#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqm n ALA 2 N 0.00 0.00 -2.77 3.04 0.00 -1.26 -5.11 120.51 114.41 1hqm n ALA 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1hqm n ALA 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1hqm n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hqm s GLU 3 N 0.00 3.91 -0.86 0.00 0.41 -1.26 -5.01 118.70 115.89 1hqm s GLU 3 Ca 0.00 -0.35 -0.23 0.00 -0.41 0.00 0.00 54.97 53.98 1hqm s GLU 3 Cb 0.00 -3.46 -0.21 0.00 -1.78 0.00 0.00 34.13 28.68 1hqm s GLU 3 CO 0.00 -0.04 2.45 -2.30 -0.49 0.00 0.00 175.26 174.89 1hqm n PRO 4 N 4.55 0.30 -0.78 0.39 -0.02 -1.26 0.38 135.00 138.56 1hqm n PRO 4 Ca -0.15 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1hqm n PRO 4 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1hqm n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqm n GLY 5 N 6.18 0.52 0.36 -1.23 0.00 -1.26 -4.87 105.19 104.89 1hqm n GLY 5 Ca 0.58 -0.82 0.16 0.00 0.00 0.00 0.00 46.02 45.93 1hqm n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hqm h ILE 6 N 0.00 0.64 -0.30 -0.61 -0.00 -0.48 0.32 117.51 117.08 1hqm h ILE 6 Ca 0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 64.86 64.58 1hqm h ILE 6 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.82 36.74 1hqm h ILE 6 CO 0.00 0.12 -0.03 0.44 -0.00 0.00 0.00 178.15 178.68 1hqm h ASP 7 N 0.65 0.55 -0.80 2.19 3.32 -1.92 -2.34 116.42 118.07 1hqm h ASP 7 Ca 0.59 -0.34 0.10 0.00 0.02 0.00 0.00 57.03 57.40 1hqm h ASP 7 Cb 1.07 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 40.39 1hqm h ASP 7 CO -0.38 0.76 0.43 0.11 -1.72 0.00 0.00 179.24 178.44 1hqm h LYS 8 N 0.33 0.69 -0.05 3.56 1.57 -0.85 -1.92 116.57 119.90 1hqm h LYS 8 Ca 0.08 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1hqm h LYS 8 Cb 0.49 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1hqm h LYS 8 CO 0.02 0.46 0.01 -0.07 -0.57 0.00 0.00 179.45 179.30 1hqm h LEU 9 N 0.71 0.07 0.00 2.94 3.38 -0.88 -1.76 115.31 119.78 1hqm h LEU 9 Ca 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1hqm h LEU 9 Cb 0.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1hqm h LEU 9 CO -0.27 0.28 0.17 0.49 0.09 0.00 0.00 178.44 179.20 1hqm n PHE 10 N -4.93 0.00 -0.10 1.13 0.99 -0.75 -0.79 117.46 113.01 1hqm n PHE 10 Ca -0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.22 1hqm n PHE 10 Cb 0.14 -0.29 -0.07 0.00 -1.00 0.00 0.00 39.48 38.26 1hqm n PHE 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hqm n GLY 11 N -1.28 -0.80 0.00 1.37 0.00 -0.68 -4.75 105.19 99.06 1hqm n GLY 11 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hqm n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hqm n MET 12 N -4.47 0.00 -0.62 1.61 2.81 0.03 -4.65 117.12 111.82 1hqm n MET 12 Ca -0.25 0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.36 1hqm n MET 12 Cb 0.55 -0.46 0.27 0.00 -0.71 0.00 0.00 33.22 32.88 1hqm n MET 12 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1hqm s VAL 13 N -0.06 1.34 0.00 2.03 -7.23 -1.24 -5.06 120.40 110.18 1hqm s VAL 13 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1hqm s VAL 13 Cb 0.00 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1hqm s VAL 13 CO 0.00 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 1hqm n ASP 14 N -5.34 0.00 -4.55 4.85 5.75 -1.26 -4.92 116.55 111.08 1hqm n ASP 14 Ca 0.13 0.00 -0.59 0.00 -0.01 0.00 0.00 54.79 54.32 1hqm n ASP 14 Cb 0.60 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.60 1hqm n ASP 14 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1hqm n SER 15 N 0.00 1.71 -0.28 -1.12 2.88 -1.26 -4.78 113.62 110.76 1hqm n SER 15 Ca 0.00 0.87 0.16 0.00 -1.33 0.00 0.00 58.87 58.57 1hqm n SER 15 Cb 0.00 -1.05 0.31 0.00 -0.75 0.00 0.00 64.21 62.72 1hqm n SER 15 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1hqm n LYS 16 N 6.21 -0.06 0.15 -1.46 4.81 -1.26 0.23 118.16 126.78 1hqm n LYS 16 Ca 0.37 1.21 0.00 0.00 -0.87 0.00 0.00 58.31 59.03 1hqm n LYS 16 Cb 0.07 -1.99 0.24 0.00 0.02 0.00 0.00 35.03 33.36 1hqm n LYS 16 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1hqm h TYR 17 N 0.00 0.00 -0.00 5.64 0.05 -2.00 -3.17 116.97 117.49 1hqm h TYR 17 Ca 0.56 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.36 1hqm h TYR 17 Cb 1.27 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.96 1hqm h TYR 17 CO -0.30 0.53 -0.49 -0.09 -1.05 0.00 0.00 178.16 176.76 1hqm h ARG 18 N 0.00 -0.59 -0.47 4.88 2.43 0.26 -2.01 114.38 118.88 1hqm h ARG 18 Ca -0.01 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1hqm h ARG 18 Cb 0.96 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.54 1hqm h ARG 18 CO 0.07 -0.39 -0.25 1.25 -1.51 0.00 0.00 179.97 179.14 1hqm h LEU 19 N -0.61 -0.85 -1.61 3.80 5.85 -1.51 0.32 115.31 120.70 1hqm h LEU 19 Ca 0.01 0.18 0.37 0.00 0.84 0.00 0.00 57.88 59.28 1hqm h LEU 19 Cb 0.66 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1hqm h LEU 19 CO -0.33 -0.27 0.85 0.74 -0.34 0.00 0.00 178.44 179.10 1hqm h THR 20 N -0.15 0.32 0.37 1.05 2.02 -1.42 0.10 112.91 115.21 1hqm h THR 20 Ca 0.22 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1hqm h THR 20 Cb 0.49 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1hqm h THR 20 CO -0.56 0.03 -0.18 0.58 0.37 0.00 0.00 175.52 175.76 1hqm h VAL 21 N 0.15 0.00 -0.77 3.16 2.07 0.31 -2.17 116.25 119.01 1hqm h VAL 21 Ca 0.69 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1hqm h VAL 21 Cb 2.27 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.94 1hqm h VAL 21 CO -0.23 0.00 -0.50 0.58 0.02 0.00 0.00 177.57 177.44 1hqm h VAL 22 N -0.97 0.00 -0.98 2.57 2.07 -0.19 1.12 116.25 119.87 1hqm h VAL 22 Ca -0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1hqm h VAL 22 Cb 0.38 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 1hqm h VAL 22 CO 0.08 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.87 1hqm h VAL 23 N -0.06 0.81 0.51 2.57 2.07 -1.23 0.73 116.25 121.65 1hqm h VAL 23 Ca 0.12 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1hqm h VAL 23 Cb 0.38 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1hqm h VAL 23 CO -0.76 0.15 -0.25 0.00 0.02 0.00 0.00 177.57 176.74 1hqm h ALA 24 N 1.59 -0.69 -0.46 1.67 0.00 0.94 0.50 119.26 122.81 1hqm h ALA 24 Ca 0.52 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1hqm h ALA 24 Cb 0.72 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1hqm h ALA 24 CO -0.29 -0.78 0.30 -0.22 0.00 0.00 0.00 179.25 178.26 1hqm h LYS 25 N -0.91 0.60 0.19 0.00 3.11 0.16 0.60 116.57 120.32 1hqm h LYS 25 Ca -0.07 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1hqm h LYS 25 Cb 0.61 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1hqm h LYS 25 CO 0.12 0.40 -0.18 -0.09 -2.81 0.00 0.00 179.45 176.89 1hqm h ARG 26 N 0.62 -0.38 -0.41 1.90 9.65 0.49 0.24 114.38 126.49 1hqm h ARG 26 Ca 0.17 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.12 1hqm h ARG 26 Cb -0.07 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1hqm h ARG 26 CO -0.04 -0.25 0.17 0.00 2.80 0.00 0.00 179.97 182.65 1hqm h ALA 27 N 0.37 0.50 0.00 2.80 0.00 0.23 1.91 119.26 125.07 1hqm h ALA 27 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hqm h ALA 27 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1hqm h ALA 27 CO -0.03 -0.21 0.00 0.94 0.00 0.00 0.00 179.25 179.95 1hqm n GLN 28 N -4.97 0.57 0.00 0.00 7.27 0.21 -2.19 117.38 118.27 1hqm n GLN 28 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1hqm n GLN 28 Cb 0.13 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.52 1hqm n GLN 28 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1hqm n GLN 29 N 0.34 0.00 0.00 3.69 -0.06 0.23 -4.90 117.38 116.68 1hqm n GLN 29 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1hqm n GLN 29 Cb 0.18 -0.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.98 1hqm n GLN 29 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1hqm n LEU 30 N -1.94 0.00 -3.60 1.69 7.94 0.59 -4.18 117.00 117.49 1hqm n LEU 30 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1hqm n LEU 30 Cb 0.05 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.91 1hqm n LEU 30 CO 0.00 0.00 1.73 0.18 -1.11 0.00 0.00 177.39 178.19 1hqm n LEU 31 N 0.00 2.32 0.00 -1.96 4.32 -1.26 -3.18 117.00 117.24 1hqm n LEU 31 Ca 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 56.01 53.86 1hqm n LEU 31 Cb 0.00 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 1hqm n LEU 31 CO 0.00 -1.37 -0.32 -1.14 -1.22 0.00 0.00 177.39 173.34 1hqm n ARG 32 N 7.60 0.00 0.01 3.23 3.00 -1.26 -4.81 116.66 124.43 1hqm n ARG 32 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1hqm n ARG 32 Cb 0.42 -0.80 0.00 0.00 0.00 0.00 0.00 32.46 32.08 1hqm n ARG 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1hqm n HIS 33 N -2.16 -0.11 0.00 -0.14 8.25 -1.19 -5.04 115.22 114.83 1hqm n HIS 33 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1hqm n HIS 33 Cb 0.32 0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.81 1hqm n HIS 33 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1hqm n ARG 34 N -2.67 0.00 0.00 -0.41 3.00 -1.25 -4.66 116.66 110.67 1hqm n ARG 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1hqm n ARG 34 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.58 1hqm n ARG 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1hqm n PHE 35 N 0.00 0.00 -0.78 -1.55 3.72 -1.26 -4.81 117.46 112.78 1hqm n PHE 35 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1hqm n PHE 35 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1hqm n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1hqm n LYS 36 N 0.00 1.52 -0.00 -1.08 -0.00 -1.26 -3.01 118.16 114.33 1hqm n LYS 36 Ca 0.00 -0.78 0.03 0.00 -0.00 0.00 0.00 58.31 57.55 1hqm n LYS 36 Cb 0.00 -1.45 -0.04 0.00 -0.00 0.00 0.00 35.03 33.54 1hqm n LYS 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1hqm n ASN 37 N 1.37 2.19 -3.98 -5.58 3.02 -1.26 -5.07 115.26 105.95 1hqm n ASN 37 Ca 0.20 -0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.11 1hqm n ASN 37 Cb 0.61 1.14 0.03 0.00 -0.61 0.00 0.00 39.78 40.94 1hqm n ASN 37 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1hqm n THR 38 N -1.44 0.00 -0.81 3.41 -1.04 -1.16 -4.96 114.28 108.28 1hqm n THR 38 Ca -0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1hqm n THR 38 Cb 0.11 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1hqm n THR 38 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1hqm n VAL 39 N -3.47 0.00 -0.02 12.58 0.31 -1.26 -4.87 118.33 121.59 1hqm n VAL 39 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1hqm n VAL 39 Cb 0.70 0.22 -0.14 0.00 -0.91 0.00 0.00 33.84 33.71 1hqm n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hqm n LEU 40 N 0.00 0.19 0.00 7.52 4.77 -1.26 -4.74 117.00 123.48 1hqm n LEU 40 Ca 0.00 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1hqm n LEU 40 Cb 0.01 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1hqm n LEU 40 CO 0.00 0.14 0.00 -0.62 -1.33 0.00 0.00 177.39 175.58 1hqm n GLU 41 N -2.52 0.00 0.00 3.23 -0.58 -1.26 -3.30 120.64 116.21 1hqm n GLU 41 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1hqm n GLU 41 Cb 0.76 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.63 1hqm n GLU 41 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1hqm n PRO 42 N -3.32 2.23 0.10 3.49 -0.04 -1.26 -4.39 135.00 131.80 1hqm n PRO 42 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1hqm n PRO 42 Cb 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 33.66 1hqm n PRO 42 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1hqm n GLU 43 N 0.00 0.05 -2.91 0.54 0.00 -1.26 -2.42 120.64 114.63 1hqm n GLU 43 Ca 0.00 0.45 -0.36 0.00 0.00 0.00 0.00 57.16 57.25 1hqm n GLU 43 Cb 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 31.44 29.46 1hqm n GLU 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1hqm n GLU 44 N -1.73 4.25 -4.65 3.44 0.28 -1.21 -5.01 120.64 116.01 1hqm n GLU 44 Ca -0.00 -4.70 -0.33 0.00 -0.16 0.00 0.00 57.16 51.97 1hqm n GLU 44 Cb 0.31 -2.39 -0.14 0.00 1.43 0.00 0.00 31.44 30.66 1hqm n GLU 44 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1hqm s ARG 45 N -3.51 3.48 -0.85 3.44 1.81 -1.02 -4.17 118.95 118.14 1hqm s ARG 45 Ca 0.40 -0.63 -0.25 0.00 -1.72 0.00 0.00 55.73 53.53 1hqm s ARG 45 Cb 0.18 -2.73 -0.07 0.00 -0.45 0.00 0.00 34.95 31.88 1hqm s ARG 45 CO -0.06 0.23 2.09 -2.14 -0.68 0.00 0.00 175.30 174.74 1hqm s PRO 46 N 0.35 2.25 -0.08 3.54 0.02 -1.26 -4.95 135.00 134.87 1hqm s PRO 46 Ca -0.09 0.03 -0.10 0.00 0.02 0.00 0.00 61.00 60.86 1hqm s PRO 46 Cb -0.15 -4.94 -0.05 0.00 0.02 0.00 0.00 34.50 29.38 1hqm s PRO 46 CO 0.05 -3.68 0.24 0.15 -0.33 0.00 0.00 177.00 173.43 1hqm s LYS 47 N 7.61 3.61 -0.13 5.54 1.02 -1.26 -3.80 119.74 132.34 1hqm s LYS 47 Ca 0.77 0.07 -0.05 0.00 0.02 0.00 0.00 55.97 56.78 1hqm s LYS 47 Cb -0.09 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1hqm s LYS 47 CO 0.03 0.75 0.05 1.41 -0.92 0.00 0.00 175.35 176.68 1hqm s MET 48 N -1.05 3.43 0.36 1.68 -2.45 0.26 -4.78 119.30 116.75 1hqm s MET 48 Ca 0.18 -0.32 -0.17 0.00 -1.25 0.00 0.00 55.69 54.13 1hqm s MET 48 Cb -0.14 -3.03 -0.10 0.00 1.25 0.00 0.00 34.83 32.82 1hqm s MET 48 CO 0.07 0.58 0.81 1.03 1.05 0.00 0.00 175.02 178.56 1hqm s ARG 49 N -0.50 4.07 -0.32 4.11 0.52 -1.26 -1.22 118.95 124.35 1hqm s ARG 49 Ca 0.10 0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 56.02 1hqm s ARG 49 Cb -0.12 -2.35 0.19 0.00 0.52 0.00 0.00 34.95 33.19 1hqm s ARG 49 CO 0.02 0.09 1.05 0.99 0.02 0.00 0.00 175.30 177.47 1hqm s THR 50 N -2.06 -0.20 0.00 0.02 2.01 -0.07 -4.93 115.64 110.41 1hqm s THR 50 Ca 0.57 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1hqm s THR 50 Cb -0.10 -0.01 0.00 0.00 0.01 0.00 0.00 72.50 72.40 1hqm s THR 50 CO 0.16 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.09 1hqm n LEU 51 N 3.74 0.00 -0.20 4.42 -0.00 -1.26 -1.26 117.00 122.45 1hqm n LEU 51 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1hqm n LEU 51 Cb 0.63 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.12 1hqm n LEU 51 CO -0.12 0.00 0.78 1.05 -0.00 0.00 0.00 177.39 179.10 1hqm h GLU 52 N 0.00 0.04 0.00 1.47 -0.00 -2.01 -3.47 114.58 110.61 1hqm h GLU 52 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1hqm h GLU 52 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.74 1hqm h GLU 52 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 179.01 179.44 1hqm n GLY 53 N -1.39 -0.54 3.94 1.06 0.00 -0.39 -5.16 105.19 102.71 1hqm n GLY 53 Ca 0.07 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1hqm n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqm s LEU 54 N 0.00 2.79 0.00 0.99 1.02 -1.25 -0.89 118.68 121.34 1hqm s LEU 54 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.42 1hqm s LEU 54 Cb 0.00 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.53 1hqm s LEU 54 CO 0.00 -2.00 0.00 -1.22 0.02 0.00 0.00 176.35 173.15 1hqm n TYR 55 N -3.18 0.00 -0.88 0.29 0.53 -0.35 -4.86 117.16 108.71 1hqm n TYR 55 Ca 0.11 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.67 1hqm n TYR 55 Cb 0.60 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.95 1hqm n TYR 55 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1hqm n ASP 56 N 0.00 -4.82 -4.49 7.72 9.92 -1.26 -0.57 116.55 123.05 1hqm n ASP 56 Ca 0.00 0.13 -0.33 0.00 -0.53 0.00 0.00 54.79 54.06 1hqm n ASP 56 Cb 0.00 -0.63 -0.13 0.00 -0.64 0.00 0.00 41.12 39.73 1hqm n ASP 56 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1hqm s ASP 57 N -0.88 4.14 0.00 -2.24 1.47 -1.25 -4.50 116.67 113.41 1hqm s ASP 57 Ca 0.35 -0.17 0.00 0.00 1.18 0.00 0.00 52.55 53.91 1hqm s ASP 57 Cb -0.11 -0.92 0.00 0.00 -0.34 0.00 0.00 42.92 41.55 1hqm s ASP 57 CO 0.70 0.35 0.54 -2.65 0.68 0.00 0.00 175.17 174.79 1hqm n PRO 58 N 2.31 0.50 -3.58 2.11 -0.02 -1.26 -4.66 135.00 130.41 1hqm n PRO 58 Ca -0.17 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.90 1hqm n PRO 58 Cb 0.52 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.68 1hqm n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1hqm s ASN 59 N 1.08 5.79 0.00 2.55 2.47 -1.26 -5.00 114.94 120.58 1hqm s ASN 59 Ca 0.00 -2.78 0.00 0.00 0.42 0.00 0.00 52.86 50.50 1hqm s ASN 59 Cb 0.00 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1hqm s ASN 59 CO 0.00 -0.45 0.43 0.00 -3.72 0.00 0.00 177.10 173.37 1hqm n ALA 60 N 3.68 0.00 -0.38 1.71 0.00 -1.26 0.10 120.51 124.35 1hqm n ALA 60 Ca 0.10 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.84 1hqm n ALA 60 Cb 0.41 0.22 0.58 0.00 0.00 0.00 0.00 19.45 20.65 1hqm n ALA 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1hqm h VAL 61 N 0.00 0.28 -0.46 0.00 -1.51 -1.88 -0.94 116.25 111.73 1hqm h VAL 61 Ca 0.00 -0.08 0.06 0.00 -1.23 0.00 0.00 66.70 65.45 1hqm h VAL 61 Cb 0.00 0.04 -0.09 0.00 -2.13 0.00 0.00 31.29 29.11 1hqm h VAL 61 CO 0.00 0.04 -0.52 0.74 -1.23 0.00 0.00 177.57 176.60 1hqm h THR 62 N 0.22 0.03 -0.33 7.19 2.02 -0.74 0.54 112.91 121.84 1hqm h THR 62 Ca 0.73 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.89 1hqm h THR 62 Cb 2.07 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1hqm h THR 62 CO -0.41 0.00 0.14 -0.50 0.37 0.00 0.00 175.52 175.12 1hqm h TRP 63 N -0.35 0.49 0.00 3.16 4.06 -1.20 -3.25 115.95 118.87 1hqm h TRP 63 Ca 0.10 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1hqm h TRP 63 Cb 0.58 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1hqm h TRP 63 CO -0.72 0.46 0.00 0.00 -3.56 0.00 0.00 178.44 174.61 1hqm n ALA 64 N -2.27 0.00 -0.38 1.49 0.00 0.04 0.79 120.51 120.18 1hqm n ALA 64 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1hqm n ALA 64 Cb 0.13 0.21 0.06 0.00 0.00 0.00 0.00 19.45 19.85 1hqm n ALA 64 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1hqm h MET 65 N 0.00 -0.00 0.00 0.00 2.86 -1.28 0.77 114.93 117.28 1hqm h MET 65 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hqm h MET 65 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1hqm h MET 65 CO 0.00 -0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 1hqm n LYS 66 N -5.51 0.08 -0.03 1.72 5.02 -0.96 -0.59 118.16 117.89 1hqm n LYS 66 Ca 0.11 0.28 -0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1hqm n LYS 66 Cb 0.42 -1.63 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 1hqm n LYS 66 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1hqm n GLU 67 N -1.78 0.64 0.02 1.97 2.13 0.24 -3.76 120.64 120.10 1hqm n GLU 67 Ca 0.04 0.25 -0.12 0.00 0.66 0.00 0.00 57.16 57.98 1hqm n GLU 67 Cb 0.22 -1.75 -0.09 0.00 0.27 0.00 0.00 31.44 30.09 1hqm n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1hqm h LEU 68 N 0.00 -0.09 0.00 4.31 5.85 0.30 -2.64 115.31 123.04 1hqm h LEU 68 Ca -0.32 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 57.93 1hqm h LEU 68 Cb 2.05 0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.10 1hqm h LEU 68 CO 0.07 0.45 0.05 -0.11 -0.34 0.00 0.00 178.44 178.57 1hqm n LEU 69 N -4.88 0.00 0.00 2.25 7.94 0.25 -3.17 117.00 119.39 1hqm n LEU 69 Ca -0.08 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1hqm n LEU 69 Cb 0.28 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1hqm n LEU 69 CO 0.31 -0.29 0.10 0.41 -1.11 0.00 0.00 177.39 176.80 1hqm n THR 70 N -1.27 0.00 0.00 1.96 -1.04 -0.99 -5.04 114.28 107.90 1hqm n THR 70 Ca 0.00 0.45 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1hqm n THR 70 Cb 0.05 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1hqm n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqm n GLY 71 N 1.10 -0.04 0.00 3.41 0.00 -1.19 -5.12 105.19 103.35 1hqm n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hqm n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqm n ARG 72 N -1.60 1.59 -0.15 1.61 5.12 -1.26 -4.91 116.66 117.06 1hqm n ARG 72 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 1hqm n ARG 72 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 1hqm n ARG 72 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1hqm n LEU 73 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.99 117.00 116.07 1hqm n LEU 73 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1hqm n LEU 73 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1hqm n LEU 73 CO 0.00 -1.03 0.00 0.49 -1.33 0.00 0.00 177.39 175.52 1hqm n PHE 74 N -1.49 0.00 -3.64 -1.77 3.01 -1.26 -5.20 117.46 107.11 1hqm n PHE 74 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1hqm n PHE 74 Cb 0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1hqm n PHE 74 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1hqm s PHE 75 N -2.00 -0.24 0.00 1.38 -0.12 -1.26 -5.09 117.98 110.65 1hqm s PHE 75 Ca 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 1hqm s PHE 75 Cb 0.00 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1hqm s PHE 75 CO 0.00 -0.85 0.00 0.41 -0.05 0.00 0.00 175.22 174.73 1hqm n GLY 76 N -0.32 0.16 2.84 1.99 0.00 -1.26 -4.80 105.19 103.80 1hqm n GLY 76 Ca -0.13 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1hqm n GLY 76 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hqm n GLU 77 N 0.00 3.84 -4.58 1.61 4.07 -1.26 -5.03 120.64 119.29 1hqm n GLU 77 Ca 0.00 -4.80 -0.27 0.00 -0.06 0.00 0.00 57.16 52.03 1hqm n GLU 77 Cb 0.00 -2.31 -0.11 0.00 -0.06 0.00 0.00 31.44 28.97 1hqm n GLU 77 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1hqm s ASN 78 N -2.84 3.80 -1.52 4.31 4.22 -1.26 -4.66 114.94 116.99 1hqm s ASN 78 Ca 0.46 -1.27 -0.06 0.00 -2.14 0.00 0.00 52.86 49.85 1hqm s ASN 78 Cb 0.25 -0.37 0.01 0.00 1.28 0.00 0.00 41.25 42.42 1hqm s ASN 78 CO -0.13 -0.31 0.67 0.18 -2.04 0.00 0.00 177.10 175.47 1hqm n LEU 79 N -0.87 -2.66 -0.08 3.54 4.77 -1.26 -4.80 117.00 115.65 1hqm n LEU 79 Ca -0.05 -0.33 0.03 0.00 -0.03 0.00 0.00 56.01 55.63 1hqm n LEU 79 Cb 0.65 -2.91 0.05 0.00 -2.33 0.00 0.00 43.42 38.88 1hqm n LEU 79 CO 0.46 0.27 0.16 0.55 -1.33 0.00 0.00 177.39 177.51 1hqm n VAL 80 N -4.53 -0.09 -2.28 4.08 3.14 -1.26 -3.43 118.33 113.96 1hqm n VAL 80 Ca -0.09 0.49 -0.34 0.00 -2.96 0.00 0.00 64.34 61.44 1hqm n VAL 80 Cb 0.61 -0.70 -0.04 0.00 -1.06 0.00 0.00 33.84 32.65 1hqm n VAL 80 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1hqm s PRO 81 N -5.06 3.10 0.31 1.45 0.04 -1.26 -4.74 135.00 128.83 1hqm s PRO 81 Ca -0.03 -1.50 0.08 0.00 0.04 0.00 0.00 61.00 59.59 1hqm s PRO 81 Cb 0.06 -5.36 0.83 0.00 0.04 0.00 0.00 34.50 30.08 1hqm s PRO 81 CO 0.17 -3.29 1.71 0.93 0.04 0.00 0.00 177.00 176.57 1hqm h GLU 82 N 8.87 0.49 0.24 4.56 5.08 -1.94 1.85 114.58 133.74 1hqm h GLU 82 Ca 0.31 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1hqm h GLU 82 Cb 0.91 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1hqm h GLU 82 CO 1.32 0.32 -0.46 -0.44 -1.00 0.00 0.00 179.01 178.75 1hqm h ASP 83 N 0.51 -1.35 0.00 1.42 3.32 -1.90 0.46 116.42 118.88 1hqm h ASP 83 Ca 0.62 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.80 1hqm h ASP 83 Cb 1.18 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1hqm h ASP 83 CO -0.50 -0.53 0.00 0.54 -1.72 0.00 0.00 179.24 177.03 1hqm n ARG 84 N -5.13 0.56 0.03 3.56 1.74 0.18 -0.81 116.66 116.79 1hqm n ARG 84 Ca -0.09 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1hqm n ARG 84 Cb 0.38 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 1hqm n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1hqm h LEU 85 N 0.00 0.00 0.00 0.55 5.85 0.72 -2.95 115.31 119.48 1hqm h LEU 85 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1hqm h LEU 85 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1hqm h LEU 85 CO 0.00 0.66 -1.91 0.00 -0.34 0.00 0.00 178.44 176.85 1hqm n GLN 86 N -2.95 1.00 0.05 1.25 1.13 -0.19 -4.40 117.38 113.27 1hqm n GLN 86 Ca -0.10 -0.08 -0.14 0.00 -1.94 0.00 0.00 57.00 54.74 1hqm n GLN 86 Cb 0.88 -1.39 -0.04 0.00 0.11 0.00 0.00 30.24 29.79 1hqm n GLN 86 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1hqm h LYS 87 N 0.00 0.48 -0.03 -1.09 5.09 -1.12 -2.62 116.57 117.27 1hqm h LYS 87 Ca -0.21 -0.48 0.01 0.00 0.09 0.00 0.00 60.65 60.06 1hqm h LYS 87 Cb 1.36 0.13 -0.00 0.00 0.10 0.00 0.00 32.23 33.82 1hqm h LYS 87 CO 0.01 1.13 0.20 1.05 -2.09 0.00 0.00 179.45 179.74 1hqm h GLU 88 N 0.28 0.00 -0.17 0.07 4.11 -1.72 1.08 114.58 118.23 1hqm h GLU 88 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 1hqm h GLU 88 Cb 1.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1hqm h GLU 88 CO 0.16 0.00 -0.22 0.52 0.07 0.00 0.00 179.01 179.54 1hqm h MET 89 N 0.00 0.30 -0.22 1.06 2.86 -1.68 -1.29 114.93 115.95 1hqm h MET 89 Ca 0.01 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1hqm h MET 89 Cb 0.41 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1hqm h MET 89 CO -0.00 0.51 -0.09 1.49 1.06 0.00 0.00 176.91 179.89 1hqm h GLU 90 N 0.27 0.35 0.00 1.72 4.81 0.11 -1.48 114.58 120.36 1hqm h GLU 90 Ca 0.05 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1hqm h GLU 90 Cb 0.55 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1hqm h GLU 90 CO 0.04 0.45 0.03 -0.09 -0.73 0.00 0.00 179.01 178.71 1hqm h ARG 91 N 0.33 0.00 -2.13 1.92 2.43 -1.15 -3.37 114.38 112.41 1hqm h ARG 91 Ca 0.07 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.91 1hqm h ARG 91 Cb 0.36 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.58 1hqm h ARG 91 CO 0.02 0.00 -0.64 -0.51 -1.51 0.00 0.00 179.97 177.33 1hqm s LEU 92 N -5.54 -0.24 0.00 3.80 1.02 -0.56 -5.08 118.68 112.09 1hqm s LEU 92 Ca -0.04 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.31 1hqm s LEU 92 Cb 0.10 0.52 0.00 0.00 0.02 0.00 0.00 46.19 46.83 1hqm s LEU 92 CO 0.32 -0.38 0.00 0.00 0.02 0.00 0.00 176.35 176.31 1hqm n TYR 93 N 5.24 0.00 0.00 0.29 0.18 -1.26 -4.89 117.16 116.72 1hqm n TYR 93 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 1hqm n TYR 93 Cb 0.46 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 39.32 1hqm n TYR 93 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1hqm n PRO 94 N 0.93 2.34 -0.06 -3.48 -0.04 -1.26 -4.81 135.00 128.63 1hqm n PRO 94 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1hqm n PRO 94 Cb 0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1hqm n PRO 94 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1hqm n THR 95 N 0.00 0.00 0.00 0.52 5.66 -1.26 -4.89 114.28 114.31 1hqm n THR 95 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1hqm n THR 95 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1hqm n THR 95 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1hqm n GLU 96 N -0.57 0.00 -3.71 1.09 4.07 -1.26 -4.79 120.64 115.48 1hqm n GLU 96 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1hqm n GLU 96 Cb 0.03 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.39 1hqm n GLU 96 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1hqm s GLU 97 N 4.01 1.51 0.00 5.31 2.12 -1.26 -5.26 118.70 125.13 1hqm s GLU 97 Ca 0.00 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1hqm s GLU 97 Cb 0.00 0.56 0.00 0.00 0.26 0.00 0.00 34.13 34.95 1hqm s GLU 97 CO 0.00 -0.68 0.00 0.39 -0.54 0.00 0.00 175.26 174.43