#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqr s PHE 6 N 0.00 2.41 0.20 1.24 5.36 -1.26 -4.96 117.98 120.98 2pqr s PHE 6 Ca 0.00 -0.54 0.11 0.00 -0.96 0.00 0.00 56.93 55.53 2pqr s PHE 6 Cb 0.00 -4.63 -0.04 0.00 -0.34 0.00 0.00 43.02 38.00 2pqr s PHE 6 CO 0.00 -1.97 -0.20 -1.58 -1.46 0.00 0.00 175.22 170.01 2pqr s TRP 7 N 5.53 2.38 0.74 10.12 0.51 -1.26 -5.14 118.94 131.82 2pqr s TRP 7 Ca 0.45 -0.32 -0.13 0.00 -2.12 0.00 0.00 56.10 53.99 2pqr s TRP 7 Cb -0.02 -1.16 0.04 0.00 -0.81 0.00 0.00 33.47 31.52 2pqr s TRP 7 CO -0.03 0.53 1.11 -1.25 -0.51 0.00 0.00 176.95 176.80 2pqr s PRO 8 N -2.82 2.33 0.47 4.98 0.04 -1.26 -5.06 135.00 133.68 2pqr s PRO 8 Ca 0.23 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2pqr s PRO 8 Cb -0.08 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2pqr s PRO 8 CO 0.12 -1.61 0.69 0.95 0.04 0.00 0.00 177.00 177.19 2pqr s THR 9 N -2.58 3.54 0.32 1.26 -4.23 -1.26 -4.99 115.64 107.70 2pqr s THR 9 Ca 0.65 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2pqr s THR 9 Cb -0.20 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.64 2pqr s THR 9 CO 0.50 -0.20 1.86 -0.07 -0.54 0.00 0.00 174.62 176.16 2pqr h LEU 10 N 0.33 0.79 -0.18 4.79 3.38 -2.00 -2.62 115.31 119.81 2pqr h LEU 10 Ca -0.45 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.59 2pqr h LEU 10 Cb 1.27 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2pqr h LEU 10 CO 0.55 0.42 0.01 0.50 0.09 0.00 0.00 178.44 180.01 2pqr h LYS 11 N 0.85 0.07 -0.93 1.13 3.64 -2.00 -1.95 116.57 117.38 2pqr h LYS 11 Ca 0.46 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 60.03 2pqr h LYS 11 Cb 0.57 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 2pqr h LYS 11 CO -0.23 0.05 0.50 -0.44 -2.27 0.00 0.00 179.45 177.06 2pqr h ASP 12 N 0.07 0.57 1.04 4.20 3.45 -1.86 -1.89 116.42 122.01 2pqr h ASP 12 Ca 0.08 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 2pqr h ASP 12 Cb 0.09 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.89 2pqr h ASP 12 CO -0.13 0.16 -0.05 0.00 -1.57 0.00 0.00 179.24 177.65 2pqr h ALA 13 N 1.65 1.01 -0.02 3.45 0.00 -1.06 -2.58 119.26 121.72 2pqr h ALA 13 Ca 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2pqr h ALA 13 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pqr h ALA 13 CO -0.43 0.06 -0.05 0.66 0.00 0.00 0.00 179.25 179.49 2pqr n TYR 14 N -3.16 0.00 -3.15 0.00 4.01 -0.72 -4.18 117.16 109.97 2pqr n TYR 14 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 2pqr n TYR 14 Cb 0.34 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.29 2pqr n TYR 14 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2pqr s GLU 15 N -2.08 3.24 0.80 -0.72 2.56 -0.97 -5.04 118.70 116.48 2pqr s GLU 15 Ca 0.33 -0.47 -0.11 0.00 0.00 0.00 0.00 54.97 54.72 2pqr s GLU 15 Cb 0.20 -3.96 0.07 0.00 2.00 0.00 0.00 34.13 32.44 2pqr s GLU 15 CO 0.36 -0.99 1.09 -2.14 -0.56 0.00 0.00 175.26 173.01 2pqr s PRO 16 N 2.69 2.09 0.56 4.30 0.02 -1.24 -4.83 135.00 138.59 2pqr s PRO 16 Ca 0.20 0.82 -0.05 0.00 0.02 0.00 0.00 61.00 61.99 2pqr s PRO 16 Cb -0.15 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 2pqr s PRO 16 CO 0.18 -1.66 0.86 -0.51 -0.33 0.00 0.00 177.00 175.53 2pqr s LEU 17 N -5.85 3.34 0.52 -5.54 1.43 -1.26 -5.04 118.68 106.28 2pqr s LEU 17 Ca 0.61 0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 54.20 2pqr s LEU 17 Cb -0.15 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 2pqr s LEU 17 CO 0.55 -0.94 1.21 -0.31 0.23 0.00 0.00 176.35 177.09 2pqr s TYR 18 N -2.90 2.61 0.25 0.29 2.02 -1.26 -4.87 117.35 113.48 2pqr s TYR 18 Ca 0.52 1.50 -0.03 0.00 -0.37 0.00 0.00 57.07 58.68 2pqr s TYR 18 Cb -0.10 -3.49 0.41 0.00 -0.40 0.00 0.00 41.96 38.38 2pqr s TYR 18 CO 0.44 -1.99 1.83 -1.35 -1.57 0.00 0.00 175.55 172.91 2pqr h PRO 19 N 1.56 0.88 -0.39 -1.71 0.11 -2.00 -1.70 132.00 128.76 2pqr h PRO 19 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2pqr h PRO 19 Cb 1.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2pqr h PRO 19 CO 0.58 0.59 0.25 -0.56 -0.21 0.00 0.00 178.00 178.64 2pqr h GLN 20 N 0.91 0.51 -0.27 1.05 -0.00 -1.99 -0.50 115.11 114.82 2pqr h GLN 20 Ca 0.41 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.90 2pqr h GLN 20 Cb 0.32 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.68 2pqr h GLN 20 CO -0.23 0.34 -0.36 1.96 -0.00 0.00 0.00 178.83 180.55 2pqr h GLN 21 N 0.53 0.72 -0.68 0.06 4.20 -1.70 -2.37 115.11 115.86 2pqr h GLN 21 Ca 0.14 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 2pqr h GLN 21 Cb -0.05 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2pqr h GLN 21 CO -0.03 1.03 0.28 1.25 -0.67 0.00 0.00 178.83 180.70 2pqr h LEU 22 N 0.45 0.91 -0.68 1.46 5.85 -0.94 -1.94 115.31 120.43 2pqr h LEU 22 Ca 0.03 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2pqr h LEU 22 Cb 0.95 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2pqr h LEU 22 CO 0.08 0.81 0.40 -0.33 -0.34 0.00 0.00 178.44 179.07 2pqr h GLU 23 N 0.98 0.92 -0.65 1.25 4.39 -1.05 -0.59 114.58 119.83 2pqr h GLU 23 Ca 0.23 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 2pqr h GLU 23 Cb 0.17 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2pqr h GLU 23 CO -0.02 0.66 0.28 0.82 -1.16 0.00 0.00 179.01 179.59 2pqr h ILE 24 N 0.92 1.23 -0.65 3.13 2.04 -0.97 -0.43 117.51 122.79 2pqr h ILE 24 Ca 0.24 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2pqr h ILE 24 Cb -0.02 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2pqr h ILE 24 CO -0.04 0.28 0.25 -0.07 0.00 0.00 0.00 178.15 178.57 2pqr h LEU 25 N 0.92 0.90 -0.19 1.44 3.38 -1.03 -0.68 115.31 120.04 2pqr h LEU 25 Ca 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2pqr h LEU 25 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2pqr h LEU 25 CO -0.02 0.83 0.10 -0.09 0.09 0.00 0.00 178.44 179.35 2pqr h ARG 26 N 0.91 0.27 -0.59 1.13 2.43 -0.87 -2.63 114.38 115.04 2pqr h ARG 26 Ca 0.22 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2pqr h ARG 26 Cb 0.21 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2pqr h ARG 26 CO -0.02 0.28 0.39 1.96 -1.51 0.00 0.00 179.97 181.07 2pqr h GLN 27 N 0.20 0.73 -0.72 0.20 4.20 -0.93 -1.77 115.11 117.02 2pqr h GLN 27 Ca 0.07 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2pqr h GLN 27 Cb 0.09 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 2pqr h GLN 27 CO -0.01 0.49 0.22 0.37 -0.67 0.00 0.00 178.83 179.22 2pqr h GLN 28 N 0.76 1.11 -0.42 1.46 5.75 -0.92 0.45 115.11 123.30 2pqr h GLN 28 Ca 0.22 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2pqr h GLN 28 Cb -0.03 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 2pqr h GLN 28 CO -0.05 0.95 0.16 0.28 -2.65 0.00 0.00 178.83 177.52 2pqr h VAL 29 N 1.07 1.20 -0.14 2.39 2.07 -1.07 -2.43 116.25 119.33 2pqr h VAL 29 Ca 0.23 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2pqr h VAL 29 Cb 0.30 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2pqr h VAL 29 CO -0.01 0.23 -0.12 0.58 0.02 0.00 0.00 177.57 178.27 2pqr h VAL 30 N 0.53 0.66 -0.00 2.57 2.07 -1.13 0.26 116.25 121.20 2pqr h VAL 30 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2pqr h VAL 30 Cb 0.20 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2pqr h VAL 30 CO -0.01 0.00 0.01 0.77 0.02 0.00 0.00 177.57 178.36 2pqr h SER 31 N -0.14 0.00 0.19 0.57 4.64 -0.60 0.57 113.55 118.78 2pqr h SER 31 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2pqr h SER 31 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2pqr h SER 31 CO -0.22 0.00 -0.34 -0.62 -0.87 0.00 0.00 176.83 174.78 2pqr n GLU 32 N -3.56 0.86 0.00 4.77 1.02 -0.92 -4.95 120.64 117.86 2pqr n GLU 32 Ca -0.03 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 2pqr n GLU 32 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2pqr n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pqr n GLY 33 N 1.37 1.28 7.00 0.62 0.00 0.19 -3.84 105.19 111.81 2pqr n GLY 33 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2pqr n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqr n GLY 34 N -1.09 2.56 0.33 -0.02 0.00 0.03 -3.03 105.19 103.97 2pqr n GLY 34 Ca 0.00 -0.29 0.22 0.00 0.00 0.00 0.00 46.02 45.95 2pqr n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pqr h PRO 35 N 0.00 0.00 -0.65 1.61 0.13 -1.95 -1.04 132.00 130.09 2pqr h PRO 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2pqr h PRO 35 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2pqr h PRO 35 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 2pqr n THR 36 N -3.12 1.92 -0.73 1.56 -2.24 -1.17 -4.99 114.28 105.51 2pqr n THR 36 Ca -0.02 -1.22 -0.29 0.00 -2.27 0.00 0.00 64.05 60.24 2pqr n THR 36 Cb 0.11 0.09 0.20 0.00 -2.10 0.00 0.00 70.33 68.64 2pqr n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqr s ALA 37 N -1.93 0.51 0.63 6.98 0.00 -0.40 -4.81 121.76 122.74 2pqr s ALA 37 Ca 0.52 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.39 2pqr s ALA 37 Cb 0.34 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 2pqr s ALA 37 CO 0.24 -3.23 1.20 0.25 0.00 0.00 0.00 175.76 174.23 2pqr n THR 38 N -4.51 4.52 -0.18 0.00 -2.24 -1.26 -4.86 114.28 105.76 2pqr n THR 38 Ca 0.06 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 2pqr n THR 38 Cb 0.54 -1.41 0.04 0.00 -2.10 0.00 0.00 70.33 67.41 2pqr n THR 38 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2pqr h ILE 39 N 0.58 1.03 -0.29 2.28 2.04 -1.98 -1.66 117.51 119.51 2pqr h ILE 39 Ca -0.50 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.17 2pqr h ILE 39 Cb 1.34 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2pqr h ILE 39 CO 0.53 0.11 0.13 -0.61 0.00 0.00 0.00 178.15 178.31 2pqr h GLN 40 N 0.60 0.27 -0.12 2.37 5.75 -1.99 0.19 115.11 122.19 2pqr h GLN 40 Ca 0.22 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 2pqr h GLN 40 Cb 0.05 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2pqr h GLN 40 CO -0.11 0.18 -0.52 0.77 -2.65 0.00 0.00 178.83 176.51 2pqr h SER 41 N 0.28 0.37 -0.22 -0.69 0.02 -1.90 -0.82 113.55 110.60 2pqr h SER 41 Ca 0.12 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2pqr h SER 41 Cb 0.05 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2pqr h SER 41 CO -0.09 0.82 -0.33 0.03 -1.14 0.00 0.00 176.83 176.12 2pqr h ARG 42 N 0.27 0.74 -0.43 3.45 3.08 -1.06 -2.10 114.38 118.32 2pqr h ARG 42 Ca 0.01 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 2pqr h ARG 42 Cb 1.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2pqr h ARG 42 CO 0.09 0.96 0.15 0.35 -1.07 0.00 0.00 179.97 180.45 2pqr h PHE 43 N 0.62 0.67 -0.47 3.04 3.57 -0.32 -1.19 116.94 122.86 2pqr h PHE 43 Ca 0.07 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2pqr h PHE 43 Cb 0.86 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2pqr h PHE 43 CO 0.04 0.60 0.24 -0.91 -2.23 0.00 0.00 178.31 176.05 2pqr h ASN 44 N 0.55 0.35 -0.05 0.41 2.35 -0.95 -0.38 115.58 117.87 2pqr h ASN 44 Ca 0.14 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2pqr h ASN 44 Cb 0.23 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2pqr h ASN 44 CO -0.01 0.25 0.02 0.22 -1.65 0.00 0.00 177.43 176.26 2pqr h TYR 45 N 0.48 0.08 -0.80 1.19 3.20 -1.28 -1.85 116.97 118.00 2pqr h TYR 45 Ca 0.21 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.20 2pqr h TYR 45 Cb 0.11 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.26 2pqr h TYR 45 CO -0.10 0.24 0.39 0.00 -1.64 0.00 0.00 178.16 177.05 2pqr h ALA 46 N 0.83 1.16 -0.05 1.82 0.00 -0.91 0.19 119.26 122.30 2pqr h ALA 46 Ca 0.02 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2pqr h ALA 46 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pqr h ALA 46 CO -0.00 -0.10 -0.79 2.35 0.00 0.00 0.00 179.25 180.71 2pqr h TRP 47 N 0.58 0.51 -0.16 0.00 2.91 -1.03 -0.65 115.95 118.12 2pqr h TRP 47 Ca 0.43 -0.24 -0.09 0.00 1.13 0.00 0.00 58.89 60.11 2pqr h TRP 47 Cb 0.58 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 2pqr h TRP 47 CO -0.11 1.02 -0.31 0.78 -1.03 0.00 0.00 178.44 178.79 2pqr h GLY 48 N 1.36 0.34 1.09 2.65 0.00 -0.49 -1.43 103.07 106.59 2pqr h GLY 48 Ca -0.04 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 2pqr h GLY 48 CO 0.13 0.26 -0.32 1.41 0.00 0.00 0.00 176.54 178.02 2pqr h LEU 49 N 0.28 0.95 -1.33 3.11 3.38 -0.28 -2.26 115.31 119.15 2pqr h LEU 49 Ca 0.04 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2pqr h LEU 49 Cb 0.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2pqr h LEU 49 CO 0.05 1.20 0.05 0.40 0.09 0.00 0.00 178.44 180.23 2pqr h ILE 50 N 0.72 1.17 0.00 1.22 2.04 -0.69 -2.19 117.51 119.78 2pqr h ILE 50 Ca 0.07 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2pqr h ILE 50 Cb 0.91 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2pqr h ILE 50 CO 0.08 0.23 0.00 0.11 0.00 0.00 0.00 178.15 178.57 2pqr h LYS 51 N 0.48 0.00 -7.14 2.37 1.57 -0.97 -3.45 116.57 109.43 2pqr h LYS 51 Ca 0.11 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.35 2pqr h LYS 51 Cb 0.24 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.70 2pqr h LYS 51 CO 0.00 0.00 0.45 0.45 -0.57 0.00 0.00 179.45 179.79 2pqr s SER 52 N -5.77 4.49 0.00 0.86 0.15 -0.83 -3.63 113.70 108.97 2pqr s SER 52 Ca 0.03 2.48 0.27 0.00 0.70 0.00 0.00 55.95 59.42 2pqr s SER 52 Cb 0.08 -2.60 0.87 0.00 -1.71 0.00 0.00 66.02 62.65 2pqr s SER 52 CO 0.57 -2.07 1.66 0.35 1.20 0.00 0.00 173.24 174.95 2pqr n THR 53 N -2.23 0.00 -2.52 6.45 -2.24 -1.26 -4.74 114.28 107.74 2pqr n THR 53 Ca 0.14 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 2pqr n THR 53 Cb 0.49 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 2pqr n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pqr s ASP 54 N -2.90 7.06 0.28 3.42 3.68 -1.26 -4.95 116.67 122.00 2pqr s ASP 54 Ca 0.15 1.65 -0.02 0.00 2.13 0.00 0.00 52.55 56.46 2pqr s ASP 54 Cb 0.18 -2.55 0.41 0.00 -1.45 0.00 0.00 42.92 39.52 2pqr s ASP 54 CO 0.60 -0.63 1.92 -0.37 0.13 0.00 0.00 175.17 176.83 2pqr h VAL 55 N 5.24 1.15 -0.40 1.11 -1.51 -1.97 -1.31 116.25 118.57 2pqr h VAL 55 Ca -0.29 -0.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2pqr h VAL 55 Cb 1.12 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 2pqr h VAL 55 CO 0.92 0.21 0.24 0.78 -1.23 0.00 0.00 177.57 178.50 2pqr h ASN 56 N 1.17 0.48 -0.43 4.19 2.35 -1.98 -0.53 115.58 120.84 2pqr h ASN 56 Ca 0.38 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.11 2pqr h ASN 56 Cb 0.03 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2pqr h ASN 56 CO -0.12 0.39 0.20 0.44 -1.65 0.00 0.00 177.43 176.69 2pqr h ASP 57 N 0.53 0.28 -0.61 5.81 3.32 -1.77 -1.84 116.42 122.13 2pqr h ASP 57 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2pqr h ASP 57 Cb -0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2pqr h ASP 57 CO -0.03 0.20 0.35 -0.33 -1.72 0.00 0.00 179.24 177.71 2pqr h GLU 58 N 0.40 0.84 -0.63 3.56 5.08 -0.79 -0.57 114.58 122.47 2pqr h GLU 58 Ca 0.19 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2pqr h GLU 58 Cb 0.11 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2pqr h GLU 58 CO -0.14 0.62 0.30 0.00 -1.00 0.00 0.00 179.01 178.78 2pqr h ARG 59 N 0.82 0.92 -0.35 2.33 3.08 -0.87 -1.33 114.38 118.98 2pqr h ARG 59 Ca 0.22 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.15 2pqr h ARG 59 Cb 0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2pqr h ARG 59 CO -0.04 0.74 0.18 1.25 -1.07 0.00 0.00 179.97 181.03 2pqr h LEU 60 N 0.87 0.28 -1.09 3.04 5.85 -0.98 -0.88 115.31 122.40 2pqr h LEU 60 Ca 0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2pqr h LEU 60 Cb 0.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2pqr h LEU 60 CO -0.03 0.20 0.29 1.23 -0.34 0.00 0.00 178.44 179.80 2pqr h GLY 61 N 0.38 1.00 0.99 3.75 0.00 -0.77 -0.89 103.07 107.53 2pqr h GLY 61 Ca 0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2pqr h GLY 61 CO -0.09 0.47 0.24 -2.08 0.00 0.00 0.00 176.54 175.08 2pqr h VAL 62 N 0.93 1.22 0.03 4.60 2.07 -0.90 -1.82 116.25 122.38 2pqr h VAL 62 Ca 0.22 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2pqr h VAL 62 Cb 0.13 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2pqr h VAL 62 CO -0.03 0.27 -0.01 0.50 0.02 0.00 0.00 177.57 178.32 2pqr h LYS 63 N 0.81 -0.04 -0.80 1.57 3.11 -0.55 -0.77 116.57 119.90 2pqr h LYS 63 Ca 0.20 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 58.10 2pqr h LYS 63 Cb 0.19 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.37 2pqr h LYS 63 CO -0.02 0.01 0.48 0.82 -2.81 0.00 0.00 179.45 177.93 2pqr h ILE 64 N -0.07 1.00 -0.94 2.00 2.04 -1.12 -0.42 117.51 120.01 2pqr h ILE 64 Ca -0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2pqr h ILE 64 Cb 0.06 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2pqr h ILE 64 CO 0.01 0.16 0.55 -0.07 0.00 0.00 0.00 178.15 178.80 2pqr h LEU 65 N 0.86 1.14 -0.67 1.44 4.07 -1.03 -1.09 115.31 120.03 2pqr h LEU 65 Ca 0.35 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 2pqr h LEU 65 Cb 0.20 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 2pqr h LEU 65 CO -0.18 0.88 0.24 0.74 -1.08 0.00 0.00 178.44 179.04 2pqr h THR 66 N 1.30 1.25 -0.56 0.22 2.02 -0.60 0.14 112.91 116.68 2pqr h THR 66 Ca 0.33 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.74 2pqr h THR 66 Cb -0.04 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2pqr h THR 66 CO -0.06 0.31 0.34 0.44 0.37 0.00 0.00 175.52 176.92 2pqr h ASP 67 N 0.95 0.54 -0.18 4.18 3.32 -0.65 -0.94 116.42 123.64 2pqr h ASP 67 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2pqr h ASP 67 Cb 0.24 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2pqr h ASP 67 CO -0.01 0.38 0.06 0.40 -1.72 0.00 0.00 179.24 178.35 2pqr h ILE 68 N 0.66 1.19 -0.58 0.35 1.08 -0.84 -0.70 117.51 118.67 2pqr h ILE 68 Ca 0.22 -0.58 0.12 0.00 -0.39 0.00 0.00 64.86 64.23 2pqr h ILE 68 Cb 0.02 1.22 -0.11 0.00 -3.07 0.00 0.00 36.82 34.88 2pqr h ILE 68 CO -0.10 0.18 -0.20 0.22 -0.69 0.00 0.00 178.15 177.56 2pqr h TYR 69 N 0.12 -0.49 -0.50 1.37 3.20 -0.54 0.34 116.97 120.48 2pqr h TYR 69 Ca 0.06 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 2pqr h TYR 69 Cb 0.23 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2pqr h TYR 69 CO 0.00 -0.30 -0.06 0.87 -1.64 0.00 0.00 178.16 177.03 2pqr h LYS 70 N -0.06 0.92 0.00 1.82 1.57 -0.68 -3.23 116.57 116.91 2pqr h LYS 70 Ca 0.27 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2pqr h LYS 70 Cb 0.48 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2pqr h LYS 70 CO -0.63 0.98 -0.27 1.05 -0.57 0.00 0.00 179.45 180.01 2pqr h GLU 71 N 0.78 0.00 -4.19 3.15 4.11 -0.49 -3.42 114.58 114.52 2pqr h GLU 71 Ca 0.13 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.94 2pqr h GLU 71 Cb 0.61 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.46 2pqr h GLU 71 CO 0.04 0.27 -0.74 0.00 0.07 0.00 0.00 179.01 178.65 2pqr s ALA 72 N -3.10 2.29 0.38 1.06 0.00 0.05 -4.97 121.76 117.48 2pqr s ALA 72 Ca 0.05 -2.14 0.06 0.00 0.00 0.00 0.00 51.96 49.93 2pqr s ALA 72 Cb 0.07 -1.81 0.79 0.00 0.00 0.00 0.00 23.12 22.17 2pqr s ALA 72 CO 0.71 -1.67 2.01 1.49 0.00 0.00 0.00 175.76 178.30 2pqr h GLU 73 N 7.82 0.65 0.00 0.00 4.81 -1.83 -0.02 114.58 126.01 2pqr h GLU 73 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2pqr h GLU 73 Cb 1.02 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2pqr h GLU 73 CO 0.50 0.43 0.00 -1.13 -0.73 0.00 0.00 179.01 178.08 2pqr n SER 74 N -4.47 0.63 -0.72 1.04 3.41 -1.26 -2.40 113.62 109.85 2pqr n SER 74 Ca 0.07 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 2pqr n SER 74 Cb 0.14 -0.80 0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2pqr n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pqr n ARG 75 N -2.21 1.50 -0.16 4.33 5.12 -0.03 -4.68 116.66 120.53 2pqr n ARG 75 Ca 0.02 -1.58 -0.11 0.00 -1.93 0.00 0.00 57.85 54.25 2pqr n ARG 75 Cb 0.20 -1.34 -0.00 0.00 -1.16 0.00 0.00 32.46 30.15 2pqr n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pqr h ARG 76 N 3.51 0.90 0.05 5.56 3.08 -1.43 -0.49 114.38 125.55 2pqr h ARG 76 Ca 0.00 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 59.72 2pqr h ARG 76 Cb 0.75 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 2pqr h ARG 76 CO 0.00 0.99 -0.49 -0.09 -1.07 0.00 0.00 179.97 179.31 2pqr h ARG 77 N 0.74 -0.63 -0.19 0.04 2.43 -1.83 0.66 114.38 115.60 2pqr h ARG 77 Ca 0.12 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 2pqr h ARG 77 Cb 0.65 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2pqr h ARG 77 CO 0.04 -0.42 -0.33 1.05 -1.51 0.00 0.00 179.97 178.80 2pqr h GLU 78 N -0.65 0.40 -0.58 0.20 4.11 -1.85 -2.92 114.58 113.28 2pqr h GLU 78 Ca 0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 2pqr h GLU 78 Cb 0.68 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2pqr h GLU 78 CO -0.30 0.69 0.29 0.00 0.07 0.00 0.00 179.01 179.76 2pqr h LEU 80 N 0.82 0.72 0.15 0.00 3.38 -0.67 0.62 115.31 120.32 2pqr h LEU 80 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2pqr h LEU 80 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2pqr h LEU 80 CO -0.03 0.50 -0.07 0.22 0.09 0.00 0.00 178.44 179.15 2pqr h TYR 81 N 0.84 -0.18 -0.50 1.13 3.20 -1.38 -1.80 116.97 118.28 2pqr h TYR 81 Ca 0.28 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.17 2pqr h TYR 81 Cb 0.08 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2pqr h TYR 81 CO -0.00 0.17 0.30 1.88 -1.64 0.00 0.00 178.16 178.87 2pqr h TYR 82 N -0.56 0.56 -0.74 -3.82 0.05 -1.11 -2.49 116.97 108.87 2pqr h TYR 82 Ca -0.02 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.83 2pqr h TYR 82 Cb 0.43 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 2pqr h TYR 82 CO 0.04 0.33 0.48 -0.07 -1.05 0.00 0.00 178.16 177.89 2pqr h LEU 83 N 0.60 0.72 -0.19 3.88 3.38 -0.88 -1.65 115.31 121.16 2pqr h LEU 83 Ca 0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2pqr h LEU 83 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2pqr h LEU 83 CO -0.08 0.47 0.09 0.74 0.09 0.00 0.00 178.44 179.75 2pqr h THR 84 N 0.82 1.14 -0.03 0.22 2.02 -0.88 0.33 112.91 116.54 2pqr h THR 84 Ca 0.31 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 2pqr h THR 84 Cb 0.18 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2pqr h THR 84 CO -0.10 0.14 0.01 0.40 0.37 0.00 0.00 175.52 176.34 2pqr h ILE 85 N 0.17 1.08 -0.28 3.11 2.04 -1.21 0.71 117.51 123.12 2pqr h ILE 85 Ca 0.06 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2pqr h ILE 85 Cb 0.14 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2pqr h ILE 85 CO -0.01 0.06 -0.05 1.23 0.00 0.00 0.00 178.15 179.39 2pqr h GLY 86 N -0.05 0.23 1.13 5.37 0.00 -1.21 -0.05 103.07 108.49 2pqr h GLY 86 Ca 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2pqr h GLY 86 CO -0.00 -0.09 0.34 0.00 0.00 0.00 0.00 176.54 176.78 2pqr h TYR 88 N 1.10 0.84 -0.24 0.00 3.20 -0.49 0.23 116.97 121.61 2pqr h TYR 88 Ca 0.26 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 2pqr h TYR 88 Cb 0.16 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2pqr h TYR 88 CO 0.02 0.55 -0.01 -0.22 -1.64 0.00 0.00 178.16 176.85 2pqr h LYS 89 N 0.88 0.35 -0.00 1.82 3.64 -0.69 -2.33 116.57 120.25 2pqr h LYS 89 Ca 0.24 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2pqr h LYS 89 Cb -0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2pqr h LYS 89 CO -0.05 0.40 -0.03 1.28 -2.27 0.00 0.00 179.45 178.78 2pqr n LEU 90 N -4.33 0.06 -0.23 5.20 4.77 -0.82 -4.90 117.00 116.74 2pqr n LEU 90 Ca 0.00 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 2pqr n LEU 90 Cb 0.21 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2pqr n LEU 90 CO 0.37 0.01 -0.03 0.61 -1.33 0.00 0.00 177.39 177.03 2pqr n GLY 91 N 1.39 0.62 2.89 -0.72 0.00 -0.88 -4.95 105.19 103.54 2pqr n GLY 91 Ca 0.11 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2pqr n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pqr n GLU 92 N -2.70 3.77 0.05 1.61 -0.58 0.01 -4.78 120.64 118.03 2pqr n GLU 92 Ca -0.03 -3.70 -0.05 0.00 -0.42 0.00 0.00 57.16 52.96 2pqr n GLU 92 Cb 0.13 -2.85 0.16 0.00 -0.57 0.00 0.00 31.44 28.30 2pqr n GLU 92 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2pqr h TYR 93 N 5.69 0.43 -0.43 -0.32 0.05 -1.91 -2.12 116.97 118.35 2pqr h TYR 93 Ca 0.36 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 59.02 2pqr h TYR 93 Cb 0.63 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2pqr h TYR 93 CO 1.21 0.75 0.28 0.77 -1.05 0.00 0.00 178.16 180.12 2pqr h SER 94 N 0.29 0.49 -0.47 3.88 0.02 -1.96 0.13 113.55 115.95 2pqr h SER 94 Ca 0.02 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2pqr h SER 94 Cb 0.91 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2pqr h SER 94 CO 0.08 0.35 -0.04 0.24 -1.14 0.00 0.00 176.83 176.32 2pqr h MET 95 N 0.58 0.85 -0.66 3.45 2.86 -1.93 -2.14 114.93 117.94 2pqr h MET 95 Ca 0.16 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2pqr h MET 95 Cb -0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2pqr h MET 95 CO -0.03 0.91 0.29 0.00 1.06 0.00 0.00 176.91 179.14 2pqr h ALA 96 N 0.90 0.85 -0.28 6.32 0.00 -0.85 -1.37 119.26 124.84 2pqr h ALA 96 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pqr h ALA 96 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2pqr h ALA 96 CO 0.03 0.44 0.10 -0.22 0.00 0.00 0.00 179.25 179.60 2pqr h LYS 97 N 0.92 0.42 -0.01 0.00 3.64 -0.73 -0.24 116.57 120.58 2pqr h LYS 97 Ca 0.22 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2pqr h LYS 97 Cb 0.16 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2pqr h LYS 97 CO -0.02 0.47 -0.13 0.00 -2.27 0.00 0.00 179.45 177.49 2pqr h ARG 98 N 0.29 -0.21 -0.04 1.90 3.08 -0.97 -1.21 114.38 117.22 2pqr h ARG 98 Ca 0.09 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2pqr h ARG 98 Cb 0.21 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2pqr h ARG 98 CO -0.01 -0.14 0.02 1.88 -1.07 0.00 0.00 179.97 180.65 2pqr h TYR 99 N -0.22 0.05 -0.44 3.04 0.05 -1.13 -2.44 116.97 115.89 2pqr h TYR 99 Ca 0.05 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 2pqr h TYR 99 Cb 0.28 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2pqr h TYR 99 CO -0.19 0.17 0.04 -0.24 -1.05 0.00 0.00 178.16 176.88 2pqr h VAL 100 N -0.08 1.22 -0.40 -2.88 3.04 -1.03 -1.78 116.25 114.34 2pqr h VAL 100 Ca 0.01 -0.86 -0.13 0.00 -1.01 0.00 0.00 66.70 64.72 2pqr h VAL 100 Cb 0.14 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 2pqr h VAL 100 CO -0.00 0.31 -0.25 0.44 -1.01 0.00 0.00 177.57 177.05 2pqr h ASP 101 N 0.66 0.85 -0.26 3.17 3.45 -1.21 0.34 116.42 123.42 2pqr h ASP 101 Ca 0.14 -0.32 -0.02 0.00 0.43 0.00 0.00 57.03 57.25 2pqr h ASP 101 Cb 0.36 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 2pqr h ASP 101 CO 0.01 1.06 0.08 0.74 -1.57 0.00 0.00 179.24 179.56 2pqr h THR 102 N 0.71 1.20 -0.07 0.35 2.02 -1.18 -1.26 112.91 114.69 2pqr h THR 102 Ca 0.09 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2pqr h THR 102 Cb 0.79 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2pqr h THR 102 CO 0.07 0.21 0.03 0.25 0.37 0.00 0.00 175.52 176.45 2pqr h LEU 103 N 0.25 0.08 -0.75 2.58 5.85 -1.17 -2.71 115.31 119.44 2pqr h LEU 103 Ca 0.08 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2pqr h LEU 103 Cb 0.24 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2pqr h LEU 103 CO -0.00 0.16 0.46 0.15 -0.34 0.00 0.00 178.44 178.87 2pqr h PHE 104 N 0.01 0.87 -0.01 1.25 3.57 -0.29 -1.90 116.94 120.43 2pqr h PHE 104 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2pqr h PHE 104 Cb 0.09 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2pqr h PHE 104 CO -0.04 0.47 -0.18 0.93 -2.23 0.00 0.00 178.31 177.26 2pqr h GLU 105 N 0.88 0.02 -0.22 1.11 5.08 -1.16 -1.49 114.58 118.80 2pqr h GLU 105 Ca 0.32 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 2pqr h GLU 105 Cb 0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2pqr h GLU 105 CO -0.14 0.19 -0.38 1.25 -1.00 0.00 0.00 179.01 178.94 2pqr h HIS 106 N 0.01 0.58 -1.76 4.33 2.76 -1.03 -3.39 115.15 116.65 2pqr h HIS 106 Ca 0.00 -0.16 -0.36 0.00 -2.20 0.00 0.00 60.37 57.66 2pqr h HIS 106 Cb 0.33 -0.13 -0.28 0.00 1.55 0.00 0.00 27.41 28.87 2pqr h HIS 106 CO 0.00 0.80 -0.71 -1.83 -1.30 0.00 0.00 177.93 174.90 2pqr s GLU 107 N -4.27 0.85 0.53 5.26 -1.05 -0.81 -5.02 118.70 114.19 2pqr s GLU 107 Ca -0.07 -1.26 0.27 0.00 -0.15 0.00 0.00 54.97 53.76 2pqr s GLU 107 Cb 0.13 -0.70 1.48 0.00 -0.44 0.00 0.00 34.13 34.60 2pqr s GLU 107 CO 0.81 -1.29 2.09 0.00 0.95 0.00 0.00 175.26 177.82 2pqr h ARG 108 N 6.06 0.00 -0.00 -4.83 3.08 -1.51 -2.34 114.38 114.84 2pqr h ARG 108 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2pqr h ARG 108 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2pqr h ARG 108 CO 0.19 0.10 0.00 0.27 -1.07 0.00 0.00 179.97 179.47 2pqr n ASN 109 N -3.70 0.18 -4.55 7.04 6.94 -1.26 -4.69 115.26 115.22 2pqr n ASN 109 Ca -0.02 -1.07 -0.41 0.00 -0.02 0.00 0.00 54.58 53.06 2pqr n ASN 109 Cb 0.22 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 2pqr n ASN 109 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2pqr s ASN 110 N -1.99 6.09 0.23 0.53 3.04 -0.88 -4.89 114.94 117.07 2pqr s ASN 110 Ca 0.46 -0.32 -0.08 0.00 0.04 0.00 0.00 52.86 52.97 2pqr s ASN 110 Cb 0.22 -2.56 0.24 0.00 -1.54 0.00 0.00 41.25 37.61 2pqr s ASN 110 CO 0.36 -1.87 1.89 0.11 -3.04 0.00 0.00 177.10 174.56 2pqr h LYS 111 N 10.52 1.11 -0.57 0.43 1.79 -1.89 -1.43 116.57 126.52 2pqr h LYS 111 Ca -0.28 -0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.18 2pqr h LYS 111 Cb 1.06 -0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 31.41 2pqr h LYS 111 CO 1.27 0.74 0.31 0.37 -1.08 0.00 0.00 179.45 181.05 2pqr h GLN 112 N 1.15 0.57 -0.34 3.15 4.15 -1.99 -0.64 115.11 121.15 2pqr h GLN 112 Ca 0.33 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 2pqr h GLN 112 Cb -0.07 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 2pqr h GLN 112 CO -0.09 0.37 0.00 0.28 -1.93 0.00 0.00 178.83 177.46 2pqr h VAL 113 N 0.58 1.26 -0.48 2.39 2.07 -1.83 -2.07 116.25 118.17 2pqr h VAL 113 Ca 0.25 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2pqr h VAL 113 Cb 0.14 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2pqr h VAL 113 CO -0.16 0.32 0.21 1.23 0.02 0.00 0.00 177.57 179.19 2pqr h GLY 114 N 0.41 0.65 0.76 2.17 0.00 -1.15 0.14 103.07 106.05 2pqr h GLY 114 Ca 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2pqr h GLY 114 CO 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 176.54 176.62 2pqr h ALA 115 N 1.28 0.12 -0.22 3.60 0.00 -1.12 -0.92 119.26 121.99 2pqr h ALA 115 Ca 0.22 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2pqr h ALA 115 Cb 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2pqr h ALA 115 CO -0.18 -0.46 0.08 1.25 0.00 0.00 0.00 179.25 179.94 2pqr h LEU 116 N 0.04 0.09 -0.81 0.00 5.85 -1.15 -2.05 115.31 117.27 2pqr h LEU 116 Ca 0.07 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.95 2pqr h LEU 116 Cb 0.09 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 2pqr h LEU 116 CO -0.12 0.08 0.39 0.50 -0.34 0.00 0.00 178.44 178.95 2pqr h LYS 117 N 0.18 0.54 -0.55 1.25 3.64 -0.47 -1.41 116.57 119.76 2pqr h LYS 117 Ca 0.10 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2pqr h LYS 117 Cb 0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2pqr h LYS 117 CO -0.10 0.36 0.21 0.77 -2.27 0.00 0.00 179.45 178.42 2pqr h SER 118 N 0.56 0.76 -0.16 4.20 0.02 -0.87 -0.79 113.55 117.28 2pqr h SER 118 Ca 0.44 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 2pqr h SER 118 Cb 0.64 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2pqr h SER 118 CO -0.37 0.74 -0.02 0.24 -1.14 0.00 0.00 176.83 176.27 2pqr h MET 119 N 0.75 0.02 -0.03 3.45 2.86 -0.80 0.16 114.93 121.35 2pqr h MET 119 Ca 0.18 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2pqr h MET 119 Cb 0.22 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2pqr h MET 119 CO -0.01 0.01 -0.07 0.28 1.06 0.00 0.00 176.91 178.18 2pqr h VAL 120 N 0.02 0.80 -0.54 -2.22 2.07 -0.98 -2.13 116.25 113.28 2pqr h VAL 120 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2pqr h VAL 120 Cb 0.10 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2pqr h VAL 120 CO -0.14 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.37 2pqr h GLU 121 N -0.11 0.77 -0.26 1.57 5.08 -0.94 -1.89 114.58 118.80 2pqr h GLU 121 Ca 0.04 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2pqr h GLU 121 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2pqr h GLU 121 CO -0.10 0.60 0.14 -0.44 -1.00 0.00 0.00 179.01 178.21 2pqr h ASP 122 N 0.77 0.21 -0.63 1.42 3.32 -0.32 -0.60 116.42 120.59 2pqr h ASP 122 Ca 0.19 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2pqr h ASP 122 Cb 0.09 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2pqr h ASP 122 CO -0.02 0.16 0.28 0.50 -1.72 0.00 0.00 179.24 178.44 2pqr h LYS 123 N 0.29 0.92 -0.44 3.56 1.63 -1.11 0.41 116.57 121.84 2pqr h LYS 123 Ca 0.11 -0.15 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2pqr h LYS 123 Cb 0.02 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 2pqr h LYS 123 CO -0.07 0.76 0.25 0.82 -3.45 0.00 0.00 179.45 177.76 2pqr h ILE 124 N 0.88 1.02 -0.70 2.00 2.04 -1.14 -0.10 117.51 121.50 2pqr h ILE 124 Ca 0.21 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2pqr h ILE 124 Cb 0.15 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2pqr h ILE 124 CO -0.02 0.09 0.46 -0.61 0.00 0.00 0.00 178.15 178.07 2pqr h GLN 125 N 0.50 0.90 -0.90 2.37 5.75 -0.87 -2.59 115.11 120.26 2pqr h GLN 125 Ca 0.18 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2pqr h GLN 125 Cb 0.04 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 2pqr h GLN 125 CO -0.10 0.60 0.56 0.87 -2.65 0.00 0.00 178.83 178.11 2pqr h LYS 126 N 0.93 1.21 0.00 1.69 1.57 -0.23 -2.52 116.57 119.22 2pqr h LYS 126 Ca 0.27 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2pqr h LYS 126 Cb -0.07 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 31.98 2pqr h LYS 126 CO -0.07 0.83 -0.02 0.93 -0.57 0.00 0.00 179.45 180.56 2pqr h GLU 127 N 1.24 0.00 0.00 3.15 4.39 -0.64 -3.51 114.58 119.21 2pqr h GLU 127 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2pqr h GLU 127 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2pqr h GLU 127 CO -0.06 0.02 0.00 0.25 -1.16 0.00 0.00 179.01 178.05