#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 1.87 0.41 1.61 1.04 -1.26 -5.08 113.70 112.29 2dmq s SER 2 Ca 0.00 -1.52 0.08 0.00 0.48 0.00 0.00 55.95 54.99 2dmq s SER 2 Cb 0.00 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 2dmq s SER 2 CO 0.00 -0.82 0.50 -0.44 0.98 0.00 0.00 173.24 173.45 2dmq s SER 3 N -3.43 5.52 0.04 7.02 0.01 -1.26 -5.02 113.70 116.59 2dmq s SER 3 Ca 0.34 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.12 2dmq s SER 3 Cb 0.06 -0.72 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 2dmq s SER 3 CO 0.16 -0.68 0.02 0.61 0.41 0.00 0.00 173.24 173.76 2dmq n GLY 4 N -1.73 3.99 3.67 3.44 0.00 -1.26 -5.17 105.19 108.13 2dmq n GLY 4 Ca 0.06 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 2dmq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmq s SER 5 N -1.26 4.85 -0.03 1.61 1.04 -1.26 -5.13 113.70 113.53 2dmq s SER 5 Ca 0.03 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2dmq s SER 5 Cb 0.00 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.02 2dmq s SER 5 CO 0.02 0.11 -0.05 -0.44 0.98 0.00 0.00 173.24 173.86 2dmq s SER 6 N -2.77 4.74 0.00 7.02 0.01 -1.26 -4.95 113.70 116.49 2dmq s SER 6 Ca 0.27 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2dmq s SER 6 Cb -0.10 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2dmq s SER 6 CO 0.19 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.76 2dmq n GLY 7 N 1.82 3.74 3.16 3.44 0.00 -1.26 -5.10 105.19 111.00 2dmq n GLY 7 Ca -0.16 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.48 2.26 -0.13 1.61 0.00 -1.26 -4.98 119.74 114.77 2dmq s LYS 8 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 55.97 54.44 2dmq s LYS 8 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 37.83 34.47 2dmq s LYS 8 CO 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 175.35 174.47 2dmq h ARG 9 N 8.01 0.00 -5.74 1.78 -0.00 -2.04 -3.48 114.38 112.91 2dmq h ARG 9 Ca -0.18 0.00 -0.49 0.00 -0.50 0.00 0.00 59.98 58.81 2dmq h ARG 9 Cb 1.06 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.88 2dmq h ARG 9 CO 0.59 0.02 -0.74 -1.64 0.00 0.00 0.00 179.97 178.20 2dmq s MET 10 N -1.97 1.42 -0.19 0.04 -1.94 -1.26 -5.14 119.30 110.27 2dmq s MET 10 Ca -0.09 -1.63 -0.05 0.00 -1.71 0.00 0.00 55.69 52.20 2dmq s MET 10 Cb 0.01 -1.30 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 2dmq s MET 10 CO 0.14 0.23 0.01 1.03 -0.01 0.00 0.00 175.02 176.41 2dmq s ARG 11 N -3.59 3.71 -0.06 2.03 0.52 -1.26 -5.09 118.95 115.21 2dmq s ARG 11 Ca 0.24 -0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.90 2dmq s ARG 11 Cb -0.02 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.39 2dmq s ARG 11 CO 0.09 0.12 0.20 -0.08 0.02 0.00 0.00 175.30 175.64 2dmq s THR 12 N 0.73 0.02 0.20 0.02 -1.32 -1.26 -5.16 115.64 108.87 2dmq s THR 12 Ca 0.01 -0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.24 2dmq s THR 12 Cb -0.14 -0.33 -0.07 0.00 -1.51 0.00 0.00 72.50 70.45 2dmq s THR 12 CO 0.02 -0.08 0.54 -0.44 -2.21 0.00 0.00 174.62 172.45 2dmq s SER 13 N -0.21 6.68 0.46 8.08 0.01 -1.26 -5.10 113.70 122.36 2dmq s SER 13 Ca -0.03 0.95 0.08 0.00 1.31 0.00 0.00 55.95 58.25 2dmq s SER 13 Cb -0.03 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.98 2dmq s SER 13 CO 0.01 -0.01 0.50 -0.36 0.41 0.00 0.00 173.24 173.79 2dmq s PHE 14 N -1.70 2.39 0.72 2.43 0.08 -1.26 -5.14 117.98 115.50 2dmq s PHE 14 Ca 0.44 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.95 2dmq s PHE 14 Cb -0.12 -2.20 0.14 0.00 -0.57 0.00 0.00 43.02 40.27 2dmq s PHE 14 CO 0.20 -0.41 0.98 1.63 -0.10 0.00 0.00 175.22 177.52 2dmq n LYS 15 N -1.77 -0.05 -0.06 0.44 4.76 -1.26 -5.04 118.16 115.18 2dmq n LYS 15 Ca 0.06 -2.75 -0.22 0.00 -2.87 0.00 0.00 58.31 52.53 2dmq n LYS 15 Cb 0.61 -0.63 -0.12 0.00 -1.84 0.00 0.00 35.03 33.05 2dmq n LYS 15 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2dmq n HIS 16 N -2.81 1.07 0.12 2.13 8.25 -1.26 -3.45 115.22 119.27 2dmq n HIS 16 Ca 0.16 0.34 -0.09 0.00 -0.26 0.00 0.00 57.72 57.88 2dmq n HIS 16 Cb 0.59 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.53 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 -0.53 -0.73 -0.31 4.41 2.07 -1.99 0.38 115.15 118.45 2dmq h HIS 17 Ca -0.40 0.01 0.07 0.00 -2.85 0.00 0.00 60.37 57.20 2dmq h HIS 17 Cb 1.64 0.29 -0.06 0.00 2.57 0.00 0.00 27.41 31.85 2dmq h HIS 17 CO 0.08 -0.33 -0.11 -0.56 -3.07 0.00 0.00 177.93 173.94 2dmq h GLN 18 N -0.48 -0.05 -0.89 5.12 3.07 -1.89 -1.34 115.11 118.65 2dmq h GLN 18 Ca -0.02 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.83 2dmq h GLN 18 Cb 0.43 0.01 -0.08 0.00 0.08 0.00 0.00 27.48 27.92 2dmq h GLN 18 CO -0.06 -0.03 0.53 -0.07 0.09 0.00 0.00 178.83 179.28 2dmq h LEU 19 N -0.05 0.75 -1.15 0.06 3.38 -1.55 -0.82 115.31 115.95 2dmq h LEU 19 Ca 0.16 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.44 2dmq h LEU 19 Cb 0.29 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.83 2dmq h LEU 19 CO -0.35 0.41 0.63 -0.09 0.09 0.00 0.00 178.44 179.13 2dmq h ARG 20 N 0.85 0.47 -0.06 1.13 9.65 0.96 0.29 114.38 127.68 2dmq h ARG 20 Ca 0.44 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 59.07 2dmq h ARG 20 Cb 0.44 -0.11 0.02 0.00 -1.39 0.00 0.00 29.97 28.93 2dmq h ARG 20 CO -0.27 0.31 -0.85 1.15 2.80 0.00 0.00 179.97 183.11 2dmq h THR 21 N 0.48 1.30 0.43 0.20 2.02 -1.10 -2.98 112.91 113.27 2dmq h THR 21 Ca 0.64 -2.10 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 2dmq h THR 21 Cb 1.40 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2dmq h THR 21 CO -0.42 0.65 -0.21 0.24 0.37 0.00 0.00 175.52 176.15 2dmq h MET 22 N 0.35 -0.56 -0.42 6.66 2.86 -0.47 -2.74 114.93 120.60 2dmq h MET 22 Ca -0.09 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2dmq h MET 22 Cb 1.51 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 33.23 2dmq h MET 22 CO 0.17 -0.37 -0.40 0.87 1.06 0.00 0.00 176.91 178.23 2dmq h LYS 23 N -0.75 -0.18 -0.93 1.72 1.57 -0.71 0.70 116.57 117.98 2dmq h LYS 23 Ca -0.06 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 58.96 2dmq h LYS 23 Cb 0.45 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.63 2dmq h LYS 23 CO 0.10 -0.12 -0.03 0.77 -0.57 0.00 0.00 179.45 179.59 2dmq h SER 24 N -0.19 -0.53 -0.79 0.86 0.02 -1.63 0.71 113.55 112.01 2dmq h SER 24 Ca 0.07 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2dmq h SER 24 Cb 0.38 0.47 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2dmq h SER 24 CO -0.50 -0.30 0.44 0.22 -1.14 0.00 0.00 176.83 175.55 2dmq h TYR 25 N 0.03 1.07 -1.15 3.45 5.03 -0.62 -2.50 116.97 122.29 2dmq h TYR 25 Ca 0.53 -0.02 0.39 0.00 2.58 0.00 0.00 58.73 62.20 2dmq h TYR 25 Cb 1.00 -0.34 -0.14 0.00 1.55 0.00 0.00 36.73 38.79 2dmq h TYR 25 CO -0.53 0.74 0.70 0.35 -1.32 0.00 0.00 178.16 178.10 2dmq h PHE 26 N 1.09 0.71 -0.15 -3.82 3.57 0.22 1.17 116.94 119.72 2dmq h PHE 26 Ca 0.28 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.63 2dmq h PHE 26 Cb 0.01 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2dmq h PHE 26 CO -0.00 -0.22 -0.64 0.00 -2.23 0.00 0.00 178.31 175.21 2dmq h ALA 27 N 1.75 0.59 0.10 2.41 0.00 -1.37 -3.29 119.26 119.43 2dmq h ALA 27 Ca 0.78 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dmq h ALA 27 Cb 2.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2dmq h ALA 27 CO -0.53 0.71 -0.05 0.82 0.00 0.00 0.00 179.25 180.21 2dmq h ILE 28 N 0.42 1.14 -2.98 0.00 2.04 0.12 -3.45 117.51 114.80 2dmq h ILE 28 Ca -0.01 -1.08 -0.24 0.00 1.00 0.00 0.00 64.86 64.53 2dmq h ILE 28 Cb 1.21 1.81 -0.33 0.00 -0.74 0.00 0.00 36.82 38.77 2dmq h ILE 28 CO 0.12 0.25 -0.56 0.21 0.00 0.00 0.00 178.15 178.18 2dmq s ASN 29 N -5.54 0.33 -0.09 1.72 3.84 0.44 -5.05 114.94 110.59 2dmq s ASN 29 Ca -0.15 0.49 -0.27 0.00 0.21 0.00 0.00 52.86 53.14 2dmq s ASN 29 Cb 0.01 0.50 -0.23 0.00 -0.55 0.00 0.00 41.25 40.98 2dmq s ASN 29 CO 0.60 -0.22 0.99 0.45 -2.79 0.00 0.00 177.10 176.13 2dmq h HIS 30 N 8.05 -0.00 -3.41 0.43 3.86 -1.81 -3.38 115.15 118.88 2dmq h HIS 30 Ca -0.20 -0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.27 2dmq h HIS 30 Cb 1.12 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.26 2dmq h HIS 30 CO 0.39 0.75 0.06 0.54 0.86 0.00 0.00 177.93 180.53 2dmq s ASN 31 N -5.97 6.36 0.80 2.45 2.20 -1.26 -4.87 114.94 114.65 2dmq s ASN 31 Ca -0.17 -3.64 -0.11 0.00 -0.94 0.00 0.00 52.86 48.00 2dmq s ASN 31 Cb -0.01 -2.00 0.07 0.00 -2.00 0.00 0.00 41.25 37.32 2dmq s ASN 31 CO 0.68 -0.23 1.09 -2.16 -2.94 0.00 0.00 177.10 173.54 2dmq s PRO 32 N -1.25 2.02 0.31 3.55 0.04 -1.26 -5.07 135.00 133.35 2dmq s PRO 32 Ca 0.28 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.48 2dmq s PRO 32 Cb -0.09 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2dmq s PRO 32 CO -0.11 -1.78 0.32 -0.51 0.04 0.00 0.00 177.00 174.95 2dmq s ASP 33 N -3.40 5.55 0.24 6.66 1.01 -1.26 -4.87 116.67 120.60 2dmq s ASP 33 Ca 0.62 -0.35 -0.02 0.00 0.71 0.00 0.00 52.55 53.51 2dmq s ASP 33 Cb -0.17 -1.17 0.52 0.00 1.01 0.00 0.00 42.92 43.10 2dmq s ASP 33 CO 0.56 -0.29 1.28 0.00 0.21 0.00 0.00 175.17 176.93 2dmq n ALA 34 N -1.39 0.32 -0.23 5.23 0.00 -1.26 0.17 120.51 123.35 2dmq n ALA 34 Ca -0.03 0.89 0.03 0.00 0.00 0.00 0.00 53.44 54.32 2dmq n ALA 34 Cb 0.59 -0.60 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.39 -0.02 0.00 3.11 -2.00 0.13 116.57 118.18 2dmq h LYS 35 Ca 0.45 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 58.11 2dmq h LYS 35 Cb 0.84 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.96 2dmq h LYS 35 CO -0.80 0.26 -0.69 -0.44 -2.81 0.00 0.00 179.45 174.96 2dmq h ASP 36 N 0.40 0.14 0.50 4.20 3.32 0.14 -3.12 116.42 121.99 2dmq h ASP 36 Ca 0.36 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2dmq h ASP 36 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2dmq h ASP 36 CO -0.37 0.79 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.63 2dmq h LEU 37 N 0.08 -0.56 -1.99 1.55 3.38 0.93 -1.96 115.31 116.72 2dmq h LEU 37 Ca -0.01 -0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.09 2dmq h LEU 37 Cb 1.23 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2dmq h LEU 37 CO 0.10 -0.22 0.53 0.07 0.09 0.00 0.00 178.44 179.01 2dmq h LYS 38 N -0.95 0.00 0.00 1.13 2.10 -0.90 0.12 116.57 118.07 2dmq h LYS 38 Ca -0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2dmq h LYS 38 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2dmq h LYS 38 CO 0.11 0.00 -0.00 1.96 -2.00 0.00 0.00 179.45 179.52 2dmq h GLN 39 N 0.00 -0.00 -0.59 0.07 1.08 -1.45 -3.19 115.11 111.02 2dmq h GLN 39 Ca 0.34 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.48 2dmq h GLN 39 Cb 1.40 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.81 2dmq h GLN 39 CO -0.00 0.61 0.12 -0.07 -0.95 0.00 0.00 178.83 178.54 2dmq h LEU 40 N -0.62 0.89 -1.05 1.46 3.38 -0.41 -1.34 115.31 117.61 2dmq h LEU 40 Ca -0.00 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 57.96 2dmq h LEU 40 Cb 0.62 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 2dmq h LEU 40 CO 0.00 0.88 0.62 0.00 0.09 0.00 0.00 178.44 180.03 2dmq h ALA 41 N 1.23 1.67 0.00 1.53 0.00 -0.87 0.84 119.26 123.66 2dmq h ALA 41 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2dmq h ALA 41 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dmq h ALA 41 CO 0.00 0.00 -0.20 1.96 0.00 0.00 0.00 179.25 181.02 2dmq h GLN 42 N 0.81 0.00 -0.99 0.00 4.20 -1.47 1.56 115.11 119.21 2dmq h GLN 42 Ca 0.54 0.00 0.26 0.00 0.06 0.00 0.00 58.65 59.52 2dmq h GLN 42 Cb 0.79 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.51 2dmq h GLN 42 CO -0.33 0.87 0.68 0.87 -0.67 0.00 0.00 178.83 180.26 2dmq h LYS 43 N -1.00 0.21 0.00 1.46 1.57 -0.93 -2.35 116.57 115.53 2dmq h LYS 43 Ca -0.05 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 2dmq h LYS 43 Cb 0.93 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 2dmq h LYS 43 CO -0.03 0.14 -1.92 0.25 -0.57 0.00 0.00 179.45 177.32 2dmq n THR 44 N -4.42 0.92 0.00 -0.16 -2.24 0.26 -4.87 114.28 103.77 2dmq n THR 44 Ca 0.22 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2dmq n THR 44 Cb 0.93 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 2.32 2.84 3.33 3.38 0.00 0.53 -4.85 105.19 112.74 2dmq n GLY 45 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.13 -4.93 0.99 4.77 -1.04 -4.79 117.00 109.87 2dmq n LEU 46 Ca 0.00 -0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.58 2dmq n LEU 46 Cb 0.00 -1.04 0.07 0.00 -2.33 0.00 0.00 43.42 40.13 2dmq n LEU 46 CO 0.00 -3.16 0.62 0.42 -1.33 0.00 0.00 177.39 173.94 2dmq s THR 47 N -2.28 2.27 0.09 -5.08 -4.23 -1.26 -4.51 115.64 100.64 2dmq s THR 47 Ca 0.59 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.53 2dmq s THR 47 Cb -0.16 -2.98 -0.15 0.00 1.34 0.00 0.00 72.50 70.56 2dmq s THR 47 CO 0.66 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.89 2dmq h LYS 48 N -0.62 -0.56 0.23 3.99 1.63 -1.94 -2.61 116.57 116.68 2dmq h LYS 48 Ca -0.44 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.41 2dmq h LYS 48 Cb 1.31 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 33.03 2dmq h LYS 48 CO 0.58 -0.37 -0.36 -0.09 -3.45 0.00 0.00 179.45 175.76 2dmq h ARG 49 N -0.58 -0.64 -0.95 1.90 9.65 -1.99 -1.32 114.38 120.45 2dmq h ARG 49 Ca -0.03 0.04 0.18 0.00 -1.10 0.00 0.00 59.98 59.07 2dmq h ARG 49 Cb 0.49 0.14 -0.17 0.00 -1.39 0.00 0.00 29.97 29.04 2dmq h ARG 49 CO 0.02 -0.42 -0.29 0.28 2.80 0.00 0.00 179.97 182.35 2dmq h VAL 50 N -0.66 0.03 0.36 0.20 2.07 -1.93 0.87 116.25 117.19 2dmq h VAL 50 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2dmq h VAL 50 Cb 0.64 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2dmq h VAL 50 CO -0.15 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.20 2dmq h LEU 51 N -0.01 -0.41 -0.46 2.57 3.38 -1.07 -0.89 115.31 118.43 2dmq h LEU 51 Ca 0.41 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.42 2dmq h LEU 51 Cb 0.66 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 2dmq h LEU 51 CO -0.98 -0.22 -0.39 1.56 0.09 0.00 0.00 178.44 178.51 2dmq h GLN 52 N -0.57 -0.26 0.73 1.13 4.20 0.23 -0.14 115.11 120.44 2dmq h GLN 52 Ca -0.05 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2dmq h GLN 52 Cb 0.42 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2dmq h GLN 52 CO 0.08 -0.17 -0.45 0.28 -0.67 0.00 0.00 178.83 177.89 2dmq h VAL 53 N -0.27 0.09 -0.84 -0.54 2.07 -0.91 -1.41 116.25 114.43 2dmq h VAL 53 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 2dmq h VAL 53 Cb 0.57 0.09 -0.14 0.00 -1.52 0.00 0.00 31.29 30.29 2dmq h VAL 53 CO -0.60 0.00 -0.42 -0.25 0.02 0.00 0.00 177.57 176.32 2dmq h TRP 54 N -1.12 -1.23 0.51 1.57 7.01 -0.68 0.20 115.95 122.22 2dmq h TRP 54 Ca -0.10 0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2dmq h TRP 54 Cb 0.90 0.66 -0.02 0.00 -2.10 0.00 0.00 29.16 28.60 2dmq h TRP 54 CO -0.11 -0.40 -0.49 0.74 -2.79 0.00 0.00 178.44 175.40 2dmq h PHE 55 N -0.08 -1.34 -0.88 2.65 -1.00 -0.91 -2.00 116.94 113.38 2dmq h PHE 55 Ca 0.27 0.01 0.22 0.00 2.81 0.00 0.00 57.97 61.28 2dmq h PHE 55 Cb 0.56 0.52 -0.13 0.00 3.61 0.00 0.00 35.95 40.51 2dmq h PHE 55 CO -0.83 -0.66 0.33 1.96 -1.61 0.00 0.00 178.31 177.51 2dmq h GLN 56 N -1.00 0.32 -0.84 1.51 1.08 -0.09 0.27 115.11 116.35 2dmq h GLN 56 Ca -0.06 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2dmq h GLN 56 Cb 0.86 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.17 2dmq h GLN 56 CO -0.05 0.21 0.54 -0.91 -0.95 0.00 0.00 178.83 177.67 2dmq h ASN 57 N 0.33 0.88 0.15 1.46 2.35 -0.13 -3.00 115.58 117.62 2dmq h ASN 57 Ca 0.55 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.31 2dmq h ASN 57 Cb 1.08 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 2dmq h ASN 57 CO -0.57 0.60 -0.45 0.00 -1.65 0.00 0.00 177.43 175.36 2dmq h ALA 58 N 1.35 -0.96 -0.99 -0.83 0.00 0.25 -0.64 119.26 117.44 2dmq h ALA 58 Ca 0.34 -0.11 0.34 0.00 0.00 0.00 0.00 54.91 55.49 2dmq h ALA 58 Cb 0.02 0.81 -0.18 0.00 0.00 0.00 0.00 17.79 18.45 2dmq h ALA 58 CO -0.12 -1.06 0.30 0.00 0.00 0.00 0.00 179.25 178.37 2dmq h ARG 59 N -0.68 0.02 -0.17 0.00 3.08 -1.38 0.66 114.38 115.91 2dmq h ARG 59 Ca -0.01 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2dmq h ARG 59 Cb 0.67 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2dmq h ARG 59 CO -0.22 0.01 -0.04 0.00 -1.07 0.00 0.00 179.97 178.66 2dmq h ALA 60 N 1.98 0.23 -0.24 0.04 0.00 -1.28 -2.88 119.26 117.12 2dmq h ALA 60 Ca 0.73 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.41 2dmq h ALA 60 Cb 1.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2dmq h ALA 60 CO -0.83 -0.01 0.15 -0.22 0.00 0.00 0.00 179.25 178.34 2dmq h LYS 61 N 0.03 0.29 -0.40 0.00 3.64 0.16 -2.88 116.57 117.42 2dmq h LYS 61 Ca 0.04 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2dmq h LYS 61 Cb 0.47 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 2dmq h LYS 61 CO 0.02 0.19 -0.16 0.35 -2.27 0.00 0.00 179.45 177.58 2dmq h PHE 62 N 0.30 -0.38 -0.77 1.91 3.04 -0.63 -2.31 116.94 118.10 2dmq h PHE 62 Ca 0.09 0.04 0.09 0.00 3.98 0.00 0.00 57.97 62.18 2dmq h PHE 62 Cb -0.02 0.23 -0.11 0.00 2.56 0.00 0.00 35.95 38.61 2dmq h PHE 62 CO -0.07 -0.24 -0.38 0.54 -2.02 0.00 0.00 178.31 176.14 2dmq n ARG 63 N -5.35 -0.26 -0.01 1.11 1.74 -1.09 0.10 116.66 112.90 2dmq n ARG 63 Ca 0.02 1.18 -0.12 0.00 -0.77 0.00 0.00 57.85 58.16 2dmq n ARG 63 Cb 0.26 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 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 -0.46 0.00 5.56 2.43 -1.50 0.46 114.38 120.88 2dmq h ARG 64 Ca 0.20 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2dmq h ARG 64 Cb 0.39 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2dmq h ARG 64 CO -0.75 -0.30 0.12 0.09 -1.51 0.00 0.00 179.97 177.62 2dmq n ASN 65 N -5.43 0.31 0.02 -3.80 3.02 0.11 -0.62 115.26 108.87 2dmq n ASN 65 Ca -0.04 0.58 -0.18 0.00 -0.03 0.00 0.00 54.58 54.92 2dmq n ASN 65 Cb 0.36 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 2dmq n ASN 65 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2dmq h LEU 66 N 0.00 0.49 0.00 3.41 7.12 0.13 -3.33 115.31 123.13 2dmq h LEU 66 Ca 0.00 -0.82 -0.13 0.00 0.13 0.00 0.00 57.88 57.06 2dmq h LEU 66 Cb 0.25 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 2dmq h LEU 66 CO 0.00 1.26 -1.08 0.17 -0.13 0.00 0.00 178.44 178.66 2dmq h LEU 67 N -0.22 0.00 -8.99 2.25 -0.00 -0.88 -3.45 115.31 104.02 2dmq h LEU 67 Ca -0.09 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.22 2dmq h LEU 67 Cb 1.39 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 2dmq h LEU 67 CO 0.12 0.50 1.24 -0.60 -0.00 0.00 0.00 178.44 179.70 2dmq s ARG 68 N -2.98 3.56 -0.20 0.17 3.52 0.20 -4.93 118.95 118.30 2dmq s ARG 68 Ca -0.00 1.68 -0.29 0.00 -0.13 0.00 0.00 55.73 56.99 2dmq s ARG 68 Cb 0.08 -4.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.30 2dmq s ARG 68 CO 0.79 -1.58 1.65 -0.65 -0.81 0.00 0.00 175.30 174.70 2dmq s GLN 69 N 5.24 3.81 0.29 5.12 -0.21 -1.26 -4.88 119.66 127.77 2dmq s GLN 69 Ca 0.79 1.74 -0.22 0.00 0.02 0.00 0.00 55.36 57.70 2dmq s GLN 69 Cb -0.26 -4.05 -0.09 0.00 1.00 0.00 0.00 33.01 29.61 2dmq s GLN 69 CO 0.33 -1.29 0.83 -2.00 -2.12 0.00 0.00 175.29 171.04 2dmq s GLU 70 N 4.69 4.35 0.60 2.91 2.12 -1.26 -5.01 118.70 127.10 2dmq s GLU 70 Ca 0.73 1.05 -0.18 0.00 0.36 0.00 0.00 54.97 56.94 2dmq s GLU 70 Cb -0.26 -2.73 -0.10 0.00 0.26 0.00 0.00 34.13 31.30 2dmq s GLU 70 CO 0.30 0.28 0.30 0.27 -0.54 0.00 0.00 175.26 175.86 2dmq n ASN 71 N 0.41 -1.98 0.00 -1.70 6.94 -1.26 -4.85 115.26 112.82 2dmq n ASN 71 Ca 0.01 0.67 0.00 0.00 -0.02 0.00 0.00 54.58 55.24 2dmq n ASN 71 Cb 0.51 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 2dmq n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dmq n GLY 72 N 2.02 -0.20 2.67 4.83 0.00 -1.26 -5.06 105.19 108.19 2dmq n GLY 72 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.24 -1.60 3.60 -0.02 0.00 -1.26 -5.15 105.19 99.51 2dmq n GLY 73 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 46.02 46.96 2dmq n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmq s VAL 74 N 0.13 -0.03 0.57 1.61 0.11 -1.26 -5.16 120.40 116.37 2dmq s VAL 74 Ca 0.25 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 2dmq s VAL 74 Cb 0.22 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 2dmq s VAL 74 CO -0.11 0.00 1.18 -0.55 -3.33 0.00 0.00 175.10 172.29 2dmq s SER 75 N 1.31 5.40 0.00 3.54 0.15 -1.26 -4.88 113.70 117.96 2dmq s SER 75 Ca -0.08 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.88 2dmq s SER 75 Cb -0.03 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dmq s SER 75 CO -0.13 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.48 2dmq n GLY 76 N 0.37 0.81 3.67 9.45 0.00 -1.26 -5.06 105.19 113.18 2dmq n GLY 76 Ca 0.13 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.41 4.23 0.19 1.61 0.04 -1.26 -4.98 135.00 133.42 2dmq s PRO 77 Ca 0.00 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2dmq s PRO 77 Cb 0.00 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2dmq s PRO 77 CO 0.00 -0.71 0.26 -1.13 0.04 0.00 0.00 177.00 175.46 2dmq n SER 78 N 6.26 -0.73 -4.54 6.66 3.41 -1.26 -4.95 113.62 118.48 2dmq n SER 78 Ca 0.15 -2.03 -0.25 0.00 -0.26 0.00 0.00 58.87 56.48 2dmq n SER 78 Cb 0.43 1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 65.66 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 -2.18 4.01 0.00 4.04 0.15 -1.26 -5.08 113.70 113.38 2dmq s SER 79 Ca 0.16 -0.76 0.18 0.00 0.70 0.00 0.00 55.95 56.23 2dmq s SER 79 Cb -0.00 -0.56 0.14 0.00 -1.71 0.00 0.00 66.02 63.89 2dmq s SER 79 CO 0.11 0.07 1.07 0.61 1.20 0.00 0.00 173.24 176.30