1.30 -0.04 0.00 -0.13 0.00 0.00 55.73 56.76 2dmq s ARG 68 Cb 0.17 -2.11 0.04 0.00 -1.56 0.00 0.00 34.95 31.49 2dmq s ARG 68 CO 0.78 -0.36 0.11 0.00 -0.81 0.00 0.00 175.30 175.02 2dmq n GLN 69 N -0.93 -0.90 -1.63 5.12 10.64 -1.26 -4.65 117.38 123.77 2dmq n GLN 69 Ca 0.09 0.09 -0.63 0.00 -1.83 0.00 0.00 57.00 54.71 2dmq n GLN 69 Cb 0.53 -3.41 -0.09 0.00 -0.86 0.00 0.00 30.24 26.41 2dmq n GLN 69 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2dmq n GLU 70 N -4.10 0.01 -2.29 2.61 1.02 -1.24 -4.90 120.64 111.74 2dmq n GLU 70 Ca -0.21 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.62 2dmq n GLU 70 Cb 0.58 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 2dmq n GLU 70 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2dmq s ASN 71 N 1.52 6.45 0.00 1.62 3.84 -1.26 -4.97 114.94 122.14 2dmq s ASN 71 Ca 0.98 1.42 0.00 0.00 0.21 0.00 0.00 52.86 55.47 2dmq s ASN 71 Cb -1.38 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 36.86 2dmq s ASN 71 CO 0.69 -0.66 0.00 0.61 -2.79 0.00 0.00 177.10 174.96 2dmq n GLY 72 N -1.99 -1.21 0.19 1.21 0.00 -1.26 -5.01 105.19 97.11 2dmq n GLY 72 Ca 0.05 0.58 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.27 3.65 -0.02 0.00 -1.26 -4.14 105.19 101.15 2dmq n GLY 73 Ca 0.00 0.75 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.39 3.17 0.83 1.61 1.01 -1.26 -4.98 120.40 116.39 2dmq s VAL 74 Ca -0.06 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 2dmq s VAL 74 Cb 0.05 -3.15 0.14 0.00 0.00 0.00 0.00 36.38 33.43 2dmq s VAL 74 CO 0.29 -0.04 1.16 -0.55 0.00 0.00 0.00 175.10 175.96 2dmq s SER 75 N 4.76 3.90 0.00 3.32 0.15 -1.26 -5.04 113.70 119.53 2dmq s SER 75 Ca 0.86 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2dmq s SER 75 Cb -0.38 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 2dmq s SER 75 CO 0.38 -2.20 0.00 0.61 1.20 0.00 0.00 173.24 173.22 2dmq n GLY 76 N -3.30 2.61 0.17 9.45 0.00 -1.26 -5.01 105.19 107.86 2dmq n GLY 76 Ca 0.13 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -3.54 1.61 0.13 -2.07 -3.37 132.00 124.76 2dmq h PRO 77 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 2dmq h PRO 77 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 2dmq h PRO 77 CO 0.00 0.45 -0.25 -1.12 -0.23 0.00 0.00 178.00 176.85 2dmq s SER 78 N -6.81 5.58 0.27 1.44 0.01 -1.26 -5.07 113.70 107.86 2dmq s SER 78 Ca -0.02 -3.03 -0.27 0.00 1.31 0.00 0.00 55.95 53.94 2dmq s SER 78 Cb 0.13 -1.91 -0.15 0.00 0.21 0.00 0.00 66.02 64.30 2dmq s SER 78 CO 0.73 -0.35 0.65 -1.20 0.41 0.00 0.00 173.24 173.48 2dmq n SER 79 N 3.28 -0.50 0.00 2.44 7.64 -1.26 -5.19 113.62 120.03 2dmq n SER 79 Ca 0.12 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2dmq n SER 79 Cb 0.39 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2dmq n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64