#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hq2 s VAL 2 N 0.00 5.01 -0.03 12.58 1.01 -1.26 -0.71 120.40 137.00 1hq2 s VAL 2 Ca 0.00 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 1hq2 s VAL 2 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1hq2 s VAL 2 CO 0.00 -0.00 0.29 0.00 0.00 0.00 0.00 175.10 175.39 1hq2 s ALA 3 N 2.45 3.80 -0.21 5.51 0.00 0.55 -0.13 121.76 133.73 1hq2 s ALA 3 Ca 0.24 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1hq2 s ALA 3 Cb -0.15 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 1hq2 s ALA 3 CO 0.10 0.58 -0.08 0.71 0.00 0.00 0.00 175.76 177.07 1hq2 s TYR 4 N -1.16 2.92 -0.15 0.00 2.02 -0.08 -0.36 117.35 120.54 1hq2 s TYR 4 Ca 0.23 -1.06 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 1hq2 s TYR 4 Cb -0.14 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1hq2 s TYR 4 CO 0.12 -0.58 -0.17 0.42 -1.57 0.00 0.00 175.55 173.76 1hq2 s ILE 5 N 1.40 2.52 0.02 2.71 1.01 -0.04 -0.34 121.20 128.49 1hq2 s ILE 5 Ca 0.05 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 1hq2 s ILE 5 Cb -0.14 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.23 1hq2 s ILE 5 CO -0.05 0.53 0.63 0.00 0.00 0.00 0.00 174.94 176.04 1hq2 s ALA 6 N 0.75 3.48 -0.14 9.38 0.00 0.10 -0.91 121.76 134.42 1hq2 s ALA 6 Ca -0.07 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1hq2 s ALA 6 Cb -0.16 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 1hq2 s ALA 6 CO 0.01 0.18 -0.17 0.42 0.00 0.00 0.00 175.76 176.19 1hq2 s ILE 7 N -0.29 2.59 0.01 0.00 1.01 0.27 -1.31 121.20 123.49 1hq2 s ILE 7 Ca 0.32 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1hq2 s ILE 7 Cb -0.19 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1hq2 s ILE 7 CO 0.19 0.53 -0.10 -0.83 0.00 0.00 0.00 174.94 174.73 1hq2 s GLY 8 N 0.61 0.52 -0.20 6.18 0.00 -0.45 -1.31 107.32 112.68 1hq2 s GLY 8 Ca -0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 44.72 43.98 1hq2 s GLY 8 CO 0.03 -0.51 0.47 -0.45 0.00 0.00 0.00 173.10 172.64 1hq2 s SER 9 N -0.66 -0.58 -0.02 1.64 0.15 -0.68 -0.54 113.70 113.00 1hq2 s SER 9 Ca 0.01 1.04 0.03 0.00 0.70 0.00 0.00 55.95 57.72 1hq2 s SER 9 Cb -0.05 0.99 0.04 0.00 -1.71 0.00 0.00 66.02 65.29 1hq2 s SER 9 CO 0.00 -0.21 0.84 -0.46 1.20 0.00 0.00 173.24 174.62 1hq2 n ASN 10 N 4.43 0.72 -4.20 5.45 6.94 -0.48 -0.38 115.26 127.75 1hq2 n ASN 10 Ca -0.21 -1.81 -0.17 0.00 -0.02 0.00 0.00 54.58 52.37 1hq2 n ASN 10 Cb 0.55 -0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 37.73 1hq2 n ASN 10 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1hq2 s LEU 11 N -0.62 2.37 -1.27 -4.53 1.43 -1.12 -4.47 118.68 110.46 1hq2 s LEU 11 Ca 0.05 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1hq2 s LEU 11 Cb 0.04 -0.46 0.01 0.00 0.03 0.00 0.00 46.19 45.80 1hq2 s LEU 11 CO 0.00 -0.17 0.91 0.00 0.23 0.00 0.00 176.35 177.33 1hq2 n ALA 12 N 0.71 -1.91 -2.35 4.21 0.00 -1.26 -3.98 120.51 115.94 1hq2 n ALA 12 Ca -0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 1hq2 n ALA 12 Cb 0.57 -2.67 0.01 0.00 0.00 0.00 0.00 19.45 17.35 1hq2 n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hq2 n SER 13 N -3.08 -5.71 -0.29 0.00 2.88 -1.26 -4.57 113.62 101.60 1hq2 n SER 13 Ca -0.25 0.30 0.13 0.00 -1.33 0.00 0.00 58.87 57.72 1hq2 n SER 13 Cb 0.65 -3.74 0.37 0.00 -0.75 0.00 0.00 64.21 60.75 1hq2 n SER 13 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1hq2 h PRO 14 N 1.15 0.67 -0.72 -1.46 0.11 -1.86 -1.28 132.00 128.61 1hq2 h PRO 14 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1hq2 h PRO 14 Cb 0.66 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1hq2 h PRO 14 CO 0.13 0.45 0.39 1.25 -0.21 0.00 0.00 178.00 180.01 1hq2 h LEU 15 N 0.69 0.91 -0.60 2.35 5.85 -1.93 0.13 115.31 122.71 1hq2 h LEU 15 Ca 0.48 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1hq2 h LEU 15 Cb 0.79 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1hq2 h LEU 15 CO -0.23 0.75 0.19 -0.33 -0.34 0.00 0.00 178.44 178.47 1hq2 h GLU 16 N 0.99 0.93 -0.27 1.25 5.08 -1.60 -0.94 114.58 120.03 1hq2 h GLU 16 Ca 0.25 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1hq2 h GLU 16 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1hq2 h GLU 16 CO -0.04 0.83 0.16 1.96 -1.00 0.00 0.00 179.01 180.92 1hq2 h GLN 17 N 0.85 0.32 -0.62 2.33 1.08 -0.98 -0.73 115.11 117.37 1hq2 h GLN 17 Ca 0.19 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 1hq2 h GLN 17 Cb 0.28 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1hq2 h GLN 17 CO -0.01 0.21 0.01 0.28 -0.95 0.00 0.00 178.83 178.38 1hq2 h VAL 18 N 0.33 1.27 -0.78 -0.54 2.07 -0.79 0.11 116.25 117.92 1hq2 h VAL 18 Ca 0.10 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1hq2 h VAL 18 Cb -0.01 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1hq2 h VAL 18 CO -0.04 0.42 0.35 0.78 0.02 0.00 0.00 177.57 179.10 1hq2 h ASN 19 N 1.00 1.04 -0.59 0.57 2.35 -1.08 -1.39 115.58 117.48 1hq2 h ASN 19 Ca 0.18 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1hq2 h ASN 19 Cb 0.55 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1hq2 h ASN 19 CO 0.03 0.90 0.21 0.00 -1.65 0.00 0.00 177.43 176.92 1hq2 h ALA 20 N 1.18 0.77 -0.69 -0.83 0.00 -0.88 -2.24 119.26 116.56 1hq2 h ALA 20 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hq2 h ALA 20 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1hq2 h ALA 20 CO -0.03 0.41 0.46 0.00 0.00 0.00 0.00 179.25 180.09 1hq2 h ALA 21 N 1.07 0.88 -0.60 0.00 0.00 -0.36 -1.77 119.26 118.48 1hq2 h ALA 21 Ca 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1hq2 h ALA 21 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1hq2 h ALA 21 CO -0.01 0.31 0.12 -0.07 0.00 0.00 0.00 179.25 179.59 1hq2 h LEU 22 N 0.94 0.94 -0.04 0.00 3.38 -1.09 0.31 115.31 119.75 1hq2 h LEU 22 Ca 0.25 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1hq2 h LEU 22 Cb -0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1hq2 h LEU 22 CO -0.05 0.95 -0.01 0.50 0.09 0.00 0.00 178.44 179.91 1hq2 h LYS 23 N 0.89 -0.00 -0.58 1.13 3.64 -1.26 -2.22 116.57 118.15 1hq2 h LYS 23 Ca 0.18 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1hq2 h LYS 23 Cb 0.40 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1hq2 h LYS 23 CO 0.01 -0.00 0.10 0.00 -2.27 0.00 0.00 179.45 177.29 1hq2 h ALA 24 N 1.04 1.08 -0.77 5.00 0.00 -0.98 -2.51 119.26 122.13 1hq2 h ALA 24 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1hq2 h ALA 24 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1hq2 h ALA 24 CO -0.04 0.60 0.44 -0.07 0.00 0.00 0.00 179.25 180.18 1hq2 h LEU 25 N 0.88 0.93 -1.85 0.00 3.38 -0.16 -1.96 115.31 116.53 1hq2 h LEU 25 Ca 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1hq2 h LEU 25 Cb 0.37 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1hq2 h LEU 25 CO 0.01 0.73 -0.02 1.23 0.09 0.00 0.00 178.44 180.48 1hq2 h GLY 26 N 1.09 0.00 0.20 0.83 0.00 -0.97 -2.60 103.07 101.62 1hq2 h GLY 26 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1hq2 h GLY 26 CO -0.05 0.00 -0.23 1.22 0.00 0.00 0.00 176.54 177.48 1hq2 n ASP 27 N -3.13 1.05 -4.75 0.19 8.00 -0.75 -4.82 116.55 112.35 1hq2 n ASP 27 Ca -0.00 -0.93 -0.41 0.00 0.71 0.00 0.00 54.79 54.15 1hq2 n ASP 27 Cb 0.25 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1hq2 n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hq2 s ILE 28 N -2.46 2.68 0.65 0.53 1.01 -0.98 -4.96 121.20 117.67 1hq2 s ILE 28 Ca 0.25 0.58 -0.17 0.00 0.00 0.00 0.00 60.65 61.31 1hq2 s ILE 28 Cb 0.19 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 1hq2 s ILE 28 CO 0.50 0.10 1.22 -2.16 0.00 0.00 0.00 174.94 174.60 1hq2 s PRO 29 N -0.48 2.61 -1.68 2.79 0.04 -1.26 -3.28 135.00 133.74 1hq2 s PRO 29 Ca 0.58 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 1hq2 s PRO 29 Cb -0.42 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1hq2 s PRO 29 CO 0.44 -1.49 0.32 0.39 0.04 0.00 0.00 177.00 176.69 1hq2 n GLU 30 N -2.06 -3.36 -3.69 4.56 -0.58 -1.26 -4.78 120.64 109.46 1hq2 n GLU 30 Ca 0.14 0.97 -0.10 0.00 -0.42 0.00 0.00 57.16 57.74 1hq2 n GLU 30 Cb 0.50 -5.74 -0.05 0.00 -0.57 0.00 0.00 31.44 25.58 1hq2 n GLU 30 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1hq2 s SER 31 N -2.39 -0.14 -0.02 1.62 0.01 -1.21 -1.22 113.70 110.36 1hq2 s SER 31 Ca 0.16 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.77 1hq2 s SER 31 Cb -0.07 0.44 0.05 0.00 0.21 0.00 0.00 66.02 66.65 1hq2 s SER 31 CO 0.19 -0.83 0.51 -1.38 0.41 0.00 0.00 173.24 172.15 1hq2 s HIS 32 N -3.82 -0.44 0.18 2.43 -3.43 0.17 -4.80 115.29 105.58 1hq2 s HIS 32 Ca 0.04 0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 54.67 1hq2 s HIS 32 Cb 0.03 0.28 -0.08 0.00 -1.43 0.00 0.00 32.58 31.38 1hq2 s HIS 32 CO -0.11 -0.54 1.23 0.42 -2.00 0.00 0.00 174.74 173.74 1hq2 s ILE 33 N -1.52 3.50 -0.26 -5.38 1.01 -1.26 -0.54 121.20 116.75 1hq2 s ILE 33 Ca -0.11 1.24 -0.15 0.00 0.00 0.00 0.00 60.65 61.63 1hq2 s ILE 33 Cb -0.02 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.52 1hq2 s ILE 33 CO 0.05 0.18 -0.22 0.18 0.00 0.00 0.00 174.94 175.14 1hq2 n LEU 34 N 2.67 2.00 -3.69 2.97 4.77 0.82 -4.87 117.00 121.66 1hq2 n LEU 34 Ca 0.05 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1hq2 n LEU 34 Cb 0.44 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1hq2 n LEU 34 CO 0.56 0.53 0.17 -0.89 -1.33 0.00 0.00 177.39 176.43 1hq2 s THR 35 N -2.48 0.02 0.02 -5.08 2.01 -1.15 -4.99 115.64 103.99 1hq2 s THR 35 Ca -0.36 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1hq2 s THR 35 Cb 0.13 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1hq2 s THR 35 CO 0.52 -0.07 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.46 1hq2 s VAL 36 N -0.43 1.82 1.04 3.82 1.01 -1.26 -0.96 120.40 125.43 1hq2 s VAL 36 Ca -0.06 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 1hq2 s VAL 36 Cb -0.03 -1.55 0.23 0.00 0.00 0.00 0.00 36.38 35.03 1hq2 s VAL 36 CO 0.03 0.36 1.28 -0.94 0.00 0.00 0.00 175.10 175.83 1hq2 s SER 37 N -0.94 2.42 0.99 3.32 1.04 -0.18 -4.94 113.70 115.40 1hq2 s SER 37 Ca 0.09 0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.69 1hq2 s SER 37 Cb -0.09 -0.37 0.19 0.00 0.10 0.00 0.00 66.02 65.85 1hq2 s SER 37 CO 0.01 -3.17 1.15 -0.44 0.98 0.00 0.00 173.24 171.77 1hq2 s SER 38 N -4.67 2.77 -0.14 7.02 0.01 -1.26 -4.84 113.70 112.59 1hq2 s SER 38 Ca 0.74 0.84 -0.05 0.00 1.31 0.00 0.00 55.95 58.80 1hq2 s SER 38 Cb -0.05 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 1hq2 s SER 38 CO 0.54 -3.00 0.03 -0.36 0.41 0.00 0.00 173.24 170.86 1hq2 s PHE 39 N -3.25 3.20 0.05 2.43 0.08 -1.26 -4.54 117.98 114.69 1hq2 s PHE 39 Ca 0.67 0.05 0.07 0.00 0.12 0.00 0.00 56.93 57.85 1hq2 s PHE 39 Cb -0.13 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1hq2 s PHE 39 CO 0.55 0.24 -0.21 0.71 -0.10 0.00 0.00 175.22 176.41 1hq2 s TYR 40 N -0.10 1.84 -0.28 0.36 2.02 -0.59 -0.77 117.35 119.84 1hq2 s TYR 40 Ca 0.05 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 1hq2 s TYR 40 Cb -0.12 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 1hq2 s TYR 40 CO 0.02 0.10 0.13 0.50 -1.57 0.00 0.00 175.55 174.73 1hq2 s ARG 41 N -1.24 3.58 -0.02 -0.62 3.52 -0.12 -0.85 118.95 123.22 1hq2 s ARG 41 Ca 0.08 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 1hq2 s ARG 41 Cb -0.09 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1hq2 s ARG 41 CO 0.02 -0.28 -0.15 0.95 -0.81 0.00 0.00 175.30 175.03 1hq2 s THR 42 N 1.64 1.23 0.59 4.11 -4.23 0.31 -4.34 115.64 114.95 1hq2 s THR 42 Ca 0.06 -0.65 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 1hq2 s THR 42 Cb -0.16 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 1hq2 s THR 42 CO 0.06 0.35 1.19 -2.16 -0.54 0.00 0.00 174.62 173.52 1hq2 s PRO 43 N -0.25 3.02 0.36 3.99 0.04 -1.26 -0.96 135.00 139.95 1hq2 s PRO 43 Ca 0.03 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 1hq2 s PRO 43 Cb -0.07 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1hq2 s PRO 43 CO -0.00 -1.15 1.31 -1.25 0.04 0.00 0.00 177.00 175.95 1hq2 s PRO 44 N -3.36 4.23 -0.13 0.56 0.04 -1.26 -4.82 135.00 130.26 1hq2 s PRO 44 Ca 0.76 2.20 -0.21 0.00 0.04 0.00 0.00 61.00 63.79 1hq2 s PRO 44 Cb -0.29 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1hq2 s PRO 44 CO 0.32 -0.29 0.62 -1.17 0.04 0.00 0.00 177.00 176.52 1hq2 s LEU 45 N -2.01 4.24 0.00 -3.56 2.96 -1.26 -4.87 118.68 114.18 1hq2 s LEU 45 Ca 0.51 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1hq2 s LEU 45 Cb -0.39 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1hq2 s LEU 45 CO 0.52 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 176.00 1hq2 n GLY 46 N 3.42 0.85 3.74 7.98 0.00 -1.26 -4.88 105.19 115.05 1hq2 n GLY 46 Ca -0.03 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1hq2 n GLY 46 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hq2 n PRO 47 N 0.00 2.45 -0.03 1.61 -0.02 -1.26 -4.90 135.00 132.85 1hq2 n PRO 47 Ca 0.00 0.86 0.12 0.00 -2.02 0.00 0.00 63.50 62.47 1hq2 n PRO 47 Cb 0.00 -2.53 0.27 0.00 -0.02 0.00 0.00 33.50 31.22 1hq2 n PRO 47 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1hq2 n GLN 48 N 0.60 2.09 -1.99 -0.52 1.13 -1.26 -4.38 117.38 113.06 1hq2 n GLN 48 Ca 0.03 -1.60 -0.37 0.00 -1.94 0.00 0.00 57.00 53.12 1hq2 n GLN 48 Cb 0.37 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 1hq2 n GLN 48 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1hq2 n ASP 49 N 0.91 7.33 -3.67 1.08 5.75 -1.26 -4.88 116.55 121.81 1hq2 n ASP 49 Ca 0.16 -3.45 -0.11 0.00 -0.01 0.00 0.00 54.79 51.38 1hq2 n ASP 49 Cb 0.50 -1.21 -0.05 0.00 -1.03 0.00 0.00 41.12 39.33 1hq2 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hq2 s GLN 50 N -2.75 0.99 0.88 0.11 -2.07 -1.26 -4.99 119.66 110.56 1hq2 s GLN 50 Ca 0.51 -0.61 -0.11 0.00 -1.82 0.00 0.00 55.36 53.33 1hq2 s GLN 50 Cb 0.30 0.43 0.12 0.00 -1.09 0.00 0.00 33.01 32.77 1hq2 s GLN 50 CO -0.22 -0.36 1.09 -2.14 -1.32 0.00 0.00 175.29 172.34 1hq2 s PRO 51 N -3.32 1.40 0.57 9.60 0.02 -1.26 -4.84 135.00 137.17 1hq2 s PRO 51 Ca 0.00 0.84 -0.20 0.00 0.02 0.00 0.00 61.00 61.66 1hq2 s PRO 51 Cb 0.01 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1hq2 s PRO 51 CO -0.08 -2.15 1.24 -0.51 -0.33 0.00 0.00 177.00 175.16 1hq2 s ASP 52 N -3.45 5.30 0.20 2.53 1.01 -1.26 -4.56 116.67 116.44 1hq2 s ASP 52 Ca 0.63 2.47 -0.09 0.00 0.71 0.00 0.00 52.55 56.27 1hq2 s ASP 52 Cb -0.18 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.08 1hq2 s ASP 52 CO 0.57 -1.52 0.52 -0.31 0.21 0.00 0.00 175.17 174.63 1hq2 s TYR 53 N -1.51 3.46 -0.18 4.23 1.51 -0.13 -4.55 117.35 120.18 1hq2 s TYR 53 Ca 0.75 0.85 -0.19 0.00 -1.01 0.00 0.00 57.07 57.46 1hq2 s TYR 53 Cb -0.33 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1hq2 s TYR 53 CO 0.37 0.32 0.56 -1.17 -1.11 0.00 0.00 175.55 174.51 1hq2 s LEU 54 N -2.66 4.18 0.05 -1.29 0.20 0.49 -0.53 118.68 119.11 1hq2 s LEU 54 Ca 0.45 0.77 0.09 0.00 0.69 0.00 0.00 54.13 56.13 1hq2 s LEU 54 Cb -0.12 -2.78 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 1hq2 s LEU 54 CO 0.21 -0.18 -0.25 0.20 -0.29 0.00 0.00 176.35 176.05 1hq2 s ASN 55 N 1.07 3.30 0.31 3.68 -0.87 -0.03 -1.69 114.94 120.70 1hq2 s ASN 55 Ca 0.26 -0.57 -0.12 0.00 -1.57 0.00 0.00 52.86 50.87 1hq2 s ASN 55 Cb -0.16 -0.35 0.01 0.00 -0.02 0.00 0.00 41.25 40.74 1hq2 s ASN 55 CO 0.10 0.25 0.58 0.00 -2.57 0.00 0.00 177.10 175.47 1hq2 s ALA 56 N -0.84 -0.24 0.04 0.60 0.00 -0.42 -1.54 121.76 119.35 1hq2 s ALA 56 Ca 0.12 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1hq2 s ALA 56 Cb -0.10 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1hq2 s ALA 56 CO 0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 175.76 174.84 1hq2 s ALA 57 N -3.37 0.41 0.02 0.00 0.00 -1.26 -0.56 121.76 117.00 1hq2 s ALA 57 Ca 0.21 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1hq2 s ALA 57 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1hq2 s ALA 57 CO 0.12 -0.14 -0.09 0.54 0.00 0.00 0.00 175.76 176.20 1hq2 s VAL 58 N -1.92 0.65 -0.25 0.00 0.11 -0.09 -1.01 120.40 117.90 1hq2 s VAL 58 Ca -0.09 -0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 58.19 1hq2 s VAL 58 Cb -0.06 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1hq2 s VAL 58 CO -0.02 -0.06 0.08 0.00 -3.33 0.00 0.00 175.10 171.77 1hq2 s ALA 59 N -0.71 3.22 -0.21 1.54 0.00 -0.13 -0.86 121.76 124.60 1hq2 s ALA 59 Ca -0.02 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.85 1hq2 s ALA 59 Cb -0.06 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1hq2 s ALA 59 CO 0.00 -0.43 -0.14 -1.17 0.00 0.00 0.00 175.76 174.02 1hq2 s LEU 60 N 1.52 2.63 0.03 0.00 2.96 0.51 -0.13 118.68 126.19 1hq2 s LEU 60 Ca 0.06 -0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 52.92 1hq2 s LEU 60 Cb -0.15 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1hq2 s LEU 60 CO 0.04 -0.05 1.06 -0.70 -1.32 0.00 0.00 176.35 175.38 1hq2 s GLU 61 N 1.30 4.52 -0.04 1.98 2.56 0.30 -0.33 118.70 128.99 1hq2 s GLU 61 Ca 0.02 1.56 -0.11 0.00 0.00 0.00 0.00 54.97 56.44 1hq2 s GLU 61 Cb -0.15 -3.41 0.02 0.00 2.00 0.00 0.00 34.13 32.59 1hq2 s GLU 61 CO -0.09 -0.11 0.26 -0.08 -0.56 0.00 0.00 175.26 174.68 1hq2 s THR 62 N 0.95 0.04 -2.17 -1.70 -1.32 0.11 -0.65 115.64 110.90 1hq2 s THR 62 Ca 0.54 -0.36 0.21 0.00 -1.21 0.00 0.00 61.69 60.87 1hq2 s THR 62 Cb -0.24 -0.49 0.38 0.00 -1.51 0.00 0.00 72.50 70.63 1hq2 s THR 62 CO 0.29 -0.20 1.33 -1.54 -2.21 0.00 0.00 174.62 172.29 1hq2 n SER 63 N 1.89 3.27 -4.78 8.08 3.41 -0.36 -0.83 113.62 124.31 1hq2 n SER 63 Ca -0.19 -1.94 -0.34 0.00 -0.26 0.00 0.00 58.87 56.14 1hq2 n SER 63 Cb 0.57 -0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1hq2 n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hq2 s LEU 64 N -1.36 3.63 0.55 1.04 1.43 -1.26 -5.03 118.68 117.68 1hq2 s LEU 64 Ca 0.35 2.07 -0.20 0.00 -1.03 0.00 0.00 54.13 55.31 1hq2 s LEU 64 Cb 0.20 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 1hq2 s LEU 64 CO 0.28 -1.29 1.22 0.00 0.23 0.00 0.00 176.35 176.79 1hq2 s ALA 65 N -2.03 2.69 0.25 4.21 0.00 -1.26 -4.81 121.76 120.81 1hq2 s ALA 65 Ca 0.70 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.67 1hq2 s ALA 65 Cb -0.21 -3.45 0.42 0.00 0.00 0.00 0.00 23.12 19.87 1hq2 s ALA 65 CO 0.31 -1.08 1.82 -1.35 0.00 0.00 0.00 175.76 175.47 1hq2 h PRO 66 N 1.24 0.85 0.00 0.00 0.11 -1.99 0.69 132.00 132.89 1hq2 h PRO 66 Ca -0.50 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.47 1hq2 h PRO 66 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hq2 h PRO 66 CO 0.57 0.56 -0.39 0.93 -0.21 0.00 0.00 178.00 179.46 1hq2 h GLU 67 N 0.87 0.00 0.02 1.05 3.07 -1.99 -0.04 114.58 117.56 1hq2 h GLU 67 Ca 0.42 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.07 1hq2 h GLU 67 Cb 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1hq2 h GLU 67 CO -0.24 0.39 -0.93 1.49 -1.40 0.00 0.00 179.01 178.32 1hq2 h GLU 68 N 0.00 0.21 -0.31 2.33 4.57 -1.48 -0.79 114.58 119.12 1hq2 h GLU 68 Ca -0.00 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1hq2 h GLU 68 Cb 0.72 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1hq2 h GLU 68 CO 0.05 1.00 0.18 1.25 -1.18 0.00 0.00 179.01 180.31 1hq2 h LEU 69 N 0.11 0.37 -1.03 1.64 5.85 -0.54 -2.18 115.31 119.53 1hq2 h LEU 69 Ca -0.05 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1hq2 h LEU 69 Cb 1.58 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1hq2 h LEU 69 CO 0.14 0.31 0.64 0.25 -0.34 0.00 0.00 178.44 179.45 1hq2 h LEU 70 N 0.39 1.00 -0.87 2.25 5.85 -0.83 0.19 115.31 123.29 1hq2 h LEU 70 Ca 0.11 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1hq2 h LEU 70 Cb 0.01 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1hq2 h LEU 70 CO -0.02 0.62 0.53 0.78 -0.34 0.00 0.00 178.44 180.01 1hq2 h ASN 71 N 1.12 0.82 0.02 1.25 2.35 -0.78 -0.04 115.58 120.33 1hq2 h ASN 71 Ca 0.44 0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 56.01 1hq2 h ASN 71 Cb 0.24 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1hq2 h ASN 71 CO -0.19 0.51 -0.76 0.45 -1.65 0.00 0.00 177.43 175.79 1hq2 h HIS 72 N 0.95 0.86 -0.62 1.19 3.86 -0.52 -1.75 115.15 119.13 1hq2 h HIS 72 Ca 0.39 -0.38 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1hq2 h HIS 72 Cb 0.24 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1hq2 h HIS 72 CO -0.03 1.18 0.18 1.79 0.86 0.00 0.00 177.93 181.91 1hq2 h THR 73 N 0.43 1.25 -0.26 2.45 1.35 -0.38 -2.05 112.91 115.71 1hq2 h THR 73 Ca -0.04 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.88 1hq2 h THR 73 Cb 1.37 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1hq2 h THR 73 CO 0.15 0.33 -0.15 1.56 -0.25 0.00 0.00 175.52 177.16 1hq2 h GLN 74 N 0.89 0.43 -0.49 4.72 4.20 -0.98 -1.51 115.11 122.37 1hq2 h GLN 74 Ca 0.20 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1hq2 h GLN 74 Cb 0.31 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1hq2 h GLN 74 CO -0.00 0.58 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.52 1hq2 h ARG 75 N 0.40 0.92 -0.46 1.46 2.43 -1.02 -1.13 114.38 116.98 1hq2 h ARG 75 Ca 0.07 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 1hq2 h ARG 75 Cb 0.50 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1hq2 h ARG 75 CO 0.03 0.99 -0.10 0.82 -1.51 0.00 0.00 179.97 180.19 1hq2 h ILE 76 N 0.82 1.26 -0.60 1.20 2.04 -0.91 0.56 117.51 121.87 1hq2 h ILE 76 Ca 0.13 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1hq2 h ILE 76 Cb 0.66 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1hq2 h ILE 76 CO 0.05 0.41 0.35 -0.33 0.00 0.00 0.00 178.15 178.63 1hq2 h GLU 77 N 0.76 0.66 -0.39 2.37 5.08 -0.93 -1.44 114.58 120.69 1hq2 h GLU 77 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1hq2 h GLU 77 Cb 0.61 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1hq2 h GLU 77 CO 0.04 0.43 0.21 1.25 -1.00 0.00 0.00 179.01 179.95 1hq2 h LEU 78 N 0.68 0.49 -1.66 1.33 6.46 -0.70 -1.08 115.31 120.82 1hq2 h LEU 78 Ca 0.25 -0.09 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 1hq2 h LEU 78 Cb 0.08 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1hq2 h LEU 78 CO -0.13 0.44 0.48 1.56 -0.62 0.00 0.00 178.44 180.16 1hq2 h GLN 79 N 0.50 0.33 -0.60 1.25 4.20 -0.32 -1.57 115.11 118.89 1hq2 h GLN 79 Ca 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1hq2 h GLN 79 Cb 0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1hq2 h GLN 79 CO -0.02 0.22 0.00 1.04 -0.67 0.00 0.00 178.83 179.40 1hq2 n GLN 80 N -4.46 4.66 -1.04 1.46 6.02 -0.59 -4.95 117.38 118.48 1hq2 n GLN 80 Ca 0.13 -3.06 -0.01 0.00 -0.01 0.00 0.00 57.00 54.05 1hq2 n GLN 80 Cb 0.54 -2.20 -0.01 0.00 1.02 0.00 0.00 30.24 29.60 1hq2 n GLN 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hq2 n GLY 81 N 0.71 0.49 3.72 1.08 0.00 -0.59 -4.66 105.19 105.94 1hq2 n GLY 81 Ca 0.27 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1hq2 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hq2 s ALA 82 N -2.03 3.75 -0.10 4.61 0.00 -0.47 -4.74 121.76 122.78 1hq2 s ALA 82 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1hq2 s ALA 82 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1hq2 s ALA 82 CO 0.00 -0.77 -0.20 0.08 0.00 0.00 0.00 175.76 174.87 1hq2 s VAL 83 N 0.97 1.78 -0.51 0.00 1.01 -1.26 -4.75 120.40 117.64 1hq2 s VAL 83 Ca 0.68 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1hq2 s VAL 83 Cb -0.43 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1hq2 s VAL 83 CO 0.33 0.50 0.87 -0.13 0.00 0.00 0.00 175.10 176.67 1hq2 s ARG 84 N 0.59 3.36 0.79 2.72 0.52 -1.26 -4.85 118.95 120.83 1hq2 s ARG 84 Ca -0.14 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 1hq2 s ARG 84 Cb -0.17 -4.01 0.07 0.00 0.52 0.00 0.00 34.95 31.36 1hq2 s ARG 84 CO 0.04 -1.33 1.09 0.15 0.02 0.00 0.00 175.30 175.27 1hq2 s LYS 85 N 3.64 2.13 0.21 3.54 1.02 -1.26 -4.96 119.74 124.07 1hq2 s LYS 85 Ca 0.30 1.01 -0.10 0.00 0.02 0.00 0.00 55.97 57.20 1hq2 s LYS 85 Cb -0.13 -1.89 0.16 0.00 -0.52 0.00 0.00 37.83 35.45 1hq2 s LYS 85 CO 0.21 -1.68 1.87 0.00 -0.92 0.00 0.00 175.35 174.82 1hq2 h ALA 86 N -1.15 0.99 -2.73 5.17 0.00 -2.01 -3.44 119.26 116.09 1hq2 h ALA 86 Ca -0.45 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 53.89 1hq2 h ALA 86 Cb 1.24 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 18.74 1hq2 h ALA 86 CO 0.54 0.43 0.48 -1.83 0.00 0.00 0.00 179.25 178.86 1hq2 s GLU 87 N -6.06 4.40 0.23 0.00 -1.05 -1.26 -5.00 118.70 109.96 1hq2 s GLU 87 Ca -0.13 1.78 -0.30 0.00 -0.15 0.00 0.00 54.97 56.17 1hq2 s GLU 87 Cb 0.15 -2.93 -0.09 0.00 -0.44 0.00 0.00 34.13 30.82 1hq2 s GLU 87 CO 0.79 -0.00 1.24 0.50 0.95 0.00 0.00 175.26 178.74 1hq2 s ARG 88 N -1.87 4.45 -1.19 -4.83 3.52 -1.26 -3.48 118.95 114.29 1hq2 s ARG 88 Ca 0.50 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 1hq2 s ARG 88 Cb -0.30 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1hq2 s ARG 88 CO 0.38 -0.12 0.00 0.91 -0.81 0.00 0.00 175.30 175.67 1hq2 n TRP 89 N 2.02 -0.04 -1.85 5.12 8.01 -1.26 -4.63 117.44 124.81 1hq2 n TRP 89 Ca 0.03 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.93 1hq2 n TRP 89 Cb 0.43 -2.16 0.16 0.00 -2.01 0.00 0.00 31.31 27.74 1hq2 n TRP 89 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1hq2 s GLY 90 N -2.85 1.71 0.76 6.99 0.00 -1.23 -4.34 107.32 108.36 1hq2 s GLY 90 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1hq2 s GLY 90 CO 0.00 -0.31 1.08 2.56 0.00 0.00 0.00 173.10 176.43 1hq2 s PRO 91 N -5.74 2.41 -0.12 2.90 0.04 -1.26 -5.00 135.00 128.23 1hq2 s PRO 91 Ca 0.70 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1hq2 s PRO 91 Cb -0.07 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1hq2 s PRO 91 CO 0.52 -1.50 0.36 1.03 0.04 0.00 0.00 177.00 177.46 1hq2 s ARG 92 N -4.97 0.48 0.32 4.56 1.81 -1.26 -4.76 118.95 115.12 1hq2 s ARG 92 Ca 0.60 0.39 0.05 0.00 -1.72 0.00 0.00 55.73 55.05 1hq2 s ARG 92 Cb -0.16 0.23 0.53 0.00 -0.45 0.00 0.00 34.95 35.10 1hq2 s ARG 92 CO 0.56 -0.08 1.79 1.79 -0.68 0.00 0.00 175.30 178.68 1hq2 h THR 93 N 4.43 1.24 -2.19 0.02 1.35 -1.85 -1.23 112.91 114.68 1hq2 h THR 93 Ca -0.27 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 64.44 1hq2 h THR 93 Cb 1.18 1.29 -0.22 0.00 -1.73 0.00 0.00 68.15 68.67 1hq2 h THR 93 CO 0.30 0.35 -0.03 -0.22 -0.25 0.00 0.00 175.52 175.67 1hq2 s LEU 94 N -8.70 -0.60 -0.17 3.87 2.96 -1.26 -4.50 118.68 110.28 1hq2 s LEU 94 Ca -0.06 1.32 -0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1hq2 s LEU 94 Cb 0.14 2.13 0.04 0.00 0.50 0.00 0.00 46.19 49.01 1hq2 s LEU 94 CO 0.77 -0.22 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.90 1hq2 s ASP 95 N 1.07 2.96 -0.30 3.68 2.15 0.30 -4.75 116.67 121.78 1hq2 s ASP 95 Ca -0.06 -0.72 -0.03 0.00 0.43 0.00 0.00 52.55 52.18 1hq2 s ASP 95 Cb -0.05 -0.97 0.04 0.00 -0.30 0.00 0.00 42.92 41.64 1hq2 s ASP 95 CO -0.10 -0.18 0.01 -0.76 -0.17 0.00 0.00 175.17 173.97 1hq2 s LEU 96 N 1.59 3.88 -0.12 -1.34 1.43 -1.26 -1.34 118.68 121.53 1hq2 s LEU 96 Ca 0.00 -1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 1hq2 s LEU 96 Cb -0.16 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1hq2 s LEU 96 CO -0.08 -0.25 -0.09 -1.81 0.23 0.00 0.00 176.35 174.34 1hq2 s ASP 97 N 1.29 4.35 -0.51 2.29 1.01 -0.43 -4.90 116.67 119.77 1hq2 s ASP 97 Ca -0.04 -0.20 -0.26 0.00 0.71 0.00 0.00 52.55 52.76 1hq2 s ASP 97 Cb -0.19 -1.49 0.03 0.00 1.01 0.00 0.00 42.92 42.28 1hq2 s ASP 97 CO -0.01 0.22 1.03 -0.63 0.21 0.00 0.00 175.17 175.99 1hq2 s ILE 98 N 0.01 4.30 -0.08 0.77 1.01 -1.26 -0.72 121.20 125.24 1hq2 s ILE 98 Ca -0.02 0.74 -0.22 0.00 0.00 0.00 0.00 60.65 61.15 1hq2 s ILE 98 Cb -0.14 -4.56 -0.18 0.00 0.01 0.00 0.00 42.46 37.60 1hq2 s ILE 98 CO 0.04 -1.05 0.82 0.24 0.00 0.00 0.00 174.94 174.98 1hq2 h MET 99 N 9.27 -0.10 -3.80 2.79 2.86 -1.05 -3.33 114.93 121.57 1hq2 h MET 99 Ca -0.25 0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.21 1hq2 h MET 99 Cb 1.07 0.02 -0.24 0.00 0.06 0.00 0.00 31.60 32.51 1hq2 h MET 99 CO 1.10 0.45 -0.68 -0.51 1.06 0.00 0.00 176.91 178.32 1hq2 s LEU 100 N -8.77 2.03 -0.45 1.22 1.43 -1.08 -1.29 118.68 111.77 1hq2 s LEU 100 Ca -0.14 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1hq2 s LEU 100 Cb -0.00 0.13 0.13 0.00 0.03 0.00 0.00 46.19 46.47 1hq2 s LEU 100 CO 0.52 -0.16 0.21 0.12 0.23 0.00 0.00 176.35 177.27 1hq2 s PHE 101 N -0.72 2.63 0.00 0.29 2.19 -1.26 -0.91 117.98 120.20 1hq2 s PHE 101 Ca -0.08 -2.73 0.00 0.00 0.33 0.00 0.00 56.93 54.45 1hq2 s PHE 101 Cb -0.05 -2.36 0.00 0.00 -1.31 0.00 0.00 43.02 39.30 1hq2 s PHE 101 CO -0.00 -0.79 0.00 0.41 1.83 0.00 0.00 175.22 176.66 1hq2 n GLY 102 N 3.55 2.88 1.68 13.12 0.00 0.81 -1.00 105.19 126.24 1hq2 n GLY 102 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1hq2 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hq2 n ASN 103 N 2.21 5.29 -4.78 1.61 5.15 -1.26 -4.91 115.26 118.57 1hq2 n ASN 103 Ca 0.00 -2.86 -0.36 0.00 -0.60 0.00 0.00 54.58 50.76 1hq2 n ASN 103 Cb 0.00 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.58 1hq2 n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1hq2 s GLU 104 N -2.61 3.85 -0.25 1.20 2.02 -0.17 -4.65 118.70 118.10 1hq2 s GLU 104 Ca 0.52 1.57 -0.04 0.00 0.02 0.00 0.00 54.97 57.04 1hq2 s GLU 104 Cb 0.39 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1hq2 s GLU 104 CO 0.16 -0.42 -0.02 0.08 0.02 0.00 0.00 175.26 175.09 1hq2 s VAL 105 N -1.72 3.40 -0.13 2.63 1.01 -1.26 -4.26 120.40 120.08 1hq2 s VAL 105 Ca 0.64 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1hq2 s VAL 105 Cb -0.23 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1hq2 s VAL 105 CO 0.28 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.85 1hq2 s ILE 106 N 1.45 1.76 -0.29 2.22 1.01 0.45 -4.98 121.20 122.81 1hq2 s ILE 106 Ca 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1hq2 s ILE 106 Cb -0.16 -1.58 0.10 0.00 0.01 0.00 0.00 42.46 40.83 1hq2 s ILE 106 CO -0.02 0.49 0.12 0.20 0.00 0.00 0.00 174.94 175.73 1hq2 s ASN 107 N 0.97 3.57 0.32 3.58 0.01 -1.25 -0.94 114.94 121.20 1hq2 s ASN 107 Ca -0.05 -1.32 0.03 0.00 -0.71 0.00 0.00 52.86 50.81 1hq2 s ASN 107 Cb -0.15 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 1hq2 s ASN 107 CO -0.03 -0.43 0.12 0.42 -1.51 0.00 0.00 177.10 175.66 1hq2 s THR 108 N 2.02 0.62 0.17 1.60 -4.23 0.26 -5.03 115.64 111.05 1hq2 s THR 108 Ca 0.09 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 1hq2 s THR 108 Cb -0.16 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.16 1hq2 s THR 108 CO -0.34 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.41 1hq2 h GLU 109 N 2.16 0.31 0.00 3.99 4.81 -2.05 -3.15 114.58 120.64 1hq2 h GLU 109 Ca -0.37 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.72 1hq2 h GLU 109 Cb 1.25 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1hq2 h GLU 109 CO 0.59 0.21 -0.60 0.00 -0.73 0.00 0.00 179.01 178.47 1hq2 h ARG 110 N 0.32 0.00 -2.97 1.92 3.08 -2.02 -3.46 114.38 111.25 1hq2 h ARG 110 Ca 0.20 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.01 1hq2 h ARG 110 Cb 0.18 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.90 1hq2 h ARG 110 CO -0.20 0.60 -0.56 -1.17 -1.07 0.00 0.00 179.97 177.58 1hq2 s LEU 111 N -6.66 -0.09 -0.16 3.04 2.96 -1.19 -5.11 118.68 111.46 1hq2 s LEU 111 Ca 0.02 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1hq2 s LEU 111 Cb 0.09 0.57 0.03 0.00 0.50 0.00 0.00 46.19 47.38 1hq2 s LEU 111 CO 0.75 -0.23 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.56 1hq2 s THR 112 N 2.17 1.44 -0.04 3.68 2.01 -1.26 -0.57 115.64 123.08 1hq2 s THR 112 Ca -0.00 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1hq2 s THR 112 Cb -0.12 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1hq2 s THR 112 CO -0.08 0.29 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.43 1hq2 s VAL 113 N 1.51 0.36 0.58 3.82 1.01 -0.12 -3.68 120.40 123.88 1hq2 s VAL 113 Ca 0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 1hq2 s VAL 113 Cb -0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1hq2 s VAL 113 CO -0.09 0.18 1.35 -2.65 0.00 0.00 0.00 175.10 173.90 1hq2 n PRO 114 N 4.09 1.53 -1.58 2.72 -0.02 -1.26 -0.41 135.00 140.06 1hq2 n PRO 114 Ca -0.26 0.57 -0.52 0.00 -2.02 0.00 0.00 63.50 61.28 1hq2 n PRO 114 Cb 0.51 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1hq2 n PRO 114 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1hq2 n HIS 115 N -1.31 1.44 -0.00 6.00 -0.00 -0.41 -4.82 115.22 116.11 1hq2 n HIS 115 Ca 0.12 0.66 0.14 0.00 -0.00 0.00 0.00 57.72 58.64 1hq2 n HIS 115 Cb 0.46 -2.31 0.59 0.00 -0.00 0.00 0.00 29.99 28.72 1hq2 n HIS 115 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1hq2 h TYR 116 N 4.27 0.21 -0.05 1.57 -0.00 -1.92 -2.98 116.97 118.07 1hq2 h TYR 116 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 1hq2 h TYR 116 Cb 1.34 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 1hq2 h TYR 116 CO 0.59 0.10 0.00 -3.47 -0.00 0.00 0.00 178.16 175.38 1hq2 n ASP 117 N -4.45 1.68 0.06 0.10 2.03 -1.26 -4.77 116.55 109.93 1hq2 n ASP 117 Ca 0.08 -1.41 0.02 0.00 0.52 0.00 0.00 54.79 54.00 1hq2 n ASP 117 Cb 0.42 -0.03 0.39 0.00 -0.72 0.00 0.00 41.12 41.18 1hq2 n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hq2 h MET 118 N 1.00 0.40 0.00 -0.67 -0.00 -1.90 -0.58 114.93 113.18 1hq2 h MET 118 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1hq2 h MET 118 Cb 0.31 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1hq2 h MET 118 CO 0.00 0.40 0.00 1.63 -0.00 0.00 0.00 176.91 178.94 1hq2 n LYS 119 N -4.36 0.06 -0.09 -0.10 5.02 -1.26 -1.97 118.16 115.47 1hq2 n LYS 119 Ca 0.01 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1hq2 n LYS 119 Cb 0.18 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1hq2 n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1hq2 n ASN 120 N -1.45 3.18 -3.98 4.39 3.02 -0.23 -4.94 115.26 115.25 1hq2 n ASN 120 Ca 0.05 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.32 1hq2 n ASN 120 Cb 0.19 -0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 1hq2 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hq2 s ARG 121 N -1.72 1.83 0.50 3.52 0.52 -0.83 -4.98 118.95 117.80 1hq2 s ARG 121 Ca 0.32 -1.06 0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1hq2 s ARG 121 Cb 0.21 -2.64 1.30 0.00 0.52 0.00 0.00 34.95 34.33 1hq2 s ARG 121 CO 0.30 -0.57 2.08 0.78 0.02 0.00 0.00 175.30 177.91 1hq2 h GLY 122 N 7.91 0.00 2.00 -3.53 0.00 -1.92 -0.78 103.07 106.75 1hq2 h GLY 122 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1hq2 h GLY 122 CO 0.43 0.00 0.00 0.27 0.00 0.00 0.00 176.54 177.24 1hq2 h PHE 123 N 0.00 0.00 0.01 5.60 -5.15 -1.93 -0.05 116.94 115.42 1hq2 h PHE 123 Ca -0.00 0.00 -0.40 0.00 -0.20 0.00 0.00 57.97 57.37 1hq2 h PHE 123 Cb 0.23 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.34 1hq2 h PHE 123 CO 0.00 0.00 -2.32 -1.33 -2.00 0.00 0.00 178.31 172.66 1hq2 n MET 124 N -2.74 0.62 -0.14 6.09 2.81 -0.73 -4.56 117.12 118.47 1hq2 n MET 124 Ca 0.00 0.26 -0.12 0.00 -1.81 0.00 0.00 57.70 56.04 1hq2 n MET 124 Cb 0.22 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 1hq2 n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1hq2 h LEU 125 N -0.55 0.91 0.00 4.03 3.38 -1.02 -2.60 115.31 119.46 1hq2 h LEU 125 Ca -0.59 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 56.98 1hq2 h LEU 125 Cb 1.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1hq2 h LEU 125 CO -0.23 1.10 -0.00 -0.50 0.09 0.00 0.00 178.44 178.90 1hq2 h TRP 126 N 0.71 -0.00 -0.44 1.13 4.06 -1.25 0.31 115.95 120.47 1hq2 h TRP 126 Ca 0.10 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 1hq2 h TRP 126 Cb 0.75 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.89 1hq2 h TRP 126 CO 0.06 0.26 0.13 -1.35 -3.56 0.00 0.00 178.44 173.97 1hq2 h PRO 127 N -0.26 0.64 -0.51 0.49 0.11 -1.76 -1.68 132.00 129.04 1hq2 h PRO 127 Ca -0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1hq2 h PRO 127 Cb 0.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1hq2 h PRO 127 CO 0.00 0.57 0.28 1.25 -0.21 0.00 0.00 178.00 179.89 1hq2 h LEU 128 N 0.63 0.63 -1.27 2.35 5.85 -1.19 -2.76 115.31 119.55 1hq2 h LEU 128 Ca 0.15 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1hq2 h LEU 128 Cb 0.21 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1hq2 h LEU 128 CO -0.01 0.54 -0.03 0.15 -0.34 0.00 0.00 178.44 178.75 1hq2 h PHE 129 N 0.67 0.47 -0.92 1.25 3.57 -0.51 0.18 116.94 121.65 1hq2 h PHE 129 Ca 0.18 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1hq2 h PHE 129 Cb 0.05 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1hq2 h PHE 129 CO -0.02 0.50 0.60 1.49 -2.23 0.00 0.00 178.31 178.65 1hq2 h GLU 130 N 0.44 1.07 0.00 1.11 4.81 -1.03 -2.69 114.58 118.29 1hq2 h GLU 130 Ca 0.09 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1hq2 h GLU 130 Cb 0.34 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1hq2 h GLU 130 CO 0.01 0.71 -1.49 0.44 -0.73 0.00 0.00 179.01 177.95 1hq2 n ILE 131 N -4.47 0.13 -3.02 2.32 -5.35 -0.74 -4.67 119.36 103.57 1hq2 n ILE 131 Ca 0.13 -0.38 -0.17 0.00 -0.27 0.00 0.00 62.75 62.07 1hq2 n ILE 131 Cb 0.15 0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.18 1hq2 n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1hq2 n ALA 132 N -2.04 0.93 0.30 -1.28 0.00 0.54 -4.99 120.51 113.98 1hq2 n ALA 132 Ca -0.01 -2.63 0.19 0.00 0.00 0.00 0.00 53.44 50.99 1hq2 n ALA 132 Cb 0.50 -1.02 0.94 0.00 0.00 0.00 0.00 19.45 19.87 1hq2 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hq2 h PRO 133 N 3.76 0.00 -0.29 0.00 0.13 -1.69 -1.74 132.00 132.17 1hq2 h PRO 133 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1hq2 h PRO 133 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1hq2 h PRO 133 CO 0.40 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1hq2 n GLU 134 N -3.23 2.17 -1.71 0.86 -0.58 -1.26 -4.44 120.64 112.46 1hq2 n GLU 134 Ca -0.02 -1.77 -0.41 0.00 -0.42 0.00 0.00 57.16 54.55 1hq2 n GLU 134 Cb 0.18 -1.46 0.01 0.00 -0.57 0.00 0.00 31.44 29.61 1hq2 n GLU 134 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1hq2 n LEU 135 N 0.99 4.17 -4.11 -4.62 0.00 -0.66 -4.88 117.00 107.88 1hq2 n LEU 135 Ca 0.18 1.10 -0.29 0.00 0.00 0.00 0.00 56.01 56.99 1hq2 n LEU 135 Cb 0.48 -1.51 -0.17 0.00 0.00 0.00 0.00 43.42 42.23 1hq2 n LEU 135 CO 0.14 -0.64 -0.52 -0.69 0.00 0.00 0.00 177.39 175.69 1hq2 s VAL 136 N -1.21 1.67 0.88 1.96 1.01 -1.26 -1.25 120.40 122.20 1hq2 s VAL 136 Ca 0.62 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1hq2 s VAL 136 Cb -0.50 -1.49 0.12 0.00 0.00 0.00 0.00 36.38 34.51 1hq2 s VAL 136 CO 0.57 0.47 1.10 -0.36 0.00 0.00 0.00 175.10 176.89 1hq2 s PHE 137 N 0.71 2.47 0.50 5.22 0.40 0.36 -4.92 117.98 122.71 1hq2 s PHE 137 Ca -0.12 1.14 0.17 0.00 -0.60 0.00 0.00 56.93 57.53 1hq2 s PHE 137 Cb -0.16 -3.19 1.22 0.00 0.51 0.00 0.00 43.02 41.40 1hq2 s PHE 137 CO 0.03 -2.26 2.07 -1.35 0.70 0.00 0.00 175.22 174.40 1hq2 h PRO 138 N -1.44 0.13 -0.01 0.24 0.11 -1.89 -0.56 132.00 128.59 1hq2 h PRO 138 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hq2 h PRO 138 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1hq2 h PRO 138 CO 0.57 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 1hq2 n ASP 139 N -4.47 0.09 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.73 1hq2 n ASP 139 Ca 0.04 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1hq2 n ASP 139 Cb 0.28 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1hq2 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hq2 n GLY 140 N 0.86 0.54 3.76 6.12 0.00 -0.22 -5.06 105.19 111.18 1hq2 n GLY 140 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1hq2 n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hq2 s GLU 141 N -0.83 4.67 0.11 1.61 2.02 -1.26 -4.76 118.70 120.26 1hq2 s GLU 141 Ca 0.00 1.76 -0.24 0.00 0.02 0.00 0.00 54.97 56.51 1hq2 s GLU 141 Cb 0.00 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.95 1hq2 s GLU 141 CO 0.00 0.25 0.72 -1.64 0.02 0.00 0.00 175.26 174.61 1hq2 s MET 142 N -1.36 4.46 0.21 1.61 -1.94 -1.26 -0.49 119.30 120.53 1hq2 s MET 142 Ca 0.44 1.02 -0.09 0.00 -1.71 0.00 0.00 55.69 55.35 1hq2 s MET 142 Cb -0.31 -3.28 0.28 0.00 2.01 0.00 0.00 34.83 33.53 1hq2 s MET 142 CO 0.40 0.52 1.76 1.25 -0.01 0.00 0.00 175.02 178.93 1hq2 h LEU 143 N 4.72 0.31 -1.20 -0.03 5.85 -1.51 0.04 115.31 123.49 1hq2 h LEU 143 Ca -0.47 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.37 1hq2 h LEU 143 Cb 1.21 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1hq2 h LEU 143 CO 0.67 0.19 0.56 -0.09 -0.34 0.00 0.00 178.44 179.42 1hq2 h ARG 144 N 0.48 0.96 -0.00 1.25 2.43 -1.79 -1.40 114.38 116.30 1hq2 h ARG 144 Ca 0.31 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 59.18 1hq2 h ARG 144 Cb 0.35 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1hq2 h ARG 144 CO -0.28 0.63 -0.98 0.37 -1.51 0.00 0.00 179.97 178.21 1hq2 h GLN 145 N 0.99 0.54 -0.73 0.20 4.15 -1.45 -2.54 115.11 116.27 1hq2 h GLN 145 Ca 0.36 -0.58 0.02 0.00 0.77 0.00 0.00 58.65 59.22 1hq2 h GLN 145 Cb 0.14 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1hq2 h GLN 145 CO -0.12 1.20 0.47 0.82 -1.93 0.00 0.00 178.83 179.27 1hq2 h ILE 146 N 0.31 1.14 -0.88 2.39 2.04 -0.78 0.37 117.51 122.11 1hq2 h ILE 146 Ca -0.10 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1hq2 h ILE 146 Cb 1.62 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1hq2 h ILE 146 CO 0.18 0.17 0.57 -0.07 0.00 0.00 0.00 178.15 179.01 1hq2 h LEU 147 N 0.94 0.98 -0.14 1.44 3.38 -1.17 -1.01 115.31 119.72 1hq2 h LEU 147 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1hq2 h LEU 147 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1hq2 h LEU 147 CO -0.09 0.69 0.07 -0.74 0.09 0.00 0.00 178.44 178.46 1hq2 h HIS 148 N 1.15 0.21 -0.25 1.13 2.76 -0.89 -0.20 115.15 119.06 1hq2 h HIS 148 Ca 0.33 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1hq2 h HIS 148 Cb -0.08 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1hq2 h HIS 148 CO -0.01 0.25 0.16 1.15 -1.30 0.00 0.00 177.93 178.18 1hq2 h THR 149 N 0.10 1.05 0.00 6.26 2.02 -0.45 -3.11 112.91 118.79 1hq2 h THR 149 Ca 0.05 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 1hq2 h THR 149 Cb 0.12 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1hq2 h THR 149 CO -0.01 0.06 -0.71 0.03 0.37 0.00 0.00 175.52 175.26 1hq2 h ARG 150 N 0.33 0.00 -6.16 6.66 2.47 -1.09 -3.48 114.38 113.10 1hq2 h ARG 150 Ca 0.09 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.37 1hq2 h ARG 150 Cb -0.03 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.31 1hq2 h ARG 150 CO -0.03 0.71 -0.80 0.00 0.56 0.00 0.00 179.97 180.41 1hq2 n ALA 151 N -2.28 -1.73 -1.77 0.04 0.00 -0.10 -4.93 120.51 109.75 1hq2 n ALA 151 Ca 0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 1hq2 n ALA 151 Cb 0.82 -2.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1hq2 n ALA 151 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1hq2 s PHE 152 N -3.53 3.09 0.30 0.00 0.08 -1.26 -4.94 117.98 111.72 1hq2 s PHE 152 Ca 0.26 1.46 -0.29 0.00 0.12 0.00 0.00 56.93 58.49 1hq2 s PHE 152 Cb -0.13 -3.60 -0.13 0.00 -0.57 0.00 0.00 43.02 38.59 1hq2 s PHE 152 CO 0.82 -1.67 1.25 -0.25 -0.10 0.00 0.00 175.22 175.26 1hq2 n ASP 153 N 0.70 2.39 -4.76 1.36 8.00 -1.26 -4.94 116.55 118.05 1hq2 n ASP 153 Ca 0.01 1.19 -0.34 0.00 0.71 0.00 0.00 54.79 56.35 1hq2 n ASP 153 Cb 0.43 -1.42 0.05 0.00 -0.02 0.00 0.00 41.12 40.15 1hq2 n ASP 153 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1hq2 s LYS 154 N -1.45 2.78 0.35 -1.24 1.02 -1.26 -4.95 119.74 114.99 1hq2 s LYS 154 Ca 0.59 1.58 -0.04 0.00 0.02 0.00 0.00 55.97 58.12 1hq2 s LYS 154 Cb -0.62 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1hq2 s LYS 154 CO 0.59 -1.30 0.61 -0.51 -0.92 0.00 0.00 175.35 173.81 1hq2 s LEU 155 N -4.62 3.95 -0.08 3.17 1.43 -1.26 -5.09 118.68 116.18 1hq2 s LEU 155 Ca 0.71 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 1hq2 s LEU 155 Cb -0.24 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1hq2 s LEU 155 CO 0.38 -0.31 0.38 0.20 0.23 0.00 0.00 176.35 177.24 1hq2 s ASN 156 N -3.58 6.66 0.53 2.29 0.01 -1.26 -5.03 114.94 114.56 1hq2 s ASN 156 Ca 0.44 0.78 -0.22 0.00 -0.71 0.00 0.00 52.86 53.15 1hq2 s ASN 156 Cb -0.10 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1hq2 s ASN 156 CO 0.34 0.19 1.32 -0.54 -1.51 0.00 0.00 177.10 176.90 1hq2 s LYS 157 N -0.22 3.25 0.00 -0.60 -0.14 -1.26 -0.94 119.74 119.83 1hq2 s LYS 157 Ca 0.22 2.13 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 1hq2 s LYS 157 Cb -0.15 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 1hq2 s LYS 157 CO 0.10 -1.07 0.48 1.87 -0.76 0.00 0.00 175.35 175.97