#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 -0.05 0.29 1.61 0.01 -1.26 -5.18 113.70 109.11 2dmq s SER 2 Ca 0.00 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 56.67 2dmq s SER 2 Cb 0.00 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.64 2dmq s SER 2 CO 0.00 -0.81 0.46 -0.44 0.41 0.00 0.00 173.24 172.86 2dmq s SER 3 N -2.85 0.34 0.00 2.44 0.01 -1.26 -5.18 113.70 107.21 2dmq s SER 3 Ca 0.05 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2dmq s SER 3 Cb 0.03 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2dmq s SER 3 CO -0.10 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 172.96 2dmq n GLY 4 N -0.45 4.85 3.18 3.44 0.00 -1.26 -4.99 105.19 109.96 2dmq n GLY 4 Ca -0.01 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2dmq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmq n SER 5 N 0.00 -4.87 -4.33 1.61 2.88 -1.26 -4.96 113.62 102.69 2dmq n SER 5 Ca 0.00 -0.46 -0.47 0.00 -1.33 0.00 0.00 58.87 56.61 2dmq n SER 5 Cb 0.00 -4.26 -0.02 0.00 -0.75 0.00 0.00 64.21 59.18 2dmq n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmq s SER 6 N -3.45 6.77 0.00 -3.46 0.15 -1.26 -4.96 113.70 107.49 2dmq s SER 6 Ca 0.38 -2.70 0.00 0.00 0.70 0.00 0.00 55.95 54.33 2dmq s SER 6 Cb -0.17 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dmq s SER 6 CO 0.60 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dmq n GLY 7 N 3.96 -2.18 3.41 9.45 0.00 -1.26 -5.08 105.19 113.49 2dmq n GLY 7 Ca 0.14 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.43 1.25 0.34 1.61 -2.85 -1.26 -5.19 119.74 111.21 2dmq s LYS 8 Ca 0.00 -0.47 0.07 0.00 -1.00 0.00 0.00 55.97 54.57 2dmq s LYS 8 Cb 0.00 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.32 2dmq s LYS 8 CO 0.00 -0.54 0.27 1.03 0.10 0.00 0.00 175.35 176.21 2dmq s ARG 9 N -3.66 1.79 0.37 1.78 1.81 -1.26 -5.16 118.95 114.62 2dmq s ARG 9 Ca 0.01 -2.04 -0.14 0.00 -1.72 0.00 0.00 55.73 51.84 2dmq s ARG 9 Cb -0.01 0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 34.65 2dmq s ARG 9 CO -0.12 -0.64 0.78 -1.64 -0.68 0.00 0.00 175.30 173.00 2dmq s MET 10 N -3.46 3.93 0.02 3.54 -1.94 -1.26 -5.09 119.30 115.04 2dmq s MET 10 Ca 0.39 0.64 0.07 0.00 -1.71 0.00 0.00 55.69 55.09 2dmq s MET 10 Cb 0.02 -2.38 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 2dmq s MET 10 CO 0.27 0.04 -0.21 -0.98 -0.01 0.00 0.00 175.02 174.12 2dmq s ARG 11 N -3.39 1.56 0.22 2.03 1.70 -1.26 -5.10 118.95 114.70 2dmq s ARG 11 Ca 0.54 -0.89 0.07 0.00 -0.47 0.00 0.00 55.73 54.99 2dmq s ARG 11 Cb -0.10 -1.61 -0.04 0.00 -0.57 0.00 0.00 34.95 32.63 2dmq s ARG 11 CO 0.23 0.42 0.09 -0.08 -1.08 0.00 0.00 175.30 174.88 2dmq s THR 12 N -0.68 4.01 0.86 4.99 -1.32 -1.26 -5.09 115.64 117.15 2dmq s THR 12 Ca 0.08 -1.50 -0.16 0.00 -1.21 0.00 0.00 61.69 58.90 2dmq s THR 12 Cb -0.09 -3.11 -0.10 0.00 -1.51 0.00 0.00 72.50 67.69 2dmq s THR 12 CO 0.01 -0.26 -0.28 -0.24 -2.21 0.00 0.00 174.62 171.64 2dmq n SER 13 N -0.72 -4.23 -4.14 8.08 2.88 -1.26 -5.00 113.62 109.24 2dmq n SER 13 Ca -0.08 0.35 -0.22 0.00 -1.33 0.00 0.00 58.87 57.59 2dmq n SER 13 Cb 0.57 -0.92 -0.15 0.00 -0.75 0.00 0.00 64.21 62.97 2dmq n SER 13 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2dmq s PHE 14 N -2.05 1.36 0.44 0.66 0.08 -1.26 -5.14 117.98 112.06 2dmq s PHE 14 Ca 0.50 -0.29 -0.21 0.00 0.12 0.00 0.00 56.93 57.05 2dmq s PHE 14 Cb -0.27 -0.85 -0.11 0.00 -0.57 0.00 0.00 43.02 41.22 2dmq s PHE 14 CO 0.74 0.00 0.96 0.15 -0.10 0.00 0.00 175.22 176.97 2dmq s LYS 15 N -0.63 4.18 0.54 0.44 -0.14 -1.26 -4.94 119.74 117.93 2dmq s LYS 15 Ca 0.05 1.15 0.36 0.00 -1.36 0.00 0.00 55.97 56.17 2dmq s LYS 15 Cb -0.07 -2.18 1.77 0.00 -1.68 0.00 0.00 37.83 35.68 2dmq s LYS 15 CO 0.00 -0.07 2.08 1.12 -0.76 0.00 0.00 175.35 177.72 2dmq h HIS 16 N 1.89 0.00 0.23 3.18 2.07 -2.00 -2.43 115.15 118.08 2dmq h HIS 16 Ca -0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.02 2dmq h HIS 16 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 2dmq h HIS 16 CO 0.61 0.00 -0.11 1.25 -3.07 0.00 0.00 177.93 176.62 2dmq h HIS 17 N 0.00 -0.28 -0.11 6.12 6.17 -1.99 -2.10 115.15 122.95 2dmq h HIS 17 Ca 0.00 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.10 2dmq h HIS 17 Cb 0.20 0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.19 2dmq h HIS 17 CO 0.00 -0.17 -0.09 -0.56 0.71 0.00 0.00 177.93 177.82 2dmq h GLN 18 N -0.53 -0.09 -0.99 5.26 3.07 -1.87 -2.00 115.11 117.96 2dmq h GLN 18 Ca -0.03 0.01 0.16 0.00 0.09 0.00 0.00 58.65 58.88 2dmq h GLN 18 Cb 0.23 0.02 -0.09 0.00 0.08 0.00 0.00 27.48 27.72 2dmq h GLN 18 CO 0.05 -0.06 0.62 -0.07 0.09 0.00 0.00 178.83 179.46 2dmq h LEU 19 N -0.10 0.82 -0.97 0.06 3.38 -1.57 -0.25 115.31 116.68 2dmq h LEU 19 Ca 0.07 0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.34 2dmq h LEU 19 Cb 0.20 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 2dmq h LEU 19 CO -0.17 0.36 0.54 -0.09 0.09 0.00 0.00 178.44 179.17 2dmq h ARG 20 N 0.84 0.55 0.08 1.13 9.65 -0.63 0.58 114.38 126.57 2dmq h ARG 20 Ca 0.54 -0.03 -0.26 0.00 -1.10 0.00 0.00 59.98 59.12 2dmq h ARG 20 Cb 0.74 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2dmq h ARG 20 CO -0.32 0.36 -1.13 1.15 2.80 0.00 0.00 179.97 182.84 2dmq h THR 21 N 0.56 1.39 0.33 0.20 2.02 -1.07 -3.00 112.91 113.35 2dmq h THR 21 Ca 0.61 -2.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 2dmq h THR 21 Cb 1.12 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 2dmq h THR 21 CO -0.47 0.79 -0.16 0.24 0.37 0.00 0.00 175.52 176.29 2dmq h MET 22 N 0.20 -0.42 -0.74 6.66 2.86 -0.36 -2.86 114.93 120.26 2dmq h MET 22 Ca -0.13 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 2dmq h MET 22 Cb 1.80 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 33.42 2dmq h MET 22 CO 0.20 -0.28 -0.06 0.87 1.06 0.00 0.00 176.91 178.70 2dmq h LYS 23 N -0.71 0.06 -0.53 1.72 1.57 -0.13 0.73 116.57 119.29 2dmq h LYS 23 Ca -0.04 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2dmq h LYS 23 Cb 0.34 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2dmq h LYS 23 CO 0.07 0.04 0.37 0.77 -0.57 0.00 0.00 179.45 180.13 2dmq h SER 24 N 0.06 0.13 0.04 0.86 0.02 -1.60 -1.68 113.55 111.38 2dmq h SER 24 Ca 0.39 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.19 2dmq h SER 24 Cb 0.66 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.19 2dmq h SER 24 CO -0.69 0.07 -0.63 0.22 -1.14 0.00 0.00 176.83 174.66 2dmq h TYR 25 N 0.14 0.56 -1.35 3.45 5.03 0.66 -3.23 116.97 122.23 2dmq h TYR 25 Ca 0.25 -0.33 0.39 0.00 2.58 0.00 0.00 58.73 61.62 2dmq h TYR 25 Cb 0.80 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 2dmq h TYR 25 CO -0.00 1.17 0.98 0.35 -1.32 0.00 0.00 178.16 179.34 2dmq h PHE 26 N -0.21 0.00 0.03 -3.82 3.57 -0.17 1.26 116.94 117.59 2dmq h PHE 26 Ca -0.09 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.19 2dmq h PHE 26 Cb 1.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 2dmq h PHE 26 CO 0.16 0.00 -1.01 0.00 -2.23 0.00 0.00 178.31 175.23 2dmq h ALA 27 N 1.31 0.35 0.02 2.41 0.00 -1.55 -3.35 119.26 118.45 2dmq h ALA 27 Ca 0.64 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2dmq h ALA 27 Cb 2.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.27 2dmq h ALA 27 CO -0.01 1.13 -0.11 0.82 0.00 0.00 0.00 179.25 181.08 2dmq h ILE 28 N 0.03 1.76 -3.60 0.00 2.04 0.14 -3.46 117.51 114.41 2dmq h ILE 28 Ca -0.04 -2.37 -0.29 0.00 1.00 0.00 0.00 64.86 63.16 2dmq h ILE 28 Cb 1.74 3.37 -0.32 0.00 -0.74 0.00 0.00 36.82 40.87 2dmq h ILE 28 CO 0.14 0.62 -0.73 0.21 0.00 0.00 0.00 178.15 178.39 2dmq s ASN 29 N -6.32 0.15 -0.16 1.72 3.84 0.71 -5.05 114.94 109.82 2dmq s ASN 29 Ca -0.18 0.01 -0.23 0.00 0.21 0.00 0.00 52.86 52.66 2dmq s ASN 29 Cb -0.02 -0.08 -0.23 0.00 -0.55 0.00 0.00 41.25 40.37 2dmq s ASN 29 CO 0.71 -0.07 0.48 0.45 -2.79 0.00 0.00 177.10 175.87 2dmq h HIS 30 N 6.86 0.09 -3.38 0.43 3.86 -1.83 -3.35 115.15 117.83 2dmq h HIS 30 Ca -0.38 -0.06 -0.72 0.00 -1.16 0.00 0.00 60.37 58.05 2dmq h HIS 30 Cb 1.15 -0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.28 2dmq h HIS 30 CO 0.47 1.33 -0.00 -0.80 0.86 0.00 0.00 177.93 179.79 2dmq s ASN 31 N -6.67 6.22 0.25 2.45 0.01 -1.26 -4.96 114.94 110.98 2dmq s ASN 31 Ca -0.24 -3.65 -0.30 0.00 -0.71 0.00 0.00 52.86 47.97 2dmq s ASN 31 Cb 0.02 -1.96 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 2dmq s ASN 31 CO 0.66 -0.22 1.27 -2.16 -1.51 0.00 0.00 177.10 175.15 2dmq s PRO 32 N -1.26 4.42 0.99 -0.60 0.04 -1.26 -5.03 135.00 132.30 2dmq s PRO 32 Ca 0.27 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.21 2dmq s PRO 32 Cb -0.08 -3.16 0.19 0.00 0.04 0.00 0.00 34.50 31.49 2dmq s PRO 32 CO -0.11 -0.16 1.21 -0.51 0.04 0.00 0.00 177.00 177.47 2dmq s ASP 33 N -0.07 2.80 0.10 6.66 1.01 -1.26 -4.72 116.67 121.19 2dmq s ASP 33 Ca 0.53 0.58 -0.34 0.00 0.71 0.00 0.00 52.55 54.03 2dmq s ASP 33 Cb -0.37 -0.85 -0.14 0.00 1.01 0.00 0.00 42.92 42.58 2dmq s ASP 33 CO 0.43 -2.96 1.54 0.00 0.21 0.00 0.00 175.17 174.39 2dmq h ALA 34 N -1.79 -0.99 -0.95 5.23 0.00 -1.98 0.61 119.26 119.38 2dmq h ALA 34 Ca -0.46 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 54.59 2dmq h ALA 34 Cb 1.28 0.89 -0.17 0.00 0.00 0.00 0.00 17.79 19.79 2dmq h ALA 34 CO 0.46 -1.12 0.04 -0.22 0.00 0.00 0.00 179.25 178.40 2dmq h LYS 35 N -0.74 0.03 -0.44 0.00 3.11 -1.99 0.69 116.57 117.23 2dmq h LYS 35 Ca -0.01 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2dmq h LYS 35 Cb 0.74 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 2dmq h LYS 35 CO -0.28 0.02 -0.06 -0.44 -2.81 0.00 0.00 179.45 175.88 2dmq h ASP 36 N 0.04 0.82 0.66 4.20 3.32 -1.68 -2.16 116.42 121.62 2dmq h ASP 36 Ca 0.57 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2dmq h ASP 36 Cb 1.16 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.49 2dmq h ASP 36 CO -0.87 0.97 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.23 2dmq h LEU 37 N 0.66 -0.75 -1.17 1.55 3.38 0.25 -1.51 115.31 117.73 2dmq h LEU 37 Ca 0.12 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2dmq h LEU 37 Cb 0.58 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2dmq h LEU 37 CO 0.03 -0.53 0.60 0.07 0.09 0.00 0.00 178.44 178.70 2dmq h LYS 38 N -0.89 0.81 -0.69 1.13 2.10 -0.74 -0.38 116.57 117.92 2dmq h LYS 38 Ca -0.09 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.48 2dmq h LYS 38 Cb 0.68 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.80 2dmq h LYS 38 CO 0.15 0.54 0.31 1.96 -2.00 0.00 0.00 179.45 180.40 2dmq h GLN 39 N 0.83 1.01 -0.08 0.07 4.20 -1.08 -3.07 115.11 117.00 2dmq h GLN 39 Ca 0.46 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 2dmq h GLN 39 Cb 0.59 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2dmq h GLN 39 CO -0.23 0.82 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.65 2dmq h LEU 40 N 0.97 0.16 -1.76 1.46 3.38 -0.11 -2.90 115.31 116.51 2dmq h LEU 40 Ca 0.23 -0.40 0.51 0.00 0.09 0.00 0.00 57.88 58.31 2dmq h LEU 40 Cb 0.16 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2dmq h LEU 40 CO -0.02 0.53 1.30 0.00 0.09 0.00 0.00 178.44 180.34 2dmq n ALA 41 N -2.33 1.69 -0.08 1.53 0.00 -0.29 -0.17 120.51 120.85 2dmq n ALA 41 Ca -0.07 0.58 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 2dmq n ALA 41 Cb 0.25 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 2dmq n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dmq h GLN 42 N 0.00 0.00 0.00 0.00 4.20 -1.57 1.33 115.11 119.07 2dmq h GLN 42 Ca 0.84 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.55 2dmq h GLN 42 Cb 3.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 31.22 2dmq h GLN 42 CO -0.01 0.46 0.37 0.87 -0.67 0.00 0.00 178.83 179.86 2dmq h LYS 43 N -1.00 0.00 0.00 1.46 1.57 -0.36 -2.51 116.57 115.73 2dmq h LYS 43 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2dmq h LYS 43 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2dmq h LYS 43 CO -0.08 0.00 -0.80 0.25 -0.57 0.00 0.00 179.45 178.25 2dmq n THR 44 N -2.38 0.00 0.00 -0.16 -2.24 0.07 -4.84 114.28 104.73 2dmq n THR 44 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2dmq n THR 44 Cb 0.40 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 2.93 2.83 3.30 3.38 0.00 0.45 -4.88 105.19 113.20 2dmq n GLY 45 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.73 -4.90 0.99 4.77 -1.08 -4.81 117.00 110.23 2dmq n LEU 46 Ca 0.00 -0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 55.36 2dmq n LEU 46 Cb 0.00 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.00 2dmq n LEU 46 CO 0.00 -3.50 -0.15 0.28 -1.33 0.00 0.00 177.39 172.70 2dmq s THR 47 N -2.25 5.19 0.31 -5.08 -1.32 -1.26 -4.44 115.64 106.79 2dmq s THR 47 Ca 0.61 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 2dmq s THR 47 Cb -0.16 -3.59 0.40 0.00 -1.51 0.00 0.00 72.50 67.63 2dmq s THR 47 CO 0.61 0.03 1.51 1.17 -2.21 0.00 0.00 174.62 175.73 2dmq n LYS 48 N -0.06 -0.07 0.15 7.08 4.81 -1.26 -1.19 118.16 127.61 2dmq n LYS 48 Ca -0.06 1.43 -0.06 0.00 -0.87 0.00 0.00 58.31 58.74 2dmq n LYS 48 Cb 0.52 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 33.24 2dmq n LYS 48 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2dmq h ARG 49 N 0.00 -0.38 -0.99 1.64 9.65 -1.99 -0.45 114.38 121.85 2dmq h ARG 49 Ca 0.62 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.66 2dmq h ARG 49 Cb 1.33 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.85 2dmq h ARG 49 CO -0.89 -0.26 -0.45 0.28 2.80 0.00 0.00 179.97 181.46 2dmq h VAL 50 N -0.40 0.00 0.03 0.20 2.07 -1.55 0.11 116.25 116.71 2dmq h VAL 50 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2dmq h VAL 50 Cb 0.32 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2dmq h VAL 50 CO 0.04 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 177.27 2dmq h LEU 51 N -0.00 -0.86 -0.50 2.57 3.38 -1.26 0.06 115.31 118.69 2dmq h LEU 51 Ca 0.29 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.47 2dmq h LEU 51 Cb 0.54 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2dmq h LEU 51 CO -0.97 -0.36 -0.24 1.56 0.09 0.00 0.00 178.44 178.52 2dmq h GLN 52 N -0.45 -0.12 0.51 1.13 1.08 0.87 -0.71 115.11 117.41 2dmq h GLN 52 Ca 0.05 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2dmq h GLN 52 Cb 0.53 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dmq h GLN 52 CO -0.23 -0.08 -0.27 0.28 -0.95 0.00 0.00 178.83 177.58 2dmq h VAL 53 N -0.12 0.00 -0.95 -0.54 2.07 -0.58 -1.01 116.25 115.11 2dmq h VAL 53 Ca 0.23 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.89 2dmq h VAL 53 Cb 0.48 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.11 2dmq h VAL 53 CO -0.58 0.00 -0.41 1.87 0.02 0.00 0.00 177.57 178.47 2dmq n TRP 54 N -4.04 -0.07 -0.08 1.57 -0.00 -0.03 0.17 117.44 114.95 2dmq n TRP 54 Ca -0.09 1.18 -0.07 0.00 -0.00 0.00 0.00 57.50 58.52 2dmq n TRP 54 Cb 0.29 -0.80 0.00 0.00 -0.00 0.00 0.00 31.31 30.81 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 -0.79 5.87 -1.00 -1.08 -1.40 116.94 118.59 2dmq h PHE 55 Ca 0.29 0.02 0.09 0.00 2.81 0.00 0.00 57.97 61.18 2dmq h PHE 55 Cb 0.53 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.06 2dmq h PHE 55 CO -0.87 -0.01 0.52 1.96 -1.61 0.00 0.00 178.31 178.30 2dmq h GLN 56 N 0.14 0.74 0.00 1.51 4.20 0.11 0.05 115.11 121.86 2dmq h GLN 56 Ca 0.14 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2dmq h GLN 56 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2dmq h GLN 56 CO -0.21 0.49 -0.42 -0.91 -0.67 0.00 0.00 178.83 177.12 2dmq h ASN 57 N 0.77 0.00 -0.04 1.46 2.35 0.31 -3.13 115.58 117.29 2dmq h ASN 57 Ca 0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2dmq h ASN 57 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2dmq h ASN 57 CO -0.14 0.42 -0.00 0.00 -1.65 0.00 0.00 177.43 176.06 2dmq h ALA 58 N 1.58 0.05 -0.05 -0.83 0.00 -0.19 -2.65 119.26 117.17 2dmq h ALA 58 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dmq h ALA 58 Cb 0.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dmq h ALA 58 CO 0.05 -0.28 0.52 0.00 0.00 0.00 0.00 179.25 179.55 2dmq h ARG 59 N -0.24 0.00 0.02 0.00 3.08 -1.43 0.55 114.38 116.36 2dmq h ARG 59 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2dmq h ARG 59 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2dmq h ARG 59 CO 0.00 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.89 2dmq h ALA 60 N 1.00 -0.03 -0.27 0.04 0.00 -1.55 -3.29 119.26 115.16 2dmq h ALA 60 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2dmq h ALA 60 Cb 1.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2dmq h ALA 60 CO -0.00 -0.04 -0.01 1.57 0.00 0.00 0.00 179.25 180.78 2dmq h LYS 61 N -0.99 0.41 -0.10 0.00 2.10 -1.05 -3.01 116.57 113.94 2dmq h LYS 61 Ca -0.00 -0.08 0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2dmq h LYS 61 Cb 0.50 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.71 2dmq h LYS 61 CO 0.01 0.44 -0.30 0.35 -2.00 0.00 0.00 179.45 177.94 2dmq h PHE 62 N 0.40 -0.83 -0.97 0.07 3.04 -1.09 -1.95 116.94 115.59 2dmq h PHE 62 Ca 0.09 0.03 0.22 0.00 3.98 0.00 0.00 57.97 62.29 2dmq h PHE 62 Cb 0.27 0.38 -0.18 0.00 2.56 0.00 0.00 35.95 38.98 2dmq h PHE 62 CO 0.01 -0.39 -0.15 0.00 -2.02 0.00 0.00 178.31 175.76 2dmq h ARG 63 N -0.40 0.00 -0.67 1.11 3.08 -1.59 0.25 114.38 116.16 2dmq h ARG 63 Ca 0.09 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.26 2dmq h ARG 63 Cb 0.53 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 2dmq h ARG 63 CO -0.32 0.00 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.18 2dmq h ARG 64 N 0.00 -0.11 -0.69 0.04 2.43 -1.47 -0.55 114.38 114.04 2dmq h ARG 64 Ca 0.51 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.80 2dmq h ARG 64 Cb 0.89 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.34 2dmq h ARG 64 CO -0.97 -0.07 -0.37 -0.97 -1.51 0.00 0.00 179.97 176.08 2dmq h ASN 65 N -0.11 -1.31 -0.87 -3.80 -0.73 -0.53 0.28 115.58 108.51 2dmq h ASN 65 Ca 0.27 0.25 0.22 0.00 1.87 0.00 0.00 56.30 58.91 2dmq h ASN 65 Cb 0.56 0.65 -0.13 0.00 0.27 0.00 0.00 38.32 39.67 2dmq h ASN 65 CO -0.74 -0.31 0.34 -0.07 -0.37 0.00 0.00 177.43 176.29 2dmq h LEU 66 N -0.14 0.23 -1.64 0.34 4.07 -1.09 0.56 115.31 117.64 2dmq h LEU 66 Ca 0.25 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.37 2dmq h LEU 66 Cb 0.56 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 2dmq h LEU 66 CO -0.76 -0.03 0.20 -0.07 -1.08 0.00 0.00 178.44 176.70 2dmq h LEU 67 N 0.35 0.39 -1.16 1.67 3.38 -0.22 -3.46 115.31 116.25 2dmq h LEU 67 Ca 0.54 -0.01 -0.41 0.00 0.09 0.00 0.00 57.88 58.09 2dmq h LEU 67 Cb 1.03 -0.10 0.09 0.00 0.09 0.00 0.00 40.66 41.77 2dmq h LEU 67 CO -0.55 0.30 -0.74 0.54 0.09 0.00 0.00 178.44 178.08 2dmq n ARG 68 N -4.47 -6.68 -1.04 1.13 5.12 0.19 -4.87 116.66 106.04 2dmq n ARG 68 Ca 0.02 0.74 -0.21 0.00 -1.93 0.00 0.00 57.85 56.48 2dmq n ARG 68 Cb 0.08 -5.68 0.03 0.00 -1.16 0.00 0.00 32.46 25.72 2dmq n ARG 68 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2dmq n GLN 69 N -4.67 2.00 -3.90 5.56 7.27 -1.26 -4.71 117.38 117.67 2dmq n GLN 69 Ca -0.08 -1.90 -0.29 0.00 0.07 0.00 0.00 57.00 54.80 2dmq n GLN 69 Cb 0.59 -1.78 -0.13 0.00 2.41 0.00 0.00 30.24 31.33 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 -2.07 2.21 0.22 3.69 -6.30 -1.26 -5.09 118.70 110.10 2dmq s GLU 70 Ca 0.39 -3.01 -0.29 0.00 -2.50 0.00 0.00 54.97 49.57 2dmq s GLU 70 Cb 0.30 -3.31 -0.16 0.00 0.00 0.00 0.00 34.13 30.96 2dmq s GLU 70 CO -0.04 -1.22 0.75 0.27 0.02 0.00 0.00 175.26 175.04 2dmq n ASN 71 N 2.47 -0.17 -0.40 -1.70 6.94 -1.26 -4.91 115.26 116.22 2dmq n ASN 71 Ca 0.14 1.15 0.00 0.00 -0.02 0.00 0.00 54.58 55.85 2dmq n ASN 71 Cb 0.34 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 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 1.71 0.98 2.62 4.83 0.00 -1.26 -5.03 105.19 109.04 2dmq n GLY 72 Ca 0.15 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 5.14 3.62 -0.02 0.00 -1.26 -4.97 105.19 107.69 2dmq n GLY 73 Ca 0.00 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.08 3.31 -0.12 1.61 1.01 -1.26 -4.96 120.40 116.91 2dmq s VAL 74 Ca 0.53 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 2dmq s VAL 74 Cb 0.32 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.39 2dmq s VAL 74 CO -0.23 -0.18 0.31 -0.55 0.00 0.00 0.00 175.10 174.45 2dmq s SER 75 N 6.07 -0.35 0.00 3.32 0.15 -1.26 -5.15 113.70 116.48 2dmq s SER 75 Ca 0.86 0.65 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2dmq s SER 75 Cb -0.30 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2dmq s SER 75 CO 0.34 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dmq n GLY 76 N 3.70 1.57 3.74 9.45 0.00 -1.26 -5.14 105.19 117.25 2dmq n GLY 76 Ca -0.20 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 0.41 4.39 1.20 1.61 0.04 -1.26 -5.02 135.00 136.36 2dmq s PRO 77 Ca 0.00 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 2dmq s PRO 77 Cb 0.00 -3.20 0.28 0.00 0.04 0.00 0.00 34.50 31.63 2dmq s PRO 77 CO 0.00 -0.25 1.08 -1.54 0.04 0.00 0.00 177.00 176.33 2dmq s SER 78 N 0.33 0.92 -0.31 6.66 1.04 -1.26 -5.04 113.70 116.04 2dmq s SER 78 Ca 0.57 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.81 2dmq s SER 78 Cb -0.36 -1.16 0.09 0.00 0.10 0.00 0.00 66.02 64.69 2dmq s SER 78 CO 0.38 -4.14 0.06 -0.55 0.98 0.00 0.00 173.24 169.96 2dmq s SER 79 N -3.65 4.32 0.00 7.02 0.15 -1.26 -5.32 113.70 114.96 2dmq s SER 79 Ca 0.70 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 55.55 2dmq s SER 79 Cb -0.13 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2dmq s SER 79 CO 0.57 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.25