#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 6.56 -4.55 1.61 2.88 -1.26 -4.97 113.62 113.89 2dmq n SER 2 Ca 0.00 -3.78 -0.40 0.00 -1.33 0.00 0.00 58.87 53.37 2dmq n SER 2 Cb 0.00 -0.75 -0.03 0.00 -0.75 0.00 0.00 64.21 62.68 2dmq n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmq s SER 3 N -2.44 5.76 -0.27 -3.46 0.15 -1.26 -4.92 113.70 107.27 2dmq s SER 3 Ca 0.57 -0.12 -0.09 0.00 0.70 0.00 0.00 55.95 57.00 2dmq s SER 3 Cb 0.46 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 62.34 2dmq s SER 3 CO -0.07 -2.08 0.59 -0.83 1.20 0.00 0.00 173.24 172.05 2dmq s GLY 4 N 5.73 -0.62 1.00 9.45 0.00 -1.26 -5.16 107.32 116.46 2dmq s GLY 4 Ca 0.50 2.12 -0.15 0.00 0.00 0.00 0.00 44.72 47.19 2dmq s GLY 4 CO 0.17 2.84 0.09 -1.14 0.00 0.00 0.00 173.10 175.07 2dmq n SER 5 N 5.36 -2.83 -0.09 1.64 3.41 -1.26 -4.96 113.62 114.89 2dmq n SER 5 Ca -0.12 -0.29 -0.21 0.00 -0.26 0.00 0.00 58.87 57.99 2dmq n SER 5 Cb 0.50 -0.77 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 2dmq n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmq h SER 6 N -2.40 0.05 -0.79 4.04 0.02 -2.02 -3.51 113.55 108.94 2dmq h SER 6 Ca -0.30 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2dmq h SER 6 Cb 0.89 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2dmq h SER 6 CO 0.20 1.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.99 2dmq n GLY 7 N 1.50 -0.45 3.19 -3.77 0.00 -1.26 -5.02 105.19 99.39 2dmq n GLY 7 Ca -0.30 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.46 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 0.35 -0.68 1.61 1.02 -1.26 -5.10 119.74 115.68 2dmq s LYS 8 Ca 0.00 0.93 -0.27 0.00 0.02 0.00 0.00 55.97 56.65 2dmq s LYS 8 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 2dmq s LYS 8 CO 0.00 -0.37 1.60 0.50 -0.92 0.00 0.00 175.35 176.16 2dmq s ARG 9 N 2.62 2.88 -0.29 1.68 6.06 -1.26 -4.89 118.95 125.76 2dmq s ARG 9 Ca 0.03 0.20 -0.17 0.00 -2.50 0.00 0.00 55.73 53.29 2dmq s ARG 9 Cb -0.13 -4.31 0.18 0.00 0.06 0.00 0.00 34.95 30.74 2dmq s ARG 9 CO -0.14 -2.48 1.14 0.00 -2.50 0.00 0.00 175.30 171.32 2dmq s MET 10 N 6.44 0.22 0.74 5.12 0.23 -1.26 -5.17 119.30 125.63 2dmq s MET 10 Ca 0.53 0.36 -0.12 0.00 -1.03 0.00 0.00 55.69 55.42 2dmq s MET 10 Cb -0.10 0.05 0.04 0.00 -1.53 0.00 0.00 34.83 33.29 2dmq s MET 10 CO 0.18 -0.04 1.11 -0.98 -2.03 0.00 0.00 175.02 173.25 2dmq s ARG 11 N 1.04 2.34 -0.25 3.16 1.04 -1.26 -5.06 118.95 119.96 2dmq s ARG 11 Ca -0.07 1.29 -0.28 0.00 -1.04 0.00 0.00 55.73 55.64 2dmq s ARG 11 Cb -0.03 -1.90 0.16 0.00 -2.04 0.00 0.00 34.95 31.14 2dmq s ARG 11 CO -0.12 -1.60 1.20 -0.08 -0.04 0.00 0.00 175.30 174.66 2dmq s THR 12 N -2.67 0.00 1.19 4.99 -1.32 -1.26 -5.17 115.64 111.41 2dmq s THR 12 Ca 0.64 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.94 2dmq s THR 12 Cb -0.19 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.05 2dmq s THR 12 CO 0.51 0.00 0.55 -1.20 -2.21 0.00 0.00 174.62 172.27 2dmq n SER 13 N 1.10 -3.33 -3.97 8.08 7.64 -1.26 -5.05 113.62 116.82 2dmq n SER 13 Ca -0.08 -0.54 -0.24 0.00 1.01 0.00 0.00 58.87 59.02 2dmq n SER 13 Cb 0.58 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 2dmq n SER 13 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2dmq s PHE 14 N -2.11 1.77 0.09 1.43 0.08 -1.26 -5.16 117.98 112.81 2dmq s PHE 14 Ca 0.50 -1.36 0.05 0.00 0.12 0.00 0.00 56.93 56.24 2dmq s PHE 14 Cb -0.10 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2dmq s PHE 14 CO 0.45 -0.41 -0.01 0.15 -0.10 0.00 0.00 175.22 175.30 2dmq s LYS 15 N -3.66 2.52 0.00 0.44 -0.14 -1.26 -4.99 119.74 112.65 2dmq s LYS 15 Ca 0.27 -0.86 0.11 0.00 -1.36 0.00 0.00 55.97 54.13 2dmq s LYS 15 Cb 0.02 -2.52 0.51 0.00 -1.68 0.00 0.00 37.83 34.17 2dmq s LYS 15 CO 0.17 0.54 1.31 0.72 -0.76 0.00 0.00 175.35 177.32 2dmq n HIS 16 N 0.55 0.00 -0.02 3.18 8.25 -1.26 -2.39 115.22 123.53 2dmq n HIS 16 Ca -0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.34 2dmq n HIS 16 Cb 0.52 -0.40 -0.00 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 -0.79 4.41 3.86 -1.99 -3.02 115.15 117.62 2dmq h HIS 17 Ca 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2dmq h HIS 17 Cb 0.15 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.53 2dmq h HIS 17 CO 0.00 0.00 0.38 -0.56 0.86 0.00 0.00 177.93 178.61 2dmq h GLN 18 N -0.31 0.56 -0.69 2.45 3.07 -1.85 -0.49 115.11 117.85 2dmq h GLN 18 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 2dmq h GLN 18 Cb 0.08 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.49 2dmq h GLN 18 CO 0.00 0.37 0.21 -0.07 0.09 0.00 0.00 178.83 179.43 2dmq h LEU 19 N 0.58 0.99 -1.32 0.06 3.38 -1.67 -2.61 115.31 114.71 2dmq h LEU 19 Ca 0.42 -0.18 0.32 0.00 0.09 0.00 0.00 57.88 58.52 2dmq h LEU 19 Cb 0.57 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 2dmq h LEU 19 CO -0.35 0.93 0.70 -0.09 0.09 0.00 0.00 178.44 179.72 2dmq h ARG 20 N 1.02 0.30 0.18 1.13 2.43 -0.94 0.53 114.38 119.03 2dmq h ARG 20 Ca 0.22 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 59.07 2dmq h ARG 20 Cb 0.30 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2dmq h ARG 20 CO -0.01 0.20 -1.35 1.15 -1.51 0.00 0.00 179.97 178.46 2dmq h THR 21 N 0.31 1.41 0.46 0.20 2.02 -1.44 -3.16 112.91 112.70 2dmq h THR 21 Ca 0.67 -2.92 -0.02 0.00 0.77 0.00 0.00 66.41 64.91 2dmq h THR 21 Cb 1.79 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 71.19 2dmq h THR 21 CO -0.37 0.86 -0.22 0.24 0.37 0.00 0.00 175.52 176.40 2dmq h MET 22 N 0.10 -0.60 -0.65 6.66 2.86 -0.21 -3.11 114.93 119.98 2dmq h MET 22 Ca -0.19 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.60 2dmq h MET 22 Cb 2.05 0.14 -0.12 0.00 0.06 0.00 0.00 31.60 33.73 2dmq h MET 22 CO 0.23 -0.40 -0.38 0.87 1.06 0.00 0.00 176.91 178.30 2dmq h LYS 23 N -1.03 -0.15 -1.09 1.72 1.57 -0.33 0.51 116.57 117.76 2dmq h LYS 23 Ca -0.06 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.03 2dmq h LYS 23 Cb 0.47 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 2dmq h LYS 23 CO 0.10 -0.10 0.69 1.03 -0.57 0.00 0.00 179.45 180.61 2dmq h SER 24 N -0.16 0.43 -0.04 0.86 0.87 -1.64 0.23 113.55 114.10 2dmq h SER 24 Ca 0.23 0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 60.69 2dmq h SER 24 Cb 0.56 0.05 0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2dmq h SER 24 CO -0.73 0.01 -0.82 0.22 -0.53 0.00 0.00 176.83 174.97 2dmq h TYR 25 N 0.33 0.89 -1.38 2.24 5.03 0.00 -3.19 116.97 120.90 2dmq h TYR 25 Ca 0.66 -0.46 0.40 0.00 2.58 0.00 0.00 58.73 61.91 2dmq h TYR 25 Cb 1.73 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 39.84 2dmq h TYR 25 CO -0.00 1.29 1.03 0.35 -1.32 0.00 0.00 178.16 179.50 2dmq h PHE 26 N 0.25 0.00 0.07 -3.82 3.57 0.13 1.23 116.94 118.36 2dmq h PHE 26 Ca -0.09 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.16 2dmq h PHE 26 Cb 1.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2dmq h PHE 26 CO 0.11 0.00 -1.18 0.00 -2.23 0.00 0.00 178.31 175.02 2dmq h ALA 27 N 1.24 0.23 0.05 2.41 0.00 -1.51 -3.36 119.26 118.33 2dmq h ALA 27 Ca 0.66 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dmq h ALA 27 Cb 2.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.47 2dmq h ALA 27 CO -0.01 1.12 -0.02 0.82 0.00 0.00 0.00 179.25 181.15 2dmq h ILE 28 N 0.04 1.28 -3.64 0.00 2.04 0.13 -3.46 117.51 113.90 2dmq h ILE 28 Ca -0.09 -1.54 -0.22 0.00 1.00 0.00 0.00 64.86 64.00 2dmq h ILE 28 Cb 1.89 2.23 -0.28 0.00 -0.74 0.00 0.00 36.82 39.93 2dmq h ILE 28 CO 0.17 0.36 -0.68 0.21 0.00 0.00 0.00 178.15 178.21 2dmq s ASN 29 N -5.79 -0.04 -0.18 1.72 2.47 0.14 -5.06 114.94 108.21 2dmq s ASN 29 Ca -0.15 0.07 -0.17 0.00 0.42 0.00 0.00 52.86 53.03 2dmq s ASN 29 Cb -0.00 0.07 -0.22 0.00 -1.45 0.00 0.00 41.25 39.65 2dmq s ASN 29 CO 0.58 -0.02 0.28 0.45 -3.72 0.00 0.00 177.10 174.67 2dmq h HIS 30 N 6.12 0.16 -3.44 0.43 3.86 -1.84 -3.36 115.15 117.08 2dmq h HIS 30 Ca -0.25 -0.12 -0.73 0.00 -1.16 0.00 0.00 60.37 58.11 2dmq h HIS 30 Cb 1.21 -0.01 -0.33 0.00 1.06 0.00 0.00 27.41 29.34 2dmq h HIS 30 CO 0.41 1.58 0.01 -0.80 0.86 0.00 0.00 177.93 179.99 2dmq s ASN 31 N -6.92 6.27 0.87 2.45 0.01 -1.26 -4.95 114.94 111.41 2dmq s ASN 31 Ca -0.27 -3.52 -0.11 0.00 -0.71 0.00 0.00 52.86 48.25 2dmq s ASN 31 Cb 0.06 -1.99 0.11 0.00 0.41 0.00 0.00 41.25 39.84 2dmq s ASN 31 CO 0.65 -0.26 1.09 -2.16 -1.51 0.00 0.00 177.10 174.92 2dmq s PRO 32 N -1.07 1.49 0.33 -0.60 0.04 -1.26 -5.07 135.00 128.86 2dmq s PRO 32 Ca 0.26 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.27 2dmq s PRO 32 Cb -0.10 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2dmq s PRO 32 CO -0.10 -2.10 0.32 0.34 0.04 0.00 0.00 177.00 175.50 2dmq s ASP 33 N -3.42 5.40 0.34 6.66 2.15 -1.26 -4.94 116.67 121.60 2dmq s ASP 33 Ca 0.63 -0.44 0.15 0.00 0.43 0.00 0.00 52.55 53.32 2dmq s ASP 33 Cb -0.18 -1.03 1.12 0.00 -0.30 0.00 0.00 42.92 42.54 2dmq s ASP 33 CO 0.57 -0.35 1.64 0.00 -0.17 0.00 0.00 175.17 176.85 2dmq h ALA 34 N 1.20 1.94 -0.23 3.66 0.00 -1.98 0.37 119.26 124.22 2dmq h ALA 34 Ca -0.45 0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dmq h ALA 34 Cb 1.25 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2dmq h ALA 34 CO 0.58 -0.67 0.02 -0.22 0.00 0.00 0.00 179.25 178.95 2dmq h LYS 35 N 0.22 0.09 -0.24 0.00 3.11 -1.99 0.18 116.57 117.94 2dmq h LYS 35 Ca 0.75 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.51 2dmq h LYS 35 Cb 1.78 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.97 2dmq h LYS 35 CO -0.67 0.06 -0.17 -0.44 -2.81 0.00 0.00 179.45 175.42 2dmq h ASP 36 N 0.09 0.41 0.21 4.20 3.32 -0.69 -2.20 116.42 121.77 2dmq h ASP 36 Ca 0.11 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2dmq h ASP 36 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2dmq h ASP 36 CO -0.17 0.61 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.79 2dmq h LEU 37 N 0.39 -0.24 -1.56 1.55 3.38 -0.40 -0.61 115.31 117.81 2dmq h LEU 37 Ca 0.07 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2dmq h LEU 37 Cb 0.53 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2dmq h LEU 37 CO 0.03 0.15 0.41 0.07 0.09 0.00 0.00 178.44 179.19 2dmq h LYS 38 N -0.68 0.49 -0.12 1.13 2.10 -0.63 0.11 116.57 118.97 2dmq h LYS 38 Ca -0.03 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 58.44 2dmq h LYS 38 Cb 0.48 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 31.70 2dmq h LYS 38 CO 0.05 0.33 -0.53 1.96 -2.00 0.00 0.00 179.45 179.26 2dmq h GLN 39 N 0.51 0.58 -0.59 0.07 1.08 -1.32 -3.26 115.11 112.17 2dmq h GLN 39 Ca 0.28 -0.46 -0.09 0.00 -1.45 0.00 0.00 58.65 56.93 2dmq h GLN 39 Cb 0.42 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2dmq h GLN 39 CO -0.08 1.08 0.03 -0.07 -0.95 0.00 0.00 178.83 178.84 2dmq h LEU 40 N 0.21 1.00 -1.69 1.46 3.38 -0.28 -2.49 115.31 116.90 2dmq h LEU 40 Ca -0.03 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2dmq h LEU 40 Cb 1.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2dmq h LEU 40 CO 0.11 1.05 0.57 0.00 0.09 0.00 0.00 178.44 180.26 2dmq h ALA 41 N 0.99 2.00 0.00 1.53 0.00 -0.86 0.72 119.26 123.64 2dmq h ALA 41 Ca 0.17 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 2dmq h ALA 41 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2dmq h ALA 41 CO 0.02 -0.75 -1.37 1.04 0.00 0.00 0.00 179.25 178.20 2dmq n GLN 42 N -3.31 0.56 0.31 0.00 6.02 -0.96 0.28 117.38 120.29 2dmq n GLN 42 Ca 0.06 0.55 0.19 0.00 -0.01 0.00 0.00 57.00 57.80 2dmq n GLN 42 Cb 0.71 -1.72 1.04 0.00 1.02 0.00 0.00 30.24 31.29 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 0.00 0.00 -1.09 1.57 -0.96 -3.06 116.57 112.03 2dmq h LYS 43 Ca -0.38 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 2dmq h LYS 43 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 2dmq h LYS 43 CO -0.23 0.00 -1.41 0.25 -0.57 0.00 0.00 179.45 177.49 2dmq n THR 44 N -3.28 0.41 0.00 -0.16 -2.24 0.12 -4.85 114.28 104.29 2dmq n THR 44 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dmq n THR 44 Cb 0.17 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 3.14 1.80 3.62 3.38 0.00 0.14 -4.77 105.19 112.51 2dmq n GLY 45 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 1.12 0.27 0.99 1.43 -1.11 -4.87 118.68 116.51 2dmq s LEU 46 Ca 0.00 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 2dmq s LEU 46 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2dmq s LEU 46 CO 0.00 -3.64 0.44 0.28 0.23 0.00 0.00 176.35 173.67 2dmq s THR 47 N -2.90 5.18 0.25 5.49 -1.32 -1.26 -4.41 115.64 116.67 2dmq s THR 47 Ca 0.67 -0.62 -0.07 0.00 -1.21 0.00 0.00 61.69 60.47 2dmq s THR 47 Cb -0.17 -3.83 0.30 0.00 -1.51 0.00 0.00 72.50 67.29 2dmq s THR 47 CO 0.58 -0.38 1.62 0.50 -2.21 0.00 0.00 174.62 174.73 2dmq h LYS 48 N 1.21 0.07 0.38 7.08 3.64 -1.96 -1.04 116.57 125.96 2dmq h LYS 48 Ca -0.50 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2dmq h LYS 48 Cb 1.22 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 2dmq h LYS 48 CO 0.63 0.05 -0.46 -0.09 -2.27 0.00 0.00 179.45 177.31 2dmq h ARG 49 N 0.08 -0.85 -0.35 1.90 9.65 -1.99 -0.57 114.38 122.25 2dmq h ARG 49 Ca 0.42 0.06 0.07 0.00 -1.10 0.00 0.00 59.98 59.42 2dmq h ARG 49 Cb 0.74 0.19 -0.09 0.00 -1.39 0.00 0.00 29.97 29.43 2dmq h ARG 49 CO -0.71 -0.56 -0.41 0.28 2.80 0.00 0.00 179.97 181.37 2dmq h VAL 50 N -0.88 0.14 0.02 0.20 2.07 -1.63 -0.60 116.25 115.58 2dmq h VAL 50 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2dmq h VAL 50 Cb 0.79 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2dmq h VAL 50 CO -0.11 0.00 -0.47 -0.07 0.02 0.00 0.00 177.57 176.94 2dmq h LEU 51 N -0.35 -1.44 -0.36 2.57 3.38 -1.08 -0.29 115.31 117.74 2dmq h LEU 51 Ca 0.13 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.32 2dmq h LEU 51 Cb 0.58 0.55 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2dmq h LEU 51 CO -0.53 -0.50 -0.52 1.56 0.09 0.00 0.00 178.44 178.54 2dmq h GLN 52 N -0.64 -0.40 0.02 1.13 1.08 -0.54 -1.33 115.11 114.44 2dmq h GLN 52 Ca 0.03 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2dmq h GLN 52 Cb 0.70 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 2dmq h GLN 52 CO -0.33 -0.26 -0.32 0.28 -0.95 0.00 0.00 178.83 177.25 2dmq h VAL 53 N -0.41 0.00 -0.94 -0.54 2.07 -0.79 -1.02 116.25 114.63 2dmq h VAL 53 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2dmq h VAL 53 Cb 0.61 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.26 2dmq h VAL 53 CO -0.57 0.00 -0.54 1.87 0.02 0.00 0.00 177.57 178.35 2dmq n TRP 54 N -4.24 -0.39 -0.18 1.57 -0.00 -0.15 0.17 117.44 114.23 2dmq n TRP 54 Ca -0.05 1.17 -0.01 0.00 -0.00 0.00 0.00 57.50 58.62 2dmq n TRP 54 Cb 0.24 -0.59 0.07 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 -0.06 -0.96 5.87 0.04 -0.94 0.30 116.94 121.19 2dmq h PHE 55 Ca 0.16 0.04 0.03 0.00 2.80 0.00 0.00 57.97 61.01 2dmq h PHE 55 Cb 0.39 0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 2dmq h PHE 55 CO -0.96 -0.15 0.63 1.96 -0.60 0.00 0.00 178.31 179.20 2dmq h GLN 56 N 0.10 1.19 -0.36 1.51 4.20 0.11 -1.63 115.11 120.23 2dmq h GLN 56 Ca 0.28 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2dmq h GLN 56 Cb 0.43 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2dmq h GLN 56 CO -0.47 0.79 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.54 2dmq h ASN 57 N 1.22 0.54 0.58 1.46 2.35 0.14 -3.19 115.58 118.70 2dmq h ASN 57 Ca 0.38 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2dmq h ASN 57 Cb -0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2dmq h ASN 57 CO -0.11 0.63 -0.42 0.00 -1.65 0.00 0.00 177.43 175.87 2dmq h ALA 58 N 1.44 -1.17 -0.95 -0.83 0.00 -0.20 -2.61 119.26 114.93 2dmq h ALA 58 Ca 0.11 -0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.12 2dmq h ALA 58 Cb 0.38 0.58 -0.18 0.00 0.00 0.00 0.00 17.79 18.58 2dmq h ALA 58 CO 0.02 -1.16 0.12 0.54 0.00 0.00 0.00 179.25 178.76 2dmq n ARG 59 N -5.05 -0.07 0.17 0.00 5.12 -1.15 0.26 116.66 115.93 2dmq n ARG 59 Ca -0.12 1.40 -0.14 0.00 -1.93 0.00 0.00 57.85 57.06 2dmq n ARG 59 Cb 0.41 -2.28 -0.07 0.00 -1.16 0.00 0.00 32.46 29.37 2dmq n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dmq h ALA 60 N 1.90 -0.47 0.74 7.54 0.00 -1.52 -0.71 119.26 126.75 2dmq h ALA 60 Ca 0.62 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 2dmq h ALA 60 Cb 1.37 0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.49 2dmq h ALA 60 CO -0.86 -0.79 -0.36 -0.22 0.00 0.00 0.00 179.25 177.02 2dmq h LYS 61 N -0.49 -0.96 -0.85 0.00 3.64 0.14 -3.10 116.57 114.95 2dmq h LYS 61 Ca -0.01 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 2dmq h LYS 61 Cb 0.45 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.35 2dmq h LYS 61 CO -0.04 -0.64 -0.44 0.35 -2.27 0.00 0.00 179.45 176.40 2dmq h PHE 62 N -1.12 -1.31 -0.91 1.91 3.57 -0.74 0.29 116.94 118.63 2dmq h PHE 62 Ca -0.10 0.10 0.22 0.00 3.53 0.00 0.00 57.97 61.72 2dmq h PHE 62 Cb 0.77 0.69 -0.17 0.00 2.79 0.00 0.00 35.95 40.03 2dmq h PHE 62 CO 0.03 -0.40 -0.08 0.00 -2.23 0.00 0.00 178.31 175.63 2dmq h ARG 63 N -0.08 0.03 -0.29 1.11 3.08 -1.13 0.53 114.38 117.62 2dmq h ARG 63 Ca 0.25 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 2dmq h ARG 63 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2dmq h ARG 63 CO -0.87 0.02 -0.03 -0.09 -1.07 0.00 0.00 179.97 177.92 2dmq h ARG 64 N 0.03 0.54 0.00 0.04 2.43 -0.41 -0.78 114.38 116.22 2dmq h ARG 64 Ca 0.50 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2dmq h ARG 64 Cb 0.90 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2dmq h ARG 64 CO -0.88 0.71 0.00 -0.97 -1.51 0.00 0.00 179.97 177.32 2dmq h ASN 65 N 0.31 0.00 0.10 -3.80 -1.24 0.11 0.22 115.58 111.28 2dmq h ASN 65 Ca 0.08 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.76 2dmq h ASN 65 Cb 0.48 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2dmq h ASN 65 CO 0.02 0.00 -1.80 -0.11 -1.29 0.00 0.00 177.43 174.25 2dmq n LEU 66 N -2.62 2.43 0.14 0.34 7.94 0.14 -4.20 117.00 121.18 2dmq n LEU 66 Ca -0.00 0.27 0.01 0.00 -1.11 0.00 0.00 56.01 55.18 2dmq n LEU 66 Cb 0.16 -1.09 0.11 0.00 0.53 0.00 0.00 43.42 43.14 2dmq n LEU 66 CO 0.19 0.71 0.48 0.17 -1.11 0.00 0.00 177.39 177.82 2dmq h LEU 67 N -0.20 0.00 -8.61 -1.96 8.10 -0.85 -3.47 115.31 108.31 2dmq h LEU 67 Ca -0.40 0.00 -0.62 0.00 0.11 0.00 0.00 57.88 56.97 2dmq h LEU 67 Cb 1.85 0.00 0.13 0.00 -0.44 0.00 0.00 40.66 42.20 2dmq h LEU 67 CO 0.01 0.57 -0.73 -2.11 -4.11 0.00 0.00 178.44 172.07 2dmq n ARG 68 N -3.40 0.00 -1.68 0.17 1.85 0.74 -4.64 116.66 109.70 2dmq n ARG 68 Ca 0.01 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.27 2dmq n ARG 68 Cb 0.69 -0.96 -0.07 0.00 -1.05 0.00 0.00 32.46 31.07 2dmq n ARG 68 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2dmq n GLN 69 N 1.14 0.88 -4.06 2.89 6.02 -1.26 -4.94 117.38 118.05 2dmq n GLN 69 Ca 0.14 0.32 -0.31 0.00 -0.01 0.00 0.00 57.00 57.13 2dmq n GLN 69 Cb 0.32 -1.95 -0.06 0.00 1.02 0.00 0.00 30.24 29.56 2dmq n GLN 69 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dmq s GLU 70 N 2.57 3.01 -1.21 -1.09 2.56 -1.26 -5.04 118.70 118.25 2dmq s GLU 70 Ca 0.96 -0.58 -0.18 0.00 0.00 0.00 0.00 54.97 55.16 2dmq s GLU 70 Cb -1.13 -2.81 0.08 0.00 2.00 0.00 0.00 34.13 32.27 2dmq s GLU 70 CO 0.64 0.60 1.60 1.21 -0.56 0.00 0.00 175.26 178.75 2dmq s ASN 71 N -2.14 6.79 0.00 -1.70 2.47 -1.26 -4.11 114.94 114.99 2dmq s ASN 71 Ca 0.27 -2.29 0.00 0.00 0.42 0.00 0.00 52.86 51.26 2dmq s ASN 71 Cb -0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 2dmq s ASN 71 CO 0.19 -1.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.01 2dmq n GLY 72 N 5.54 0.67 3.67 1.21 0.00 -1.26 -5.10 105.19 109.91 2dmq n GLY 72 Ca 0.42 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.11 1.84 -0.04 -0.02 0.00 -1.26 -4.99 107.32 100.74 2dmq s GLY 73 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 43.96 2dmq s GLY 73 CO 0.00 -0.53 0.06 3.33 0.00 0.00 0.00 173.10 175.96 2dmq n VAL 74 N 2.26 0.25 -2.91 1.40 0.24 -1.26 -4.96 118.33 113.34 2dmq n VAL 74 Ca -0.18 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 2dmq n VAL 74 Cb 0.53 -0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 32.43 2dmq n VAL 74 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dmq s SER 75 N -3.34 6.67 -0.45 -1.34 0.15 -1.26 -4.95 113.70 109.18 2dmq s SER 75 Ca -0.03 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.31 2dmq s SER 75 Cb 0.02 -2.42 0.19 0.00 -1.71 0.00 0.00 66.02 62.11 2dmq s SER 75 CO 0.24 -0.67 0.79 -0.83 1.20 0.00 0.00 173.24 173.97 2dmq s GLY 76 N 1.67 -1.39 0.89 9.45 0.00 -1.26 -5.16 107.32 111.51 2dmq s GLY 76 Ca 0.34 0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 2dmq s GLY 76 CO 0.14 3.82 1.09 2.56 0.00 0.00 0.00 173.10 180.71 2dmq s PRO 77 N 1.23 1.30 0.13 2.90 0.04 -1.26 -5.05 135.00 134.29 2dmq s PRO 77 Ca 0.24 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.07 2dmq s PRO 77 Cb 0.01 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2dmq s PRO 77 CO -0.07 -2.22 0.37 -1.12 0.04 0.00 0.00 177.00 174.00 2dmq s SER 78 N -3.42 6.49 0.30 6.66 0.01 -1.26 -5.04 113.70 117.45 2dmq s SER 78 Ca 0.63 0.59 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 2dmq s SER 78 Cb -0.18 -2.09 -0.13 0.00 0.21 0.00 0.00 66.02 63.83 2dmq s SER 78 CO 0.57 0.07 1.28 -0.24 0.41 0.00 0.00 173.24 175.33 2dmq n SER 79 N 0.17 2.53 0.00 2.44 2.88 -1.26 -5.37 113.62 115.01 2dmq n SER 79 Ca -0.03 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2dmq n SER 79 Cb 0.52 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 2dmq n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42