#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqh s PRO 7 N 0.00 3.05 -0.05 1.64 0.05 -1.26 -1.41 135.00 137.01 1hqh s PRO 7 Ca 0.00 -1.01 -0.01 0.00 0.05 0.00 0.00 61.00 60.02 1hqh s PRO 7 Cb 0.00 -2.66 0.03 0.00 0.05 0.00 0.00 34.50 31.92 1hqh s PRO 7 CO 0.00 0.33 0.03 0.42 0.05 0.00 0.00 177.00 177.82 1hqh s ILE 8 N -2.13 0.12 -0.16 0.56 -1.09 0.90 -1.69 121.20 117.72 1hqh s ILE 8 Ca 0.36 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1hqh s ILE 8 Cb -0.08 -0.32 0.00 0.00 -1.58 0.00 0.00 42.46 40.48 1hqh s ILE 8 CO 0.27 0.21 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.32 1hqh s GLU 9 N 1.93 3.18 0.03 2.79 2.12 -0.90 0.11 118.70 127.95 1hqh s GLU 9 Ca 0.03 -0.76 -0.17 0.00 0.36 0.00 0.00 54.97 54.43 1hqh s GLU 9 Cb -0.12 -2.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.60 1hqh s GLU 9 CO -0.04 -0.00 0.48 0.42 -0.54 0.00 0.00 175.26 175.58 1hqh s ILE 10 N 0.86 4.91 -0.04 -3.70 1.09 0.12 -2.09 121.20 122.35 1hqh s ILE 10 Ca -0.05 1.01 0.01 0.00 -1.10 0.00 0.00 60.65 60.53 1hqh s ILE 10 Cb -0.15 -3.80 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 1hqh s ILE 10 CO -0.01 0.56 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.70 1hqh s ILE 11 N -1.02 0.58 -0.17 2.92 1.01 -0.97 -1.47 121.20 122.07 1hqh s ILE 11 Ca 0.26 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1hqh s ILE 11 Cb -0.18 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1hqh s ILE 11 CO 0.16 0.22 0.13 -0.83 0.00 0.00 0.00 174.94 174.62 1hqh s GLY 12 N 0.75 2.06 -0.43 6.18 0.00 -1.14 -0.48 107.32 114.25 1hqh s GLY 12 Ca -0.10 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 43.98 1hqh s GLY 12 CO 0.00 -0.02 1.20 0.00 0.00 0.00 0.00 173.10 174.29 1hqh n ALA 13 N 3.07 5.17 -1.35 3.20 0.00 0.93 -2.10 120.51 129.43 1hqh n ALA 13 Ca -0.17 -4.17 -0.13 0.00 0.00 0.00 0.00 53.44 48.98 1hqh n ALA 13 Cb 0.53 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 1hqh n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1hqh n PRO 14 N -0.55 0.09 -4.19 0.00 -0.04 -1.26 -4.33 135.00 124.71 1hqh n PRO 14 Ca 0.42 -0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1hqh n PRO 14 Cb 0.71 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1hqh n PRO 14 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1hqh s PHE 15 N 3.93 1.07 0.00 0.54 5.36 -1.26 -4.81 117.98 122.81 1hqh s PHE 15 Ca 0.77 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 1hqh s PHE 15 Cb -0.38 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.72 1hqh s PHE 15 CO 0.27 -0.02 0.00 -1.13 -1.46 0.00 0.00 175.22 172.89 1hqh n SER 16 N 0.20 0.00 0.00 6.13 3.41 -1.26 -2.23 113.62 119.87 1hqh n SER 16 Ca -0.13 -0.66 0.02 0.00 -0.26 0.00 0.00 58.87 57.84 1hqh n SER 16 Cb 0.59 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.65 1hqh n SER 16 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hqh n LYS 17 N 0.00 0.06 -0.14 4.33 4.01 -1.26 -2.38 118.16 122.79 1hqh n LYS 17 Ca 0.00 0.25 -0.11 0.00 -0.51 0.00 0.00 58.31 57.93 1hqh n LYS 17 Cb 0.16 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.19 1hqh n LYS 17 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1hqh h GLY 18 N 0.72 1.03 -2.50 0.72 0.00 -1.95 -3.43 103.07 97.66 1hqh h GLY 18 Ca 0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 47.33 46.04 1hqh h GLY 18 CO 0.00 0.86 -0.65 -0.86 0.00 0.00 0.00 176.54 175.90 1hqh s GLN 19 N -4.58 1.28 0.00 4.80 1.03 -1.00 -1.32 119.66 119.88 1hqh s GLN 19 Ca -0.11 -1.65 0.21 0.00 0.04 0.00 0.00 55.36 53.85 1hqh s GLN 19 Cb 0.12 -0.41 1.26 0.00 0.03 0.00 0.00 33.01 34.02 1hqh s GLN 19 CO 0.87 -0.16 1.67 -0.35 -2.54 0.00 0.00 175.29 174.77 1hqh n PRO 20 N -0.37 0.64 -3.81 9.60 -0.04 -1.26 -4.84 135.00 134.92 1hqh n PRO 20 Ca -0.04 0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.07 1hqh n PRO 20 Cb 0.64 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1hqh n PRO 20 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hqh s ARG 21 N -2.06 3.91 -0.05 0.54 0.52 -1.26 -5.07 118.95 115.49 1hqh s ARG 21 Ca 0.31 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 1hqh s ARG 21 Cb 0.15 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 1hqh s ARG 21 CO 0.26 0.05 1.11 0.20 0.02 0.00 0.00 175.30 176.93 1hqh s GLY 22 N 1.03 2.33 0.00 -3.53 0.00 -1.26 -4.26 107.32 101.64 1hqh s GLY 22 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1hqh s GLY 22 CO 0.04 2.02 0.00 0.61 0.00 0.00 0.00 173.10 175.77 1hqh n GLY 23 N 3.19 2.95 0.59 0.20 0.00 -1.26 -4.82 105.19 106.04 1hqh n GLY 23 Ca 0.09 -0.40 0.46 0.00 0.00 0.00 0.00 46.02 46.18 1hqh n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hqh n VAL 24 N 0.00 -0.09 0.20 1.61 0.24 -1.26 0.21 118.33 119.23 1hqh n VAL 24 Ca 0.00 1.54 0.05 0.00 -2.04 0.00 0.00 64.34 63.89 1hqh n VAL 24 Cb 0.00 -2.55 0.42 0.00 -1.47 0.00 0.00 33.84 30.23 1hqh n VAL 24 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1hqh h GLU 25 N 0.00 0.00 0.00 7.34 9.09 -1.86 0.61 114.58 129.76 1hqh h GLU 25 Ca 0.88 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.29 1hqh h GLU 25 Cb 3.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 30.37 1hqh h GLU 25 CO -0.18 0.33 0.00 1.63 0.05 0.00 0.00 179.01 180.84 1hqh n LYS 26 N -3.87 0.30 0.00 1.06 5.02 0.55 -4.25 118.16 116.97 1hqh n LYS 26 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1hqh n LYS 26 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1hqh n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hqh n GLY 27 N 0.17 -3.31 0.36 0.72 0.00 0.36 -2.23 105.19 101.26 1hqh n GLY 27 Ca 0.09 0.52 0.18 0.00 0.00 0.00 0.00 46.02 46.81 1hqh n GLY 27 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hqh h PRO 28 N 0.00 0.00 0.44 1.61 0.11 -1.66 -1.29 132.00 131.21 1hqh h PRO 28 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1hqh h PRO 28 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1hqh h PRO 28 CO 0.00 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 177.58 1hqh h ALA 29 N 1.51 -0.59 -0.44 -0.75 0.00 -1.69 -1.79 119.26 115.51 1hqh h ALA 29 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1hqh h ALA 29 Cb 0.78 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1hqh h ALA 29 CO -0.00 -0.80 0.07 0.00 0.00 0.00 0.00 179.25 178.52 1hqh h ALA 30 N -0.12 0.59 -1.01 0.00 0.00 -0.89 -0.75 119.26 117.08 1hqh h ALA 30 Ca -0.06 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.77 1hqh h ALA 30 Cb 0.49 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1hqh h ALA 30 CO 0.10 0.31 0.63 -0.07 0.00 0.00 0.00 179.25 180.21 1hqh h LEU 31 N 0.59 0.88 -0.04 0.00 3.38 -1.36 -0.26 115.31 118.50 1hqh h LEU 31 Ca 0.13 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1hqh h LEU 31 Cb 0.38 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1hqh h LEU 31 CO 0.01 0.42 -0.45 0.03 0.09 0.00 0.00 178.44 178.54 1hqh h ARG 32 N 0.92 0.37 0.00 1.13 3.08 -1.10 -2.73 114.38 116.04 1hqh h ARG 32 Ca 0.53 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1hqh h ARG 32 Cb 0.64 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1hqh h ARG 32 CO -0.31 1.01 0.00 1.17 -1.07 0.00 0.00 179.97 180.77 1hqh n LYS 33 N -4.33 0.04 0.00 0.04 3.00 -0.31 0.18 118.16 116.79 1hqh n LYS 33 Ca -0.09 0.01 0.07 0.00 -0.00 0.00 0.00 58.31 58.30 1hqh n LYS 33 Cb 0.58 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.05 1hqh n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hqh n ALA 34 N -1.01 3.72 -0.73 3.14 0.00 -0.25 -4.97 120.51 120.41 1hqh n ALA 34 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1hqh n ALA 34 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1hqh n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqh n GLY 35 N 1.29 1.26 0.16 0.00 0.00 0.47 -4.99 105.19 103.38 1hqh n GLY 35 Ca 0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1hqh n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hqh h LEU 36 N 0.00 -0.09 0.22 0.99 5.85 -1.51 -1.77 115.31 118.99 1hqh h LEU 36 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1hqh h LEU 36 Cb 0.33 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1hqh h LEU 36 CO 0.00 -0.01 -0.14 0.58 -0.34 0.00 0.00 178.44 178.53 1hqh h VAL 37 N 0.14 0.00 -0.93 1.05 2.07 -1.84 -1.46 116.25 115.28 1hqh h VAL 37 Ca 0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1hqh h VAL 37 Cb 0.25 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.89 1hqh h VAL 37 CO -0.29 0.00 -0.47 -0.62 0.02 0.00 0.00 177.57 176.21 1hqh n GLU 38 N -3.07 -0.32 -0.05 1.57 4.71 -1.16 -0.05 120.64 122.27 1hqh n GLU 38 Ca -0.04 1.42 -0.08 0.00 -0.01 0.00 0.00 57.16 58.45 1hqh n GLU 38 Cb 0.14 -2.10 -0.01 0.00 -1.01 0.00 0.00 31.44 28.46 1hqh n GLU 38 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1hqh h LYS 39 N 0.00 -0.11 -0.96 3.49 1.57 -1.30 0.05 116.57 119.31 1hqh h LYS 39 Ca 0.23 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.23 1hqh h LYS 39 Cb 0.46 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 1hqh h LYS 39 CO -0.90 -0.07 0.62 -0.07 -0.57 0.00 0.00 179.45 178.46 1hqh h LEU 40 N -0.11 0.52 -0.30 2.94 3.38 0.66 0.44 115.31 122.84 1hqh h LEU 40 Ca 0.13 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1hqh h LEU 40 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1hqh h LEU 40 CO -0.31 0.18 0.06 0.11 0.09 0.00 0.00 178.44 178.57 1hqh h LYS 41 N 0.50 0.48 0.00 1.13 1.57 0.38 -2.27 116.57 118.35 1hqh h LYS 41 Ca 0.53 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1hqh h LYS 41 Cb 1.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1hqh h LYS 41 CO -0.25 0.57 0.33 0.39 -0.57 0.00 0.00 179.45 179.92 1hqh n GLU 42 N -4.66 0.07 -1.89 3.15 1.02 0.14 -4.57 120.64 113.90 1hqh n GLU 42 Ca -0.02 0.53 -0.23 0.00 -0.02 0.00 0.00 57.16 57.42 1hqh n GLU 42 Cb 0.20 -2.07 0.15 0.00 -0.02 0.00 0.00 31.44 29.69 1hqh n GLU 42 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1hqh n THR 43 N -1.94 0.00 1.96 2.62 -2.24 -0.86 -4.96 114.28 108.87 1hqh n THR 43 Ca -0.01 -1.04 0.08 0.00 -2.27 0.00 0.00 64.05 60.81 1hqh n THR 43 Cb 0.35 -1.33 0.46 0.00 -2.10 0.00 0.00 70.33 67.71 1hqh n THR 43 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1hqh n GLU 44 N -3.07 0.98 -3.87 -0.78 0.28 -1.26 -4.84 120.64 108.08 1hqh n GLU 44 Ca 0.14 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.82 1hqh n GLU 44 Cb 0.50 -1.25 -0.04 0.00 1.43 0.00 0.00 31.44 32.08 1hqh n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1hqh s TYR 45 N -2.00 3.52 -0.31 -1.84 1.51 -1.26 -4.71 117.35 112.26 1hqh s TYR 45 Ca 0.23 0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 56.42 1hqh s TYR 45 Cb 0.11 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1hqh s TYR 45 CO 0.18 0.58 0.70 1.21 -1.11 0.00 0.00 175.55 177.11 1hqh s ASN 46 N -2.31 6.57 0.04 2.29 3.84 -0.50 -4.74 114.94 120.12 1hqh s ASN 46 Ca 0.34 0.52 0.04 0.00 0.21 0.00 0.00 52.86 53.97 1hqh s ASN 46 Cb -0.13 -2.36 -0.04 0.00 -0.55 0.00 0.00 41.25 38.17 1hqh s ASN 46 CO 0.25 -0.54 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.27 1hqh s VAL 47 N 2.77 3.70 -0.04 -5.21 1.01 -1.26 0.31 120.40 121.67 1hqh s VAL 47 Ca 0.28 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1hqh s VAL 47 Cb -0.15 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1hqh s VAL 47 CO 0.12 0.29 0.09 -0.60 0.00 0.00 0.00 175.10 175.00 1hqh s ARG 48 N -1.75 0.08 -0.36 2.72 3.52 0.29 -4.90 118.95 118.56 1hqh s ARG 48 Ca 0.20 0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.85 1hqh s ARG 48 Cb -0.11 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 1hqh s ARG 48 CO 0.11 -0.06 0.23 0.34 -0.81 0.00 0.00 175.30 175.11 1hqh s ASP 49 N 0.37 5.91 0.00 -2.12 -1.08 -1.26 -0.70 116.67 117.79 1hqh s ASP 49 Ca -0.03 -0.65 0.17 0.00 -0.52 0.00 0.00 52.55 51.52 1hqh s ASP 49 Cb -0.04 -2.10 1.01 0.00 -1.46 0.00 0.00 42.92 40.34 1hqh s ASP 49 CO -0.01 -0.30 1.65 1.57 0.52 0.00 0.00 175.17 178.60 1hqh n HIS 50 N 5.07 0.00 -3.27 -5.34 -0.00 -0.54 -4.95 115.22 106.20 1hqh n HIS 50 Ca -0.12 -0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.63 1hqh n HIS 50 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.47 1hqh n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1hqh n GLY 51 N 0.77 -1.71 3.49 1.57 0.00 -1.26 -4.77 105.19 103.28 1hqh n GLY 51 Ca 0.13 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1hqh n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqh s ASP 52 N -4.19 5.21 0.98 1.61 1.01 -1.26 -2.90 116.67 117.13 1hqh s ASP 52 Ca 0.00 -0.15 -0.15 0.00 0.71 0.00 0.00 52.55 52.97 1hqh s ASP 52 Cb 0.00 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 1hqh s ASP 52 CO 0.00 0.02 -0.04 0.18 0.21 0.00 0.00 175.17 175.54 1hqh n LEU 53 N 4.57 -2.22 -4.34 1.23 4.77 -0.89 -4.95 117.00 115.18 1hqh n LEU 53 Ca -0.16 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 1hqh n LEU 53 Cb 0.52 -1.04 -0.15 0.00 -2.33 0.00 0.00 43.42 40.42 1hqh n LEU 53 CO 0.32 -4.34 -0.49 0.00 -1.33 0.00 0.00 177.39 171.56 1hqh s ALA 54 N -2.26 2.48 -0.48 -1.18 0.00 -1.26 -4.75 121.76 114.31 1hqh s ALA 54 Ca 0.51 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1hqh s ALA 54 Cb -0.19 -1.04 0.13 0.00 0.00 0.00 0.00 23.12 22.02 1hqh s ALA 54 CO 0.72 0.31 0.30 -0.06 0.00 0.00 0.00 175.76 177.03 1hqh s PHE 55 N 0.17 3.52 0.16 0.00 0.08 -1.26 -5.07 117.98 115.58 1hqh s PHE 55 Ca -0.09 -2.39 -0.34 0.00 0.12 0.00 0.00 56.93 54.22 1hqh s PHE 55 Cb -0.16 -3.28 -0.15 0.00 -0.57 0.00 0.00 43.02 38.87 1hqh s PHE 55 CO 0.06 -0.95 1.45 1.33 -0.10 0.00 0.00 175.22 177.01 1hqh n VAL 56 N 4.37 0.26 -3.07 -0.44 0.24 -1.26 -4.92 118.33 113.50 1hqh n VAL 56 Ca -0.00 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 1hqh n VAL 56 Cb 0.40 -1.29 -0.06 0.00 -1.47 0.00 0.00 33.84 31.42 1hqh n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hqh s ASP 57 N 0.61 6.56 -0.32 -1.34 -1.08 -1.26 -4.89 116.67 114.95 1hqh s ASP 57 Ca 0.78 0.56 -0.28 0.00 -0.52 0.00 0.00 52.55 53.08 1hqh s ASP 57 Cb -0.75 -2.35 -0.03 0.00 -1.46 0.00 0.00 42.92 38.33 1hqh s ASP 57 CO 0.43 -0.48 1.90 -0.69 0.52 0.00 0.00 175.17 176.85 1hqh s VAL 58 N 2.66 3.36 0.45 1.11 1.01 -1.26 -4.95 120.40 122.79 1hqh s VAL 58 Ca 0.27 0.36 -0.25 0.00 0.00 0.00 0.00 61.98 62.36 1hqh s VAL 58 Cb -0.15 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1hqh s VAL 58 CO 0.11 -0.33 1.44 -0.81 0.00 0.00 0.00 175.10 175.51 1hqh n PRO 59 N 8.53 2.27 -3.55 2.72 -0.04 -1.26 -3.38 135.00 140.29 1hqh n PRO 59 Ca 0.25 0.81 -0.21 0.00 -0.04 0.00 0.00 63.50 64.31 1hqh n PRO 59 Cb 0.47 -2.64 0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1hqh n PRO 59 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1hqh n ASN 60 N -0.19 -5.85 -4.55 3.54 5.15 -1.26 -4.87 115.26 107.24 1hqh n ASN 60 Ca 0.05 -0.74 -0.42 0.00 -0.60 0.00 0.00 54.58 52.87 1hqh n ASN 60 Cb 0.41 -3.31 -0.03 0.00 -0.53 0.00 0.00 39.78 36.33 1hqh n ASN 60 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1hqh s ASP 61 N -3.17 6.35 0.12 1.20 -1.08 -1.22 -5.00 116.67 113.87 1hqh s ASP 61 Ca 0.18 -0.21 -0.30 0.00 -0.52 0.00 0.00 52.55 51.69 1hqh s ASP 61 Cb -0.07 -2.51 -0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1hqh s ASP 61 CO 0.84 -1.45 1.00 -0.44 0.52 0.00 0.00 175.17 175.64 1hqh s SER 62 N 3.09 7.43 -1.07 -0.34 0.01 -1.26 -4.64 113.70 116.92 1hqh s SER 62 Ca 0.36 1.86 -0.23 0.00 1.31 0.00 0.00 55.95 59.24 1hqh s SER 62 Cb -0.10 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1hqh s SER 62 CO 0.21 -0.12 1.91 -2.84 0.41 0.00 0.00 173.24 172.80 1hqh s PRO 63 N 0.01 2.65 -0.92 12.44 0.02 -1.26 -4.54 135.00 143.40 1hqh s PRO 63 Ca 0.48 -0.87 -0.14 0.00 0.02 0.00 0.00 61.00 60.49 1hqh s PRO 63 Cb -0.25 -5.19 -0.27 0.00 0.02 0.00 0.00 34.50 28.80 1hqh s PRO 63 CO 0.31 -3.57 2.21 0.34 -0.33 0.00 0.00 177.00 175.95 1hqh n PHE 64 N 13.65 0.35 0.00 6.54 7.35 -0.99 -4.26 117.46 140.09 1hqh n PHE 64 Ca 0.43 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1hqh n PHE 64 Cb 0.47 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 39.16 1hqh n PHE 64 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1hqh n GLN 65 N 6.47 0.00 0.02 -4.13 6.02 -1.26 -2.79 117.38 121.71 1hqh n GLN 65 Ca 0.60 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 57.39 1hqh n GLN 65 Cb 0.23 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.35 1hqh n GLN 65 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1hqh h ILE 66 N 0.00 1.31 -0.85 5.09 2.04 -1.89 -3.46 117.51 119.75 1hqh h ILE 66 Ca 0.00 -2.46 -0.70 0.00 1.00 0.00 0.00 64.86 62.70 1hqh h ILE 66 Cb 0.00 2.98 0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1hqh h ILE 66 CO 0.00 0.69 0.25 0.52 0.00 0.00 0.00 178.15 179.61 1hqh n VAL 67 N -4.08 0.00 -4.06 1.67 0.31 -1.12 -3.84 118.33 107.21 1hqh n VAL 67 Ca -0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 1hqh n VAL 67 Cb 0.83 -0.16 -0.04 0.00 -0.91 0.00 0.00 33.84 33.56 1hqh n VAL 67 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1hqh s LYS 68 N 0.94 2.93 -0.94 5.55 1.02 -1.08 -2.35 119.74 125.81 1hqh s LYS 68 Ca 0.82 -1.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1hqh s LYS 68 Cb -1.15 -2.58 0.12 0.00 -0.52 0.00 0.00 37.83 33.70 1hqh s LYS 68 CO 0.56 0.36 0.30 0.09 -0.92 0.00 0.00 175.35 175.74 1hqh n ASN 69 N -1.22 -1.09 -0.19 2.83 3.02 -1.26 -4.75 115.26 112.59 1hqh n ASN 69 Ca -0.07 -0.53 0.22 0.00 -0.03 0.00 0.00 54.58 54.17 1hqh n ASN 69 Cb 0.58 -0.98 0.59 0.00 -0.61 0.00 0.00 39.78 39.37 1hqh n ASN 69 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1hqh h PRO 70 N -0.43 0.23 -0.06 3.52 0.13 -1.82 -2.22 132.00 131.36 1hqh h PRO 70 Ca -0.30 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.63 1hqh h PRO 70 Cb 0.87 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.96 1hqh h PRO 70 CO 0.45 0.15 -0.68 0.00 -0.23 0.00 0.00 178.00 177.69 1hqh h ARG 71 N 0.24 0.56 -0.48 0.86 3.08 -1.85 -0.76 114.38 116.03 1hqh h ARG 71 Ca 0.43 -0.53 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1hqh h ARG 71 Cb 1.30 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 1hqh h ARG 71 CO -0.10 1.15 0.31 0.77 -1.07 0.00 0.00 179.97 181.02 1hqh h SER 72 N 0.16 0.52 0.67 7.04 0.02 -1.75 -1.04 113.55 119.17 1hqh h SER 72 Ca -0.07 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1hqh h SER 72 Cb 1.34 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1hqh h SER 72 CO 0.14 0.38 0.00 0.52 -1.14 0.00 0.00 176.83 176.72 1hqh n VAL 73 N -4.77 0.82 -0.00 2.27 0.31 -0.89 -2.01 118.33 114.05 1hqh n VAL 73 Ca 0.02 0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 64.38 1hqh n VAL 73 Cb 0.04 -0.96 -0.14 0.00 -0.91 0.00 0.00 33.84 31.87 1hqh n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hqh n GLY 74 N 0.24 -0.75 0.13 2.92 0.00 -0.30 -3.42 105.19 104.02 1hqh n GLY 74 Ca 0.04 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1hqh n GLY 74 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hqh h LYS 75 N 0.04 0.38 -0.56 1.61 1.63 -1.29 -1.98 116.57 116.39 1hqh h LYS 75 Ca -0.36 -0.65 -0.01 0.00 -0.85 0.00 0.00 60.65 58.78 1hqh h LYS 75 Cb 2.03 0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 33.87 1hqh h LYS 75 CO 0.09 1.29 0.30 0.00 -3.45 0.00 0.00 179.45 177.67 1hqh h ALA 76 N 0.34 0.72 -0.13 5.00 0.00 -1.59 0.18 119.26 123.78 1hqh h ALA 76 Ca -0.24 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1hqh h ALA 76 Cb 2.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1hqh h ALA 76 CO 0.21 0.26 -0.53 -0.91 0.00 0.00 0.00 179.25 178.28 1hqh h ASN 77 N 0.76 0.42 0.06 0.00 2.35 -1.64 -1.81 115.58 115.71 1hqh h ASN 77 Ca 0.20 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1hqh h ASN 77 Cb 0.07 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1hqh h ASN 77 CO -0.03 0.87 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.52 1hqh h GLU 78 N 0.30 -0.07 -0.69 0.81 4.81 -0.98 -2.12 114.58 116.63 1hqh h GLU 78 Ca 0.01 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1hqh h GLU 78 Cb 1.03 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.35 1hqh h GLU 78 CO 0.09 0.34 0.32 0.37 -0.73 0.00 0.00 179.01 179.40 1hqh h GLN 79 N -0.51 0.52 0.66 1.92 4.15 -0.65 -2.72 115.11 118.48 1hqh h GLN 79 Ca -0.01 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1hqh h GLN 79 Cb 0.45 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.03 1hqh h GLN 79 CO 0.01 0.34 -0.32 1.25 -1.93 0.00 0.00 178.83 178.19 1hqh h LEU 80 N 0.53 -0.75 -0.91 -2.39 5.85 -1.29 -2.67 115.31 113.70 1hqh h LEU 80 Ca 0.35 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.34 1hqh h LEU 80 Cb 0.41 0.19 -0.17 0.00 0.37 0.00 0.00 40.66 41.46 1hqh h LEU 80 CO -0.29 -0.51 0.02 0.00 -0.34 0.00 0.00 178.44 177.32 1hqh n ALA 81 N -2.48 0.47 0.26 1.25 0.00 -0.80 0.42 120.51 119.63 1hqh n ALA 81 Ca -0.11 0.97 -0.16 0.00 0.00 0.00 0.00 53.44 54.14 1hqh n ALA 81 Cb 0.35 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 1hqh n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqh h ALA 82 N 1.81 -0.76 -0.94 0.00 0.00 -1.38 0.42 119.26 118.40 1hqh h ALA 82 Ca 0.55 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.47 1hqh h ALA 82 Cb 1.14 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 1hqh h ALA 82 CO -0.85 -0.95 0.60 0.28 0.00 0.00 0.00 179.25 178.33 1hqh h VAL 83 N -0.75 0.83 0.33 0.00 2.07 0.32 -1.04 116.25 118.01 1hqh h VAL 83 Ca -0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1hqh h VAL 83 Cb 0.64 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1hqh h VAL 83 CO 0.00 0.14 -0.16 0.58 0.02 0.00 0.00 177.57 178.16 1hqh h VAL 84 N 0.78 0.68 -0.78 2.57 2.07 -0.60 -2.85 116.25 118.12 1hqh h VAL 84 Ca 0.49 -0.50 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1hqh h VAL 84 Cb 0.71 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1hqh h VAL 84 CO -0.25 0.10 0.53 0.00 0.02 0.00 0.00 177.57 177.97 1hqh h ALA 85 N -0.17 2.33 0.62 1.67 0.00 -0.35 0.29 119.26 123.66 1hqh h ALA 85 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1hqh h ALA 85 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1hqh h ALA 85 CO 0.07 -0.56 -0.30 1.49 0.00 0.00 0.00 179.25 179.96 1hqh h GLU 86 N 0.27 -0.80 -0.11 0.00 4.57 -1.00 0.49 114.58 118.00 1hqh h GLU 86 Ca 0.39 0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.47 1hqh h GLU 86 Cb 1.12 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1hqh h GLU 86 CO -0.10 -0.53 -0.58 1.79 -1.18 0.00 0.00 179.01 178.42 1hqh h THR 87 N -0.84 1.36 -0.39 0.32 1.35 -1.14 -2.60 112.91 110.97 1hqh h THR 87 Ca -0.08 -1.89 0.01 0.00 -0.55 0.00 0.00 66.41 63.89 1hqh h THR 87 Cb 0.64 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.95 1hqh h THR 87 CO 0.14 0.57 0.26 1.56 -0.25 0.00 0.00 175.52 177.80 1hqh h GLN 88 N 0.26 0.49 0.23 4.72 1.08 -0.30 -2.18 115.11 119.42 1hqh h GLN 88 Ca -0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1hqh h GLN 88 Cb 1.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1hqh h GLN 88 CO 0.10 0.33 -0.11 -0.22 -0.95 0.00 0.00 178.83 177.97 1hqh h LYS 89 N 0.51 -0.30 0.00 1.46 3.64 -0.51 -2.65 116.57 118.72 1hqh h LYS 89 Ca 0.15 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1hqh h LYS 89 Cb -0.03 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1hqh h LYS 89 CO -0.03 -0.11 0.00 0.09 -2.27 0.00 0.00 179.45 177.13 1hqh n ASN 90 N -5.17 0.00 0.00 4.20 3.02 -0.88 -4.84 115.26 111.59 1hqh n ASN 90 Ca -0.09 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1hqh n ASN 90 Cb 0.19 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1hqh n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqh n GLY 91 N -0.87 0.76 3.91 7.41 0.00 -1.00 -5.08 105.19 110.32 1hqh n GLY 91 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1hqh n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hqh s THR 92 N -2.21 4.93 -0.23 2.61 -4.23 -0.87 -4.69 115.64 110.96 1hqh s THR 92 Ca 0.00 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 1hqh s THR 92 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1hqh s THR 92 CO 0.00 -0.76 0.52 -0.63 -0.54 0.00 0.00 174.62 173.20 1hqh s ILE 93 N -2.63 5.09 -0.12 2.99 1.01 -0.68 -4.27 121.20 122.59 1hqh s ILE 93 Ca 0.47 0.92 -0.24 0.00 0.00 0.00 0.00 60.65 61.80 1hqh s ILE 93 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1hqh s ILE 93 CO 0.42 0.14 0.77 -0.94 0.00 0.00 0.00 174.94 175.32 1hqh s SER 94 N 1.32 6.97 -0.61 3.58 1.04 -0.81 -2.12 113.70 123.07 1hqh s SER 94 Ca 0.23 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1hqh s SER 94 Cb -0.15 -2.43 0.15 0.00 0.10 0.00 0.00 66.02 63.69 1hqh s SER 94 CO 0.09 -0.26 0.40 -0.69 0.98 0.00 0.00 173.24 173.76 1hqh s VAL 95 N 1.49 3.31 0.21 5.02 1.01 -0.89 0.69 120.40 131.25 1hqh s VAL 95 Ca 0.38 -3.22 -0.30 0.00 0.00 0.00 0.00 61.98 58.84 1hqh s VAL 95 Cb -0.17 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 1hqh s VAL 95 CO 0.16 -0.87 1.08 -0.69 0.00 0.00 0.00 175.10 174.78 1hqh s VAL 96 N -0.31 3.80 -0.20 2.92 1.01 0.18 -2.30 120.40 125.49 1hqh s VAL 96 Ca 0.18 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1hqh s VAL 96 Cb -0.21 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1hqh s VAL 96 CO -0.03 0.32 -0.12 -0.76 0.00 0.00 0.00 175.10 174.51 1hqh s LEU 97 N -0.71 2.57 0.66 3.92 1.43 0.36 -1.48 118.68 125.42 1hqh s LEU 97 Ca 0.47 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1hqh s LEU 97 Cb -0.30 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.39 1hqh s LEU 97 CO 0.36 -0.02 0.93 -0.83 0.23 0.00 0.00 176.35 177.02 1hqh s GLY 98 N 1.37 1.77 0.15 -3.19 0.00 -0.59 -0.05 107.32 106.79 1hqh s GLY 98 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1hqh s GLY 98 CO -0.08 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1hqh n GLY 99 N -2.71 -3.40 3.31 0.20 0.00 0.19 -2.47 105.19 100.31 1hqh n GLY 99 Ca 0.10 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1hqh n GLY 99 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hqh s ASP 100 N -2.61 -0.86 0.00 1.61 1.47 -0.95 -2.12 116.67 113.21 1hqh s ASP 100 Ca 0.00 1.07 0.30 0.00 1.18 0.00 0.00 52.55 55.10 1hqh s ASP 100 Cb 0.00 -1.57 1.36 0.00 -0.34 0.00 0.00 42.92 42.37 1hqh s ASP 100 CO 0.00 -5.27 1.97 1.57 0.68 0.00 0.00 175.17 174.12 1hqh n HIS 101 N -5.59 0.00 1.08 2.11 -0.00 -1.26 -3.42 115.22 108.14 1hqh n HIS 101 Ca 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.91 1hqh n HIS 101 Cb 0.58 -0.37 0.53 0.00 -0.00 0.00 0.00 29.99 30.73 1hqh n HIS 101 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1hqh n SER 102 N -1.36 0.00 -0.13 0.26 3.41 -1.26 -1.82 113.62 112.71 1hqh n SER 102 Ca 0.11 -0.42 0.08 0.00 -0.26 0.00 0.00 58.87 58.39 1hqh n SER 102 Cb 0.29 -0.08 0.43 0.00 -0.26 0.00 0.00 64.21 64.59 1hqh n SER 102 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1hqh n MET 103 N -1.08 1.17 -0.07 4.33 2.81 -1.22 -3.15 117.12 119.91 1hqh n MET 103 Ca 0.13 -0.26 -0.15 0.00 -1.81 0.00 0.00 57.70 55.60 1hqh n MET 103 Cb 0.09 -1.27 -0.05 0.00 -0.71 0.00 0.00 33.22 31.28 1hqh n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hqh h ALA 104 N 3.59 0.43 -0.63 3.04 0.00 -1.65 -2.03 119.26 122.01 1hqh h ALA 104 Ca 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1hqh h ALA 104 Cb 0.11 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 1hqh h ALA 104 CO 0.00 0.66 -0.10 0.82 0.00 0.00 0.00 179.25 180.63 1hqh h ILE 105 N 0.63 0.40 0.00 0.00 2.04 -1.80 0.92 117.51 119.71 1hqh h ILE 105 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1hqh h ILE 105 Cb 1.18 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1hqh h ILE 105 CO 0.13 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1hqh n GLY 106 N -1.41 -1.65 0.14 5.37 0.00 -1.14 -2.56 105.19 103.93 1hqh n GLY 106 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1hqh n GLY 106 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hqh n SER 107 N -0.48 -0.16 -0.04 1.61 2.88 -0.78 -0.44 113.62 116.22 1hqh n SER 107 Ca 0.00 0.67 -0.14 0.00 -1.33 0.00 0.00 58.87 58.07 1hqh n SER 107 Cb 0.00 -0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 63.18 1hqh n SER 107 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1hqh h ILE 108 N 0.00 1.39 0.08 2.46 2.04 -0.94 -2.77 117.51 119.77 1hqh h ILE 108 Ca 0.18 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.55 1hqh h ILE 108 Cb 0.27 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1hqh h ILE 108 CO -0.40 0.44 -0.24 0.28 0.00 0.00 0.00 178.15 178.23 1hqh h SER 109 N -0.11 -0.67 -0.24 1.72 0.02 -0.47 0.31 113.55 114.11 1hqh h SER 109 Ca 0.00 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1hqh h SER 109 Cb 0.81 0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 1hqh h SER 109 CO 0.05 -0.32 -0.17 1.23 -1.14 0.00 0.00 176.83 176.48 1hqh h GLY 110 N -0.41 -0.02 0.19 -3.77 0.00 -1.54 -1.73 103.07 95.79 1hqh h GLY 110 Ca 0.04 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1hqh h GLY 110 CO -0.16 -0.17 -0.22 0.84 0.00 0.00 0.00 176.54 176.83 1hqh h HIS 111 N -0.16 -0.59 -0.87 5.60 6.17 -1.12 -1.58 115.15 122.60 1hqh h HIS 111 Ca 0.13 0.04 0.23 0.00 0.71 0.00 0.00 60.37 61.48 1hqh h HIS 111 Cb 0.36 0.30 -0.14 0.00 2.52 0.00 0.00 27.41 30.45 1hqh h HIS 111 CO -0.33 -0.30 0.21 0.00 0.71 0.00 0.00 177.93 178.21 1hqh h ALA 112 N 0.83 1.23 -0.46 5.26 0.00 0.46 -1.68 119.26 124.90 1hqh h ALA 112 Ca 0.13 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1hqh h ALA 112 Cb 0.44 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1hqh h ALA 112 CO -0.37 -0.47 -0.40 0.00 0.00 0.00 0.00 179.25 178.01 1hqh h ARG 113 N 0.19 -0.16 0.00 0.00 3.08 -0.57 0.22 114.38 117.14 1hqh h ARG 113 Ca 0.54 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.54 1hqh h ARG 113 Cb 1.08 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1hqh h ARG 113 CO -0.66 -0.11 -0.30 0.28 -1.07 0.00 0.00 179.97 178.11 1hqh h VAL 114 N -0.17 1.04 -2.52 2.04 2.07 -1.40 -3.37 116.25 113.95 1hqh h VAL 114 Ca 0.08 -1.08 -0.57 0.00 0.82 0.00 0.00 66.70 65.95 1hqh h VAL 114 Cb 0.37 1.61 -0.38 0.00 -1.52 0.00 0.00 31.29 31.37 1hqh h VAL 114 CO -0.52 0.29 -0.85 -1.00 0.02 0.00 0.00 177.57 175.51 1hqh s HIS 115 N -4.15 0.66 -2.02 1.57 3.76 -0.33 -4.97 115.29 109.80 1hqh s HIS 115 Ca -0.02 -1.60 0.21 0.00 -0.15 0.00 0.00 55.06 53.50 1hqh s HIS 115 Cb 0.14 -0.87 1.24 0.00 1.11 0.00 0.00 32.58 34.20 1hqh s HIS 115 CO 0.69 -0.84 1.80 -0.35 -0.85 0.00 0.00 174.74 175.19 1hqh n PRO 116 N 3.99 1.05 0.00 8.40 -0.04 0.64 -2.91 135.00 146.12 1hqh n PRO 116 Ca 0.13 -0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1hqh n PRO 116 Cb 0.38 -1.34 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1hqh n PRO 116 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1hqh n ASP 117 N -0.76 1.36 -4.47 3.54 5.75 -1.26 -4.98 116.55 115.73 1hqh n ASP 117 Ca 0.16 -1.09 -0.36 0.00 -0.01 0.00 0.00 54.79 53.49 1hqh n ASP 117 Cb 0.09 0.47 0.07 0.00 -1.03 0.00 0.00 41.12 40.72 1hqh n ASP 117 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hqh n LEU 118 N -0.69 0.92 -4.40 -2.12 -0.00 -1.15 -4.61 117.00 104.96 1hqh n LEU 118 Ca 0.08 0.61 -0.29 0.00 -0.00 0.00 0.00 56.01 56.42 1hqh n LEU 118 Cb 0.39 -1.22 -0.13 0.00 -0.00 0.00 0.00 43.42 42.47 1hqh n LEU 118 CO 0.32 -3.07 -0.56 0.00 -0.00 0.00 0.00 177.39 174.08 1hqh s VAL 120 N -1.18 2.47 -0.27 0.00 1.01 0.04 -0.81 120.40 121.65 1hqh s VAL 120 Ca 0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1hqh s VAL 120 Cb -0.10 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1hqh s VAL 120 CO 0.07 0.56 0.00 -0.63 0.00 0.00 0.00 175.10 175.10 1hqh s ILE 121 N 0.03 3.33 -0.81 2.22 1.01 -0.37 -0.77 121.20 125.84 1hqh s ILE 121 Ca -0.08 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1hqh s ILE 121 Cb -0.15 -2.73 0.21 0.00 0.01 0.00 0.00 42.46 39.81 1hqh s ILE 121 CO 0.05 0.11 0.73 0.86 0.00 0.00 0.00 174.94 176.70 1hqh s TRP 122 N 1.39 3.73 -0.59 3.97 -0.11 0.14 -1.54 118.94 125.93 1hqh s TRP 122 Ca 0.01 -2.17 -0.26 0.00 1.22 0.00 0.00 56.10 54.89 1hqh s TRP 122 Cb -0.17 -3.71 0.04 0.00 -1.50 0.00 0.00 33.47 28.13 1hqh s TRP 122 CO -0.01 -0.96 1.09 0.08 -4.62 0.00 0.00 176.95 172.53 1hqh s VAL 123 N 0.01 4.15 0.09 5.86 1.01 -0.62 -1.74 120.40 129.16 1hqh s VAL 123 Ca 0.19 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 1hqh s VAL 123 Cb -0.12 -4.67 0.05 0.00 0.00 0.00 0.00 36.38 31.64 1hqh s VAL 123 CO -0.08 -1.32 0.48 -0.62 0.00 0.00 0.00 175.10 173.56 1hqh s ASP 124 N 3.04 -0.37 0.11 3.32 -1.08 -0.73 0.60 116.67 121.55 1hqh s ASP 124 Ca 0.36 -0.04 -0.05 0.00 -0.52 0.00 0.00 52.55 52.30 1hqh s ASP 124 Cb -0.10 0.49 -0.17 0.00 -1.46 0.00 0.00 42.92 41.68 1hqh s ASP 124 CO 0.21 -0.79 1.24 0.00 0.52 0.00 0.00 175.17 176.34 1hqh h ALA 125 N 2.55 0.25 -2.27 3.66 0.00 -1.80 -2.58 119.26 119.07 1hqh h ALA 125 Ca -0.32 -0.77 -0.51 0.00 0.00 0.00 0.00 54.91 53.30 1hqh h ALA 125 Cb 1.24 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1hqh h ALA 125 CO 0.43 0.86 -0.53 -1.01 0.00 0.00 0.00 179.25 179.00 1hqh s HIS 126 N -3.04 3.14 -0.09 0.00 3.76 -1.26 -0.27 115.29 117.53 1hqh s HIS 126 Ca -0.05 -0.09 0.15 0.00 -0.15 0.00 0.00 55.06 54.91 1hqh s HIS 126 Cb 0.08 -1.43 -0.18 0.00 1.11 0.00 0.00 32.58 32.17 1hqh s HIS 126 CO 0.88 0.52 0.76 0.25 -0.85 0.00 0.00 174.74 176.29 1hqh n THR 127 N -1.07 1.38 -2.33 1.30 -2.24 -1.26 -4.90 114.28 105.16 1hqh n THR 127 Ca -0.08 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.83 1hqh n THR 127 Cb 0.57 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1hqh n THR 127 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hqh n ASP 128 N -2.96 -4.16 -1.74 3.42 8.00 -1.26 -4.71 116.55 113.14 1hqh n ASP 128 Ca -0.13 0.18 0.07 0.00 0.71 0.00 0.00 54.79 55.63 1hqh n ASP 128 Cb 0.93 -3.55 0.37 0.00 -0.02 0.00 0.00 41.12 38.86 1hqh n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqh n ILE 129 N -3.32 2.34 -2.20 0.53 3.06 -1.26 -2.17 119.36 116.35 1hqh n ILE 129 Ca -0.16 -1.26 -0.33 0.00 -2.50 0.00 0.00 62.75 58.49 1hqh n ILE 129 Cb 0.61 -0.16 -0.00 0.00 0.54 0.00 0.00 39.64 40.62 1hqh n ILE 129 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 1hqh s ASN 130 N -0.78 5.87 0.45 9.51 0.01 -1.19 -4.57 114.94 124.23 1hqh s ASN 130 Ca 0.51 1.93 0.07 0.00 -0.71 0.00 0.00 52.86 54.66 1hqh s ASN 130 Cb 0.37 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.47 1hqh s ASN 130 CO 0.18 -1.11 0.36 0.42 -1.51 0.00 0.00 177.10 175.45 1hqh s THR 131 N -2.19 2.39 -1.12 1.60 -4.23 -1.26 -4.34 115.64 106.48 1hqh s THR 131 Ca 0.67 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1hqh s THR 131 Cb -0.18 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1hqh s THR 131 CO 0.31 0.00 1.02 -2.65 -0.54 0.00 0.00 174.62 172.75 1hqh n PRO 132 N -1.56 0.01 0.00 3.99 -0.02 -1.26 -1.24 135.00 134.92 1hqh n PRO 132 Ca 0.02 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1hqh n PRO 132 Cb 0.63 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.80 1hqh n PRO 132 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1hqh n LEU 133 N -1.44 1.61 -0.02 2.45 4.77 -1.26 -4.56 117.00 118.55 1hqh n LEU 133 Ca 0.01 -0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 55.41 1hqh n LEU 133 Cb 0.02 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1hqh n LEU 133 CO 0.02 0.30 -0.61 0.35 -1.33 0.00 0.00 177.39 176.11 1hqh n THR 134 N -0.22 0.18 -0.94 -5.08 -2.24 -0.37 -5.08 114.28 100.53 1hqh n THR 134 Ca 0.11 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 1hqh n THR 134 Cb 0.42 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1hqh n THR 134 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hqh n THR 135 N -2.99 0.24 0.23 4.28 -2.24 -1.10 -4.87 114.28 107.83 1hqh n THR 135 Ca -0.06 -0.37 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1hqh n THR 135 Cb 0.55 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.86 1hqh n THR 135 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hqh n SER 136 N 1.78 2.19 -3.87 3.42 7.64 -1.26 -4.95 113.62 118.57 1hqh n SER 136 Ca 0.07 -1.62 -0.10 0.00 1.01 0.00 0.00 58.87 58.23 1hqh n SER 136 Cb 0.32 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 1hqh n SER 136 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hqh s SER 137 N -0.90 0.06 0.15 6.43 1.04 -1.26 -5.02 113.70 114.20 1hqh s SER 137 Ca 0.15 -0.38 0.24 0.00 0.48 0.00 0.00 55.95 56.44 1hqh s SER 137 Cb 0.09 0.26 0.91 0.00 0.10 0.00 0.00 66.02 67.39 1hqh s SER 137 CO 0.13 -0.52 1.72 0.61 0.98 0.00 0.00 173.24 176.16 1hqh n GLY 138 N 0.81 -1.39 3.50 7.32 0.00 -1.25 -4.66 105.19 109.51 1hqh n GLY 138 Ca -0.19 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1hqh n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqh n ASN 139 N -1.98 0.32 0.21 1.61 3.02 -1.26 -2.62 115.26 114.56 1hqh n ASN 139 Ca 0.04 0.11 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 1hqh n ASN 139 Cb 0.30 -0.94 0.46 0.00 -0.61 0.00 0.00 39.78 38.99 1hqh n ASN 139 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1hqh h LEU 140 N 12.35 0.00 0.00 3.41 3.38 -1.48 -2.23 115.31 130.74 1hqh h LEU 140 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1hqh h LEU 140 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1hqh h LEU 140 CO 1.39 0.29 0.03 0.00 0.09 0.00 0.00 178.44 180.24 1hqh n HIS 141 N -3.84 0.00 -1.58 1.13 1.44 -1.05 0.42 115.22 111.73 1hqh n HIS 141 Ca -0.01 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.68 1hqh n HIS 141 Cb 0.38 -0.20 0.18 0.00 0.12 0.00 0.00 29.99 30.47 1hqh n HIS 141 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1hqh n GLY 142 N -1.16 5.20 0.00 -1.39 0.00 -0.84 -4.38 105.19 102.62 1hqh n GLY 142 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1hqh n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hqh n GLN 143 N -1.08 2.45 -0.16 1.61 6.02 0.17 -3.17 117.38 123.22 1hqh n GLN 143 Ca 0.28 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.31 1hqh n GLN 143 Cb 0.86 -0.20 0.08 0.00 1.02 0.00 0.00 30.24 31.99 1hqh n GLN 143 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1hqh n PRO 144 N 0.00 -0.04 0.29 -1.09 -0.02 -1.07 0.13 135.00 133.21 1hqh n PRO 144 Ca 0.00 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 1hqh n PRO 144 Cb 0.00 -1.03 0.88 0.00 -0.02 0.00 0.00 33.50 33.33 1hqh n PRO 144 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1hqh h VAL 145 N 0.00 0.44 -0.29 -1.45 2.07 -1.79 -2.58 116.25 112.65 1hqh h VAL 145 Ca 0.23 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1hqh h VAL 145 Cb 0.38 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1hqh h VAL 145 CO -0.44 0.04 -0.00 0.00 0.02 0.00 0.00 177.57 177.19 1hqh h ALA 146 N 1.95 0.40 0.00 1.67 0.00 0.89 -0.10 119.26 124.07 1hqh h ALA 146 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1hqh h ALA 146 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hqh h ALA 146 CO 0.01 0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.59 1hqh n PHE 147 N -4.57 0.00 -0.02 0.00 3.01 -0.98 -3.29 117.46 111.60 1hqh n PHE 147 Ca -0.03 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.44 1hqh n PHE 147 Cb 0.26 -0.36 -0.07 0.00 -0.01 0.00 0.00 39.48 39.30 1hqh n PHE 147 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1hqh n LEU 148 N -1.36 0.00 -4.72 4.37 4.77 -1.05 -4.26 117.00 114.75 1hqh n LEU 148 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1hqh n LEU 148 Cb 0.18 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1hqh n LEU 148 CO 0.16 0.10 0.82 -0.76 -1.33 0.00 0.00 177.39 176.38 1hqh s LEU 149 N -4.11 4.40 0.01 2.23 1.43 -0.08 -2.12 118.68 120.45 1hqh s LEU 149 Ca -0.04 1.97 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 1hqh s LEU 149 Cb 0.05 -3.58 -0.20 0.00 0.03 0.00 0.00 46.19 42.49 1hqh s LEU 149 CO 0.39 -0.36 1.18 0.11 0.23 0.00 0.00 176.35 177.89 1hqh h LYS 150 N 6.34 0.34 0.00 1.70 1.57 -1.63 -2.99 116.57 121.90 1hqh h LYS 150 Ca -0.42 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 1hqh h LYS 150 Cb 1.21 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1hqh h LYS 150 CO 0.78 0.93 0.00 0.39 -0.57 0.00 0.00 179.45 180.97 1hqh n GLU 151 N -4.41 0.02 -0.05 3.15 4.71 -1.26 0.48 120.64 123.28 1hqh n GLU 151 Ca -0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.08 1hqh n GLU 151 Cb 0.51 -1.46 0.02 0.00 -1.01 0.00 0.00 31.44 29.50 1hqh n GLU 151 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1hqh n LEU 152 N -0.96 1.34 -4.71 -4.62 7.94 -1.14 -4.95 117.00 109.90 1hqh n LEU 152 Ca 0.00 -1.52 -0.42 0.00 -1.11 0.00 0.00 56.01 52.97 1hqh n LEU 152 Cb 0.00 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 43.86 1hqh n LEU 152 CO 0.00 0.37 1.03 -0.75 -1.11 0.00 0.00 177.39 176.93 1hqh s LYS 153 N -0.90 4.34 0.00 1.96 2.20 0.18 -2.55 119.74 124.96 1hqh s LYS 153 Ca 0.04 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 1hqh s LYS 153 Cb 0.04 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1hqh s LYS 153 CO 0.00 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1hqh n GLY 154 N 3.44 2.23 0.00 5.54 0.00 -1.26 -4.80 105.19 110.34 1hqh n GLY 154 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1hqh n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hqh n LYS 155 N -1.95 0.18 -3.70 1.61 4.76 -1.06 -4.63 118.16 113.38 1hqh n LYS 155 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1hqh n LYS 155 Cb 0.00 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.62 1hqh n LYS 155 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1hqh s PHE 156 N -2.01 -0.24 0.11 2.13 -0.71 -1.26 -4.97 117.98 111.02 1hqh s PHE 156 Ca 0.09 0.26 -0.34 0.00 -1.04 0.00 0.00 56.93 55.90 1hqh s PHE 156 Cb 0.04 0.17 -0.14 0.00 -1.21 0.00 0.00 43.02 41.88 1hqh s PHE 156 CO 0.07 -0.50 1.59 -0.35 -1.34 0.00 0.00 175.22 174.69 1hqh n PRO 157 N 0.79 2.00 -1.48 1.99 -0.04 -1.26 -4.86 135.00 132.15 1hqh n PRO 157 Ca -0.20 0.72 -0.46 0.00 -0.04 0.00 0.00 63.50 63.53 1hqh n PRO 157 Cb 0.58 -2.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 1hqh n PRO 157 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hqh n ASP 158 N 3.81 -0.23 -4.60 3.54 8.00 -1.26 -4.92 116.55 120.89 1hqh n ASP 158 Ca 0.18 1.14 -0.34 0.00 0.71 0.00 0.00 54.79 56.48 1hqh n ASP 158 Cb 0.27 -1.09 -0.11 0.00 -0.02 0.00 0.00 41.12 40.18 1hqh n ASP 158 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1hqh s VAL 159 N -1.04 4.26 -0.27 2.53 1.01 -1.26 -5.05 120.40 120.58 1hqh s VAL 159 Ca 0.62 -0.24 -0.36 0.00 0.00 0.00 0.00 61.98 62.00 1hqh s VAL 159 Cb -0.83 -2.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 1hqh s VAL 159 CO 0.58 0.53 2.02 -2.65 0.00 0.00 0.00 175.10 175.57 1hqh n PRO 160 N 3.01 1.38 0.00 2.72 -0.02 -1.26 -1.45 135.00 139.38 1hqh n PRO 160 Ca -0.18 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1hqh n PRO 160 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1hqh n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqh n GLY 161 N 5.49 1.16 0.09 -1.23 0.00 -1.26 -3.09 105.19 106.34 1hqh n GLY 161 Ca 0.33 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.43 1hqh n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hqh n PHE 162 N -1.90 0.00 -0.45 1.61 3.01 -0.53 -4.21 117.46 114.99 1hqh n PHE 162 Ca 0.00 0.00 0.36 0.00 1.01 0.00 0.00 57.45 58.82 1hqh n PHE 162 Cb 0.00 0.00 0.59 0.00 -0.01 0.00 0.00 39.48 40.06 1hqh n PHE 162 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1hqh n SER 163 N -1.09 0.10 0.12 4.37 3.41 -1.23 0.79 113.62 120.08 1hqh n SER 163 Ca 0.04 0.99 0.11 0.00 -0.26 0.00 0.00 58.87 59.75 1hqh n SER 163 Cb 0.28 -0.49 0.47 0.00 -0.26 0.00 0.00 64.21 64.21 1hqh n SER 163 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1hqh n TRP 164 N -4.01 0.69 -2.95 7.33 4.27 -1.26 -4.82 117.44 116.70 1hqh n TRP 164 Ca 0.34 0.28 -0.39 0.00 -3.89 0.00 0.00 57.50 53.84 1hqh n TRP 164 Cb 1.40 -0.96 -0.06 0.00 -1.36 0.00 0.00 31.31 30.34 1hqh n TRP 164 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1hqh s VAL 165 N -3.30 4.33 -0.26 -1.67 1.01 0.24 -5.06 120.40 115.69 1hqh s VAL 165 Ca 0.04 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1hqh s VAL 165 Cb 0.09 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.36 1hqh s VAL 165 CO 0.35 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 174.96 1hqh s THR 166 N -1.16 2.26 -0.57 3.92 2.01 -1.26 -5.05 115.64 115.79 1hqh s THR 166 Ca 0.37 -1.53 -0.37 0.00 0.31 0.00 0.00 61.69 60.46 1hqh s THR 166 Cb -0.23 -2.29 -0.16 0.00 0.01 0.00 0.00 72.50 69.82 1hqh s THR 166 CO 0.27 0.02 2.31 -2.65 -0.69 0.00 0.00 174.62 173.88 1hqh n PRO 167 N 4.47 0.41 0.03 4.92 -0.02 -1.26 -4.81 135.00 138.74 1hqh n PRO 167 Ca -0.15 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1hqh n PRO 167 Cb 0.43 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1hqh n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hqh s ILE 169 N -3.19 0.15 0.19 0.00 -0.00 -1.02 -4.97 121.20 112.35 1hqh s ILE 169 Ca 0.04 -1.21 0.05 0.00 -0.00 0.00 0.00 60.65 59.52 1hqh s ILE 169 Cb 0.14 -0.71 -0.04 0.00 -0.00 0.00 0.00 42.46 41.86 1hqh s ILE 169 CO 0.80 -0.67 0.24 -0.94 -0.00 0.00 0.00 174.94 174.37 1hqh s SER 170 N -1.97 5.94 0.00 4.36 1.04 -1.26 -1.86 113.70 119.95 1hqh s SER 170 Ca -0.08 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1hqh s SER 170 Cb -0.04 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1hqh s SER 170 CO -0.04 0.02 0.16 0.00 0.98 0.00 0.00 173.24 174.35 1hqh n ALA 171 N -0.75 1.18 0.21 5.32 0.00 -1.26 -0.48 120.51 124.72 1hqh n ALA 171 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.40 1hqh n ALA 171 Cb 0.55 -0.79 0.05 0.00 0.00 0.00 0.00 19.45 19.27 1hqh n ALA 171 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1hqh n LYS 172 N -0.59 0.83 -0.02 0.00 3.00 -1.26 -4.31 118.16 115.80 1hqh n LYS 172 Ca 0.00 -1.21 0.01 0.00 -0.00 0.00 0.00 58.31 57.11 1hqh n LYS 172 Cb 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 35.03 33.89 1hqh n LYS 172 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hqh n ASP 173 N 0.38 1.75 -4.40 3.14 8.00 0.37 -4.95 116.55 120.83 1hqh n ASP 173 Ca 0.06 -1.57 -0.30 0.00 0.71 0.00 0.00 54.79 53.68 1hqh n ASP 173 Cb 0.24 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.18 1hqh n ASP 173 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1hqh s ILE 174 N -0.63 2.43 -0.05 0.53 2.07 -1.25 -0.78 121.20 123.52 1hqh s ILE 174 Ca 0.05 -1.47 -0.02 0.00 -1.41 0.00 0.00 60.65 57.80 1hqh s ILE 174 Cb 0.03 -2.03 0.04 0.00 0.13 0.00 0.00 42.46 40.62 1hqh s ILE 174 CO 0.04 0.24 0.10 -0.69 -1.91 0.00 0.00 174.94 172.71 1hqh s VAL 175 N -0.96 -0.07 0.00 4.00 1.01 0.05 -4.19 120.40 120.24 1hqh s VAL 175 Ca 0.14 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1hqh s VAL 175 Cb -0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1hqh s VAL 175 CO 0.05 0.09 0.35 -0.31 0.00 0.00 0.00 175.10 175.28 1hqh s TYR 176 N 1.26 3.66 -0.10 5.22 2.02 -0.86 0.28 117.35 128.83 1hqh s TYR 176 Ca -0.08 0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 57.42 1hqh s TYR 176 Cb -0.12 -2.17 0.05 0.00 -0.40 0.00 0.00 41.96 39.32 1hqh s TYR 176 CO -0.05 0.63 0.12 0.42 -1.57 0.00 0.00 175.55 175.10 1hqh s ILE 177 N -1.17 -0.18 0.00 2.71 1.01 -0.71 -0.31 121.20 122.54 1hqh s ILE 177 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1hqh s ILE 177 Cb -0.15 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1hqh s ILE 177 CO 0.13 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1hqh n GLY 178 N 5.31 0.84 3.68 6.18 0.00 -0.34 -1.78 105.19 119.08 1hqh n GLY 178 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1hqh n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqh n LEU 179 N 0.00 3.24 0.00 0.99 4.77 -0.97 -4.03 117.00 121.00 1hqh n LEU 179 Ca 0.00 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1hqh n LEU 179 Cb 0.00 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 1hqh n LEU 179 CO 0.00 -0.34 0.01 -2.11 -1.33 0.00 0.00 177.39 173.62 1hqh n ARG 180 N 2.61 0.00 -3.06 3.23 1.85 0.63 -1.27 116.66 120.65 1hqh n ARG 180 Ca 0.13 -0.02 -0.18 0.00 -1.00 0.00 0.00 57.85 56.79 1hqh n ARG 180 Cb 0.31 -0.07 -0.03 0.00 -1.05 0.00 0.00 32.46 31.62 1hqh n ARG 180 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1hqh n ASP 181 N 0.00 -1.26 -4.75 2.89 2.03 -1.18 -5.06 116.55 109.23 1hqh n ASP 181 Ca 0.00 -2.81 -0.36 0.00 0.52 0.00 0.00 54.79 52.14 1hqh n ASP 181 Cb 0.31 0.35 -0.07 0.00 -0.72 0.00 0.00 41.12 40.98 1hqh n ASP 181 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1hqh s VAL 182 N -0.15 5.38 0.36 5.18 1.01 -1.26 -4.71 120.40 126.21 1hqh s VAL 182 Ca 0.33 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 1hqh s VAL 182 Cb 0.13 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1hqh s VAL 182 CO -0.16 0.44 1.04 -1.81 0.00 0.00 0.00 175.10 174.61 1hqh s ASP 183 N 0.24 6.95 0.15 3.32 1.01 -1.26 -4.84 116.67 122.24 1hqh s ASP 183 Ca 0.12 2.04 -0.29 0.00 0.71 0.00 0.00 52.55 55.12 1hqh s ASP 183 Cb -0.12 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.15 1hqh s ASP 183 CO 0.01 -0.35 1.51 -2.65 0.21 0.00 0.00 175.17 173.89 1hqh n PRO 184 N 0.26 -0.42 -0.11 8.23 -0.02 -1.26 -0.97 135.00 140.71 1hqh n PRO 184 Ca 0.03 1.48 -0.10 0.00 -2.02 0.00 0.00 63.50 62.89 1hqh n PRO 184 Cb 0.49 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1hqh n PRO 184 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1hqh h GLY 185 N 0.00 -0.60 0.17 -1.23 0.00 -1.93 -0.35 103.07 99.14 1hqh h GLY 185 Ca 0.15 0.55 0.14 0.00 0.00 0.00 0.00 47.33 48.18 1hqh h GLY 185 CO -0.89 -0.18 0.32 0.83 0.00 0.00 0.00 176.54 176.62 1hqh h GLU 186 N -0.35 0.46 -0.90 4.80 5.08 -1.45 -0.69 114.58 121.54 1hqh h GLU 186 Ca 0.13 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1hqh h GLU 186 Cb 0.59 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1hqh h GLU 186 CO -0.56 0.30 0.59 1.25 -1.00 0.00 0.00 179.01 179.59 1hqh h HIS 187 N 0.47 1.10 0.39 4.33 2.76 0.60 -0.79 115.15 124.01 1hqh h HIS 187 Ca 0.42 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.60 1hqh h HIS 187 Cb 0.62 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1hqh h HIS 187 CO -0.15 0.66 -0.28 -0.92 -1.30 0.00 0.00 177.93 175.94 1hqh h TYR 188 N 1.16 -0.76 -0.78 5.26 3.20 -0.11 -1.90 116.97 123.05 1hqh h TYR 188 Ca 0.34 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.38 1hqh h TYR 188 Cb -0.06 0.28 -0.11 0.00 1.54 0.00 0.00 36.73 38.38 1hqh h TYR 188 CO -0.01 -0.40 0.25 0.82 -1.64 0.00 0.00 178.16 177.18 1hqh h ILE 189 N -0.64 0.54 -0.03 1.81 2.04 -1.10 0.32 117.51 120.45 1hqh h ILE 189 Ca -0.05 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 1hqh h ILE 189 Cb 0.53 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1hqh h ILE 189 CO 0.02 0.06 -0.44 0.16 0.00 0.00 0.00 178.15 177.95 1hqh h ILE 190 N 0.34 1.32 0.01 -0.67 3.07 -1.10 0.28 117.51 120.76 1hqh h ILE 190 Ca 0.45 -1.55 -0.01 0.00 1.55 0.00 0.00 64.86 65.30 1hqh h ILE 190 Cb 0.77 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 1hqh h ILE 190 CO -0.49 0.45 -0.05 0.11 -1.05 0.00 0.00 178.15 177.11 1hqh h LYS 191 N 0.05 0.03 0.41 0.16 1.79 -0.41 -1.18 116.57 117.43 1hqh h LYS 191 Ca 0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1hqh h LYS 191 Cb 0.81 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1hqh h LYS 191 CO 0.06 0.93 -0.46 1.15 -1.08 0.00 0.00 179.45 180.05 1hqh h THR 192 N -0.86 0.00 0.00 -0.16 2.02 -0.37 -1.38 112.91 112.16 1hqh h THR 192 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1hqh h THR 192 Cb 0.95 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1hqh h THR 192 CO 0.01 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.08 1hqh n LEU 193 N -5.18 0.56 -3.59 2.58 4.32 0.08 -4.86 117.00 110.91 1hqh n LEU 193 Ca -0.10 -0.28 -0.21 0.00 -0.02 0.00 0.00 56.01 55.39 1hqh n LEU 193 Cb 0.41 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.93 1hqh n LEU 193 CO 0.22 0.14 -0.13 0.61 -1.22 0.00 0.00 177.39 177.02 1hqh n GLY 194 N 0.20 -0.64 3.87 -0.72 0.00 -0.52 -4.81 105.19 102.58 1hqh n GLY 194 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1hqh n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqh s ILE 195 N -3.33 4.91 -0.28 -0.61 1.01 -0.45 -4.82 121.20 117.63 1hqh s ILE 195 Ca 0.14 0.52 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 1hqh s ILE 195 Cb -0.08 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1hqh s ILE 195 CO 0.55 -0.05 0.44 -0.75 0.00 0.00 0.00 174.94 175.12 1hqh s LYS 196 N -2.76 3.94 0.35 2.79 2.47 -1.26 -4.92 119.74 120.35 1hqh s LYS 196 Ca 0.47 0.07 0.04 0.00 -1.56 0.00 0.00 55.97 54.98 1hqh s LYS 196 Cb -0.11 -3.69 -0.03 0.00 -1.46 0.00 0.00 37.83 32.53 1hqh s LYS 196 CO 0.21 -0.37 0.15 1.52 0.16 0.00 0.00 175.35 177.02 1hqh s TYR 197 N 2.19 1.72 -0.35 4.03 -0.85 -1.26 -2.03 117.35 120.79 1hqh s TYR 197 Ca 0.17 -1.32 0.02 0.00 -0.52 0.00 0.00 57.07 55.41 1hqh s TYR 197 Cb -0.16 -1.00 0.15 0.00 0.38 0.00 0.00 41.96 41.33 1hqh s TYR 197 CO 0.10 -0.42 0.31 -0.06 -1.52 0.00 0.00 175.55 173.97 1hqh s PHE 198 N -3.41 -0.00 0.80 -3.49 0.40 0.58 -4.89 117.98 107.96 1hqh s PHE 198 Ca 0.31 -0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 1hqh s PHE 198 Cb 0.04 -0.57 0.07 0.00 0.51 0.00 0.00 43.02 43.07 1hqh s PHE 198 CO 0.17 -0.92 1.10 -1.54 0.70 0.00 0.00 175.22 174.73 1hqh s SER 199 N 1.45 4.52 0.34 1.36 1.04 -1.26 -1.20 113.70 119.95 1hqh s SER 199 Ca 0.16 1.28 0.13 0.00 0.48 0.00 0.00 55.95 58.01 1hqh s SER 199 Cb -0.17 -2.01 1.03 0.00 0.10 0.00 0.00 66.02 64.96 1hqh s SER 199 CO -0.07 -1.95 1.69 0.24 0.98 0.00 0.00 173.24 174.13 1hqh h MET 200 N -1.08 0.40 -0.94 4.02 2.86 -1.42 0.54 114.93 119.31 1hqh h MET 200 Ca -0.47 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1hqh h MET 200 Cb 1.27 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 1hqh h MET 200 CO 0.60 0.26 0.61 1.79 1.06 0.00 0.00 176.91 181.23 1hqh h THR 201 N 0.41 1.25 -0.26 2.22 1.35 -1.90 0.79 112.91 116.77 1hqh h THR 201 Ca 0.70 -0.47 -0.04 0.00 -0.55 0.00 0.00 66.41 66.05 1hqh h THR 201 Cb 1.53 -0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1hqh h THR 201 CO -0.55 0.24 -0.00 -0.33 -0.25 0.00 0.00 175.52 174.64 1hqh h GLU 202 N 1.28 0.45 0.00 4.72 3.07 -0.29 0.10 114.58 123.92 1hqh h GLU 202 Ca 0.34 -0.14 0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1hqh h GLU 202 Cb -0.13 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1hqh h GLU 202 CO -0.07 0.62 -0.07 0.28 -1.40 0.00 0.00 179.01 178.37 1hqh h VAL 203 N 0.23 0.82 -0.63 3.13 2.07 -0.89 0.57 116.25 121.55 1hqh h VAL 203 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1hqh h VAL 203 Cb 0.42 0.82 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 1hqh h VAL 203 CO 0.01 0.00 -0.31 0.44 0.02 0.00 0.00 177.57 177.74 1hqh h ASP 204 N -0.12 -1.08 0.53 0.57 3.32 0.92 0.34 116.42 120.90 1hqh h ASP 204 Ca 0.03 0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1hqh h ASP 204 Cb 0.16 0.56 0.01 0.00 0.22 0.00 0.00 39.33 40.27 1hqh h ASP 204 CO -0.07 -0.29 -0.25 0.50 -1.72 0.00 0.00 179.24 177.40 1hqh h LYS 205 N -0.12 -0.68 -0.20 3.56 3.64 -0.02 -3.38 116.57 119.36 1hqh h LYS 205 Ca 0.26 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1hqh h LYS 205 Cb 0.55 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1hqh h LYS 205 CO -0.70 -0.46 -0.34 -0.07 -2.27 0.00 0.00 179.45 175.61 1hqh h LEU 206 N -0.95 0.65 0.00 5.20 3.38 0.28 -3.50 115.31 120.36 1hqh h LEU 206 Ca -0.07 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1hqh h LEU 206 Cb 0.54 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1hqh h LEU 206 CO 0.12 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1hqh n GLY 207 N 0.35 1.94 0.66 0.83 0.00 0.12 -4.45 105.19 104.64 1hqh n GLY 207 Ca -0.06 -1.28 0.50 0.00 0.00 0.00 0.00 46.02 45.18 1hqh n GLY 207 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hqh n ILE 208 N 2.45 -0.01 0.33 -0.61 0.13 -1.26 -0.29 119.36 120.10 1hqh n ILE 208 Ca 0.00 1.40 -0.18 0.00 -1.10 0.00 0.00 62.75 62.87 1hqh n ILE 208 Cb 0.00 -2.34 -0.09 0.00 -0.84 0.00 0.00 39.64 36.37 1hqh n ILE 208 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1hqh h GLY 209 N 0.00 -1.14 1.01 4.50 0.00 -1.95 -2.80 103.07 102.68 1hqh h GLY 209 Ca 0.88 0.51 -0.06 0.00 0.00 0.00 0.00 47.33 48.65 1hqh h GLY 209 CO -0.03 -0.38 0.10 1.70 0.00 0.00 0.00 176.54 177.93 1hqh h LYS 210 N -0.99 0.90 -0.53 4.80 1.63 -0.87 -2.86 116.57 118.65 1hqh h LYS 210 Ca -0.07 -0.24 0.07 0.00 -0.85 0.00 0.00 60.65 59.57 1hqh h LYS 210 Cb 0.84 -0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 32.26 1hqh h LYS 210 CO 0.01 0.87 -0.48 0.28 -3.45 0.00 0.00 179.45 176.67 1hqh h VAL 211 N 0.79 0.06 0.54 2.00 2.07 -1.34 0.19 116.25 120.57 1hqh h VAL 211 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1hqh h VAL 211 Cb 0.40 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1hqh h VAL 211 CO 0.01 0.00 -0.31 0.24 0.02 0.00 0.00 177.57 177.53 1hqh h MET 212 N -0.28 -0.77 -0.78 1.57 2.86 -1.51 0.11 114.93 116.14 1hqh h MET 212 Ca 0.14 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.97 1hqh h MET 212 Cb 0.57 0.17 -0.14 0.00 0.06 0.00 0.00 31.60 32.27 1hqh h MET 212 CO -0.66 -0.51 -0.25 -1.91 1.06 0.00 0.00 176.91 174.64 1hqh n GLU 213 N -5.45 -0.13 0.13 1.72 2.13 -0.64 0.19 120.64 118.60 1hqh n GLU 213 Ca -0.12 1.21 -0.06 0.00 0.66 0.00 0.00 57.16 58.84 1hqh n GLU 213 Cb 0.34 -1.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.22 1hqh n GLU 213 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1hqh h GLU 214 N 0.00 -0.40 -1.54 5.31 5.08 -0.36 -2.95 114.58 119.72 1hqh h GLU 214 Ca 0.32 0.03 0.48 0.00 -1.00 0.00 0.00 59.36 59.19 1hqh h GLU 214 Cb 0.52 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.75 1hqh h GLU 214 CO -0.79 -0.26 1.05 1.79 -1.00 0.00 0.00 179.01 179.80 1hqh h THR 215 N -1.06 0.09 0.00 1.13 1.35 0.35 0.41 112.91 115.18 1hqh h THR 215 Ca -0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1hqh h THR 215 Cb 0.31 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1hqh h THR 215 CO 0.07 0.01 0.00 0.49 -0.25 0.00 0.00 175.52 175.84 1hqh n PHE 216 N -4.41 0.00 -0.32 4.73 3.72 0.13 -2.03 117.46 119.28 1hqh n PHE 216 Ca 0.39 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 58.02 1hqh n PHE 216 Cb 1.63 -0.29 0.45 0.00 -0.94 0.00 0.00 39.48 40.34 1hqh n PHE 216 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1hqh h SER 217 N 0.00 0.14 -0.22 4.37 4.64 -1.05 1.40 113.55 122.83 1hqh h SER 217 Ca 0.00 0.24 0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1hqh h SER 217 Cb 0.00 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1hqh h SER 217 CO 0.00 -0.31 0.14 0.22 -0.87 0.00 0.00 176.83 176.02 1hqh h TYR 218 N 0.11 0.21 0.00 4.77 3.20 -0.29 0.62 116.97 125.59 1hqh h TYR 218 Ca 0.72 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.60 1hqh h TYR 218 Cb 1.71 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.91 1hqh h TYR 218 CO -0.16 0.13 -1.48 1.28 -1.64 0.00 0.00 178.16 176.29 1hqh n LEU 219 N -4.50 0.14 -1.87 2.82 4.77 0.40 -4.60 117.00 114.15 1hqh n LEU 219 Ca 0.01 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 55.88 1hqh n LEU 219 Cb 0.13 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1hqh n LEU 219 CO 0.35 0.04 0.10 0.18 -1.33 0.00 0.00 177.39 176.72 1hqh n LEU 220 N -1.88 1.96 0.05 2.23 4.77 0.30 -4.69 117.00 119.74 1hqh n LEU 220 Ca -0.02 -2.99 -0.09 0.00 -0.03 0.00 0.00 56.01 52.88 1hqh n LEU 220 Cb 0.36 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1hqh n LEU 220 CO 0.31 1.02 0.33 1.23 -1.33 0.00 0.00 177.39 178.95 1hqh h GLY 221 N 1.69 -0.23 0.00 -0.72 0.00 0.12 -3.43 103.07 100.50 1hqh h GLY 221 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hqh h GLY 221 CO 0.20 -0.08 0.00 0.54 0.00 0.00 0.00 176.54 177.20 1hqh n ARG 222 N -4.91 0.00 -3.27 4.80 1.74 -1.26 -4.90 116.66 108.86 1hqh n ARG 222 Ca -0.07 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 1hqh n ARG 222 Cb 0.25 -0.03 -0.07 0.00 -1.02 0.00 0.00 32.46 31.58 1hqh n ARG 222 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1hqh s LYS 223 N 0.00 4.18 -0.36 5.56 -0.14 -1.26 -5.03 119.74 122.68 1hqh s LYS 223 Ca 0.00 0.37 -0.29 0.00 -1.36 0.00 0.00 55.97 54.69 1hqh s LYS 223 Cb 0.00 -3.56 -0.00 0.00 -1.68 0.00 0.00 37.83 32.59 1hqh s LYS 223 CO 0.00 -0.14 1.56 0.15 -0.76 0.00 0.00 175.35 176.17 1hqh s LYS 224 N 1.60 3.52 0.09 1.68 3.01 -1.26 -4.65 119.74 123.73 1hqh s LYS 224 Ca 0.23 1.18 0.01 0.00 -1.01 0.00 0.00 55.97 56.38 1hqh s LYS 224 Cb -0.15 -4.08 0.01 0.00 -1.01 0.00 0.00 37.83 32.60 1hqh s LYS 224 CO 0.09 -1.63 0.10 2.89 0.51 0.00 0.00 175.35 177.31 1hqh n ARG 225 N 8.15 1.14 -3.11 1.68 0.00 -1.26 -5.12 116.66 118.14 1hqh n ARG 225 Ca 0.19 -0.53 -0.30 0.00 -0.00 0.00 0.00 57.85 57.21 1hqh n ARG 225 Cb 0.47 0.01 -0.03 0.00 -0.00 0.00 0.00 32.46 32.91 1hqh n ARG 225 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1hqh s PRO 226 N -2.40 3.72 -0.08 2.89 0.02 -1.26 -4.89 135.00 133.00 1hqh s PRO 226 Ca 0.08 0.26 0.02 0.00 0.02 0.00 0.00 61.00 61.37 1hqh s PRO 226 Cb -0.01 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 1hqh s PRO 226 CO 0.05 0.10 -0.12 0.42 -0.33 0.00 0.00 177.00 177.11 1hqh s ILE 227 N -2.20 3.20 -0.26 2.83 1.01 0.63 -1.35 121.20 125.06 1hqh s ILE 227 Ca 0.48 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1hqh s ILE 227 Cb -0.11 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.11 1hqh s ILE 227 CO 0.30 0.57 -0.06 -2.28 0.00 0.00 0.00 174.94 173.47 1hqh s HIS 228 N -0.40 3.14 -0.42 3.97 5.65 0.01 -1.71 115.29 125.52 1hqh s HIS 228 Ca 0.05 -1.79 -0.16 0.00 0.25 0.00 0.00 55.06 53.41 1hqh s HIS 228 Cb -0.12 -2.04 0.03 0.00 -1.18 0.00 0.00 32.58 29.26 1hqh s HIS 228 CO 0.02 -0.78 0.37 -1.17 -0.65 0.00 0.00 174.74 172.53 1hqh s LEU 229 N 1.26 5.06 -0.48 8.88 2.96 -0.02 -1.23 118.68 135.11 1hqh s LEU 229 Ca -0.03 -0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 52.88 1hqh s LEU 229 Cb -0.18 -2.25 0.08 0.00 0.50 0.00 0.00 46.19 44.34 1hqh s LEU 229 CO -0.04 -0.53 0.40 -0.55 -1.32 0.00 0.00 176.35 174.31 1hqh s SER 230 N 1.83 6.11 -0.31 3.68 0.15 -0.59 -0.05 113.70 124.53 1hqh s SER 230 Ca 0.08 -1.40 -0.10 0.00 0.70 0.00 0.00 55.95 55.24 1hqh s SER 230 Cb -0.19 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1hqh s SER 230 CO 0.11 -0.66 0.15 0.12 1.20 0.00 0.00 173.24 174.16 1hqh s PHE 231 N 1.62 3.18 -0.37 3.44 2.19 0.59 -1.59 117.98 127.04 1hqh s PHE 231 Ca 0.04 -0.54 -0.17 0.00 0.33 0.00 0.00 56.93 56.58 1hqh s PHE 231 Cb -0.25 -2.35 0.00 0.00 -1.31 0.00 0.00 43.02 39.11 1hqh s PHE 231 CO 0.06 -0.44 0.44 0.34 1.83 0.00 0.00 175.22 177.45 1hqh s ASP 232 N 1.62 6.23 0.51 6.13 -1.08 0.20 -2.43 116.67 127.85 1hqh s ASP 232 Ca 0.05 -0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.01 1hqh s ASP 232 Cb -0.17 -2.23 1.27 0.00 -1.46 0.00 0.00 42.92 40.32 1hqh s ASP 232 CO 0.06 -0.47 1.68 0.58 0.52 0.00 0.00 175.17 177.54 1hqh h VAL 233 N 5.63 0.00 0.00 1.11 2.07 -1.78 0.97 116.25 124.25 1hqh h VAL 233 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1hqh h VAL 233 Cb 1.13 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1hqh h VAL 233 CO 0.76 0.00 0.00 -2.24 0.02 0.00 0.00 177.57 176.11 1hqh h ASP 234 N 0.00 0.00 0.04 0.57 3.04 -1.86 -3.20 116.42 115.01 1hqh h ASP 234 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1hqh h ASP 234 Cb 0.57 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.86 1hqh h ASP 234 CO 0.00 0.00 -0.02 1.23 -2.04 0.00 0.00 179.24 178.41 1hqh h GLY 235 N 3.11 0.00 -0.97 7.15 0.00 0.71 -3.42 103.07 109.65 1hqh h GLY 235 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1hqh h GLY 235 CO 0.00 0.00 0.30 1.08 0.00 0.00 0.00 176.54 177.92 1hqh s LEU 236 N -8.06 2.74 0.60 3.11 1.43 -1.21 -2.46 118.68 114.83 1hqh s LEU 236 Ca -0.05 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 1hqh s LEU 236 Cb 0.15 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1hqh s LEU 236 CO 0.59 -1.66 1.14 -0.62 0.23 0.00 0.00 176.35 176.03 1hqh s ASP 237 N -4.52 5.36 0.62 2.29 -1.08 0.52 -4.56 116.67 115.31 1hqh s ASP 237 Ca 0.60 2.17 0.30 0.00 -0.52 0.00 0.00 52.55 55.10 1hqh s ASP 237 Cb -0.11 -2.58 1.61 0.00 -1.46 0.00 0.00 42.92 40.39 1hqh s ASP 237 CO 0.47 -1.47 1.97 -0.65 0.52 0.00 0.00 175.17 176.02 1hqh h PRO 238 N 0.71 0.00 -0.18 4.34 0.11 -1.85 -1.39 132.00 133.74 1hqh h PRO 238 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1hqh h PRO 238 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1hqh h PRO 238 CO 0.55 0.00 0.08 0.28 -0.21 0.00 0.00 178.00 178.71 1hqh h VAL 239 N 0.00 1.14 0.02 3.15 2.07 -1.97 -2.24 116.25 118.42 1hqh h VAL 239 Ca 0.10 -0.42 -0.21 0.00 0.82 0.00 0.00 66.70 66.99 1hqh h VAL 239 Cb 0.78 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1hqh h VAL 239 CO -0.00 0.14 -0.97 -0.26 0.02 0.00 0.00 177.57 176.49 1hqh h PHE 240 N 0.16 0.11 -2.01 1.57 0.04 -1.63 -3.39 116.94 111.79 1hqh h PHE 240 Ca 0.06 -0.07 -0.52 0.00 2.80 0.00 0.00 57.97 60.24 1hqh h PHE 240 Cb 0.14 -0.01 -0.40 0.00 2.20 0.00 0.00 35.95 37.89 1hqh h PHE 240 CO -0.02 0.99 -1.15 0.25 -0.60 0.00 0.00 178.31 177.78 1hqh n THR 241 N -3.47 -0.33 -0.01 -1.55 -2.24 -0.99 -4.02 114.28 101.68 1hqh n THR 241 Ca -0.02 -4.36 0.02 0.00 -2.27 0.00 0.00 64.05 57.43 1hqh n THR 241 Cb 0.90 -1.04 0.37 0.00 -2.10 0.00 0.00 70.33 68.45 1hqh n THR 241 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1hqh h PRO 242 N 3.45 0.55 -4.97 -0.78 0.13 -1.60 -3.39 132.00 125.40 1hqh h PRO 242 Ca 0.09 -0.06 -0.61 0.00 -0.87 0.00 0.00 66.00 64.54 1hqh h PRO 242 Cb 0.92 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1hqh h PRO 242 CO 0.49 0.45 2.25 0.00 -0.23 0.00 0.00 178.00 180.96 1hqh n ALA 243 N -2.47 3.70 -2.33 -0.56 0.00 -1.26 -4.85 120.51 112.74 1hqh n ALA 243 Ca 0.03 -3.58 -0.17 0.00 0.00 0.00 0.00 53.44 49.73 1hqh n ALA 243 Cb 0.13 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 15.92 1hqh n ALA 243 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hqh s THR 244 N 5.51 0.00 -0.02 0.00 2.01 -1.26 -2.04 115.64 119.84 1hqh s THR 244 Ca 0.56 -1.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.35 1hqh s THR 244 Cb 0.08 -2.51 -0.19 0.00 0.01 0.00 0.00 72.50 69.89 1hqh s THR 244 CO 0.05 0.00 1.24 1.23 -0.69 0.00 0.00 174.62 176.45 1hqh h GLY 245 N 2.28 -0.07 -7.05 4.40 0.00 -1.90 -3.40 103.07 97.33 1hqh h GLY 245 Ca -0.29 0.02 -0.62 0.00 0.00 0.00 0.00 47.33 46.45 1hqh h GLY 245 CO 0.42 -0.02 -0.67 -1.59 0.00 0.00 0.00 176.54 174.68 1hqh s THR 246 N -4.27 2.23 0.57 4.70 2.01 -1.26 -5.09 115.64 114.54 1hqh s THR 246 Ca -0.15 -3.52 -0.21 0.00 0.31 0.00 0.00 61.69 58.12 1hqh s THR 246 Cb 0.02 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1hqh s THR 246 CO 0.64 -0.96 1.31 -2.16 -0.69 0.00 0.00 174.62 172.76 1hqh s PRO 247 N -0.64 3.02 -0.25 4.92 0.04 -1.26 -4.94 135.00 135.89 1hqh s PRO 247 Ca 0.22 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 1hqh s PRO 247 Cb -0.13 -2.12 0.13 0.00 0.04 0.00 0.00 34.50 32.42 1hqh s PRO 247 CO -0.10 -1.24 0.32 0.08 0.04 0.00 0.00 177.00 176.10 1hqh s VAL 248 N -1.38 -0.48 0.69 -0.36 1.01 -1.26 -5.06 120.40 113.55 1hqh s VAL 248 Ca 0.74 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 1hqh s VAL 248 Cb -0.37 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1hqh s VAL 248 CO 0.43 -0.26 1.22 1.33 0.00 0.00 0.00 175.10 177.82 1hqh n VAL 249 N 5.34 4.01 -2.52 2.92 0.24 -1.26 -4.13 118.33 122.92 1hqh n VAL 249 Ca -0.03 -0.42 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 1hqh n VAL 249 Cb 0.49 -1.36 0.01 0.00 -1.47 0.00 0.00 33.84 31.50 1hqh n VAL 249 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hqh n GLY 250 N 0.88 0.74 2.41 7.63 0.00 -1.26 -5.02 105.19 110.57 1hqh n GLY 250 Ca 0.15 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1hqh n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqh n GLY 251 N -0.70 2.13 3.49 -0.02 0.00 -1.26 -4.94 105.19 103.89 1hqh n GLY 251 Ca -0.00 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1hqh n GLY 251 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqh n LEU 252 N 0.00 0.64 -4.94 0.99 4.77 -1.03 -3.95 117.00 113.49 1hqh n LEU 252 Ca 0.08 0.93 -0.25 0.00 -0.03 0.00 0.00 56.01 56.74 1hqh n LEU 252 Cb 0.38 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.27 1hqh n LEU 252 CO 0.24 -2.57 0.06 -0.94 -1.33 0.00 0.00 177.39 172.85 1hqh s SER 253 N -0.92 6.35 0.39 -1.43 1.04 -1.26 0.20 113.70 118.06 1hqh s SER 253 Ca 0.64 0.36 0.19 0.00 0.48 0.00 0.00 55.95 57.62 1hqh s SER 253 Cb -0.59 -1.99 1.15 0.00 0.10 0.00 0.00 66.02 64.69 1hqh s SER 253 CO 0.57 -0.13 1.72 0.22 0.98 0.00 0.00 173.24 176.60 1hqh h TYR 254 N 1.46 0.71 0.48 5.02 3.20 -1.94 0.77 116.97 126.67 1hqh h TYR 254 Ca -0.49 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 1hqh h TYR 254 Cb 1.21 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1hqh h TYR 254 CO 0.52 -0.04 -0.23 0.00 -1.64 0.00 0.00 178.16 176.77 1hqh h ARG 255 N 0.33 -0.62 -0.45 1.82 3.08 -1.98 -1.87 114.38 114.69 1hqh h ARG 255 Ca 0.67 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.88 1hqh h ARG 255 Cb 1.74 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.91 1hqh h ARG 255 CO -0.39 -0.33 0.32 0.93 -1.07 0.00 0.00 179.97 179.42 1hqh h GLU 256 N -1.05 0.09 -0.61 0.04 5.08 -1.62 0.96 114.58 117.46 1hqh h GLU 256 Ca -0.07 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1hqh h GLU 256 Cb 0.58 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1hqh h GLU 256 CO 0.11 0.06 0.16 0.78 -1.00 0.00 0.00 179.01 179.12 1hqh h GLY 257 N 0.09 1.05 1.75 -3.84 0.00 0.65 -0.80 103.07 101.96 1hqh h GLY 257 Ca 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1hqh h GLY 257 CO -0.02 0.61 -0.23 1.41 0.00 0.00 0.00 176.54 178.30 1hqh h LEU 258 N 0.89 0.00 -0.77 3.11 3.38 0.21 -2.78 115.31 119.36 1hqh h LEU 258 Ca 0.19 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1hqh h LEU 258 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1hqh h LEU 258 CO 0.00 0.01 -0.60 0.22 0.09 0.00 0.00 178.44 178.16 1hqh h TYR 259 N 0.00 0.00 0.15 1.13 3.20 0.16 -2.03 116.97 119.58 1hqh h TYR 259 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1hqh h TYR 259 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1hqh h TYR 259 CO 0.00 0.60 -0.07 0.82 -1.64 0.00 0.00 178.16 177.87 1hqh h ILE 260 N 0.00 0.00 -1.26 1.81 2.04 -1.07 -2.29 117.51 116.74 1hqh h ILE 260 Ca -0.01 -0.53 0.38 0.00 1.00 0.00 0.00 64.86 65.70 1hqh h ILE 260 Cb 1.08 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 1hqh h ILE 260 CO 0.08 0.00 0.84 0.71 0.00 0.00 0.00 178.15 179.78 1hqh h THR 261 N -0.72 0.28 0.17 -0.27 1.35 -1.58 -1.15 112.91 110.98 1hqh h THR 261 Ca -0.02 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 1hqh h THR 261 Cb 0.15 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1hqh h THR 261 CO 0.03 0.03 -0.08 -0.33 -0.25 0.00 0.00 175.52 174.92 1hqh h GLU 262 N 0.16 -0.22 0.00 4.72 5.08 -1.38 -2.22 114.58 120.73 1hqh h GLU 262 Ca 0.72 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 59.04 1hqh h GLU 262 Cb 2.29 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.58 1hqh h GLU 262 CO -0.29 0.07 -0.26 0.93 -1.00 0.00 0.00 179.01 178.46 1hqh h GLU 263 N -0.50 0.00 -0.43 2.33 4.39 -0.63 -2.29 114.58 117.45 1hqh h GLU 263 Ca -0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1hqh h GLU 263 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1hqh h GLU 263 CO 0.04 0.26 -0.30 0.82 -1.16 0.00 0.00 179.01 178.67 1hqh h ILE 264 N 0.00 1.27 -0.70 3.13 2.04 -1.33 -2.90 117.51 119.02 1hqh h ILE 264 Ca -0.00 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 1hqh h ILE 264 Cb 0.55 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1hqh h ILE 264 CO 0.03 0.50 0.32 0.22 0.00 0.00 0.00 178.15 179.23 1hqh h TYR 265 N 0.79 1.02 0.00 1.37 3.20 -1.01 -2.41 116.97 119.93 1hqh h TYR 265 Ca 0.08 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1hqh h TYR 265 Cb 0.88 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1hqh h TYR 265 CO 0.06 0.76 -0.00 0.87 -1.64 0.00 0.00 178.16 178.21 1hqh h LYS 266 N 0.98 0.00 0.00 1.82 1.57 -1.26 -1.63 116.57 118.05 1hqh h LYS 266 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1hqh h LYS 266 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1hqh h LYS 266 CO -0.03 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.10 1hqh n THR 267 N -3.10 0.50 -1.22 -0.16 -2.24 -0.91 -4.89 114.28 102.25 1hqh n THR 267 Ca -0.02 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 1hqh n THR 267 Cb 0.15 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1hqh n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqh n GLY 268 N 1.13 0.79 1.24 3.38 0.00 -0.61 -4.85 105.19 106.27 1hqh n GLY 268 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1hqh n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqh n LEU 269 N -0.87 4.54 -4.73 0.99 4.77 -1.26 -5.00 117.00 115.44 1hqh n LEU 269 Ca -0.08 -3.06 -0.41 0.00 -0.03 0.00 0.00 56.01 52.43 1hqh n LEU 269 Cb 0.50 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1hqh n LEU 269 CO 0.12 0.70 0.84 -0.22 -1.33 0.00 0.00 177.39 177.50 1hqh s LEU 270 N -2.86 4.45 0.00 2.23 2.96 -1.26 -0.27 118.68 123.94 1hqh s LEU 270 Ca 0.47 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1hqh s LEU 270 Cb 0.37 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.46 1hqh s LEU 270 CO 0.10 -0.32 0.00 -0.24 -1.32 0.00 0.00 176.35 174.58 1hqh n SER 271 N 2.70 1.97 -3.76 3.68 2.88 -0.69 -4.84 113.62 115.55 1hqh n SER 271 Ca 0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1hqh n SER 271 Cb 0.46 0.21 -0.11 0.00 -0.75 0.00 0.00 64.21 64.02 1hqh n SER 271 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1hqh s GLY 272 N -1.71 -0.24 0.06 0.46 0.00 -1.12 -1.93 107.32 102.84 1hqh s GLY 272 Ca 0.00 0.91 0.05 0.00 0.00 0.00 0.00 44.72 45.67 1hqh s GLY 272 CO 0.00 0.80 -0.13 -2.27 0.00 0.00 0.00 173.10 171.50 1hqh s LEU 273 N 0.21 2.25 -0.14 0.66 0.20 0.22 -0.84 118.68 121.24 1hqh s LEU 273 Ca -0.00 -0.57 -0.01 0.00 0.69 0.00 0.00 54.13 54.24 1hqh s LEU 273 Cb -0.02 -0.46 0.04 0.00 -0.43 0.00 0.00 46.19 45.31 1hqh s LEU 273 CO 0.00 -0.08 -0.04 -1.81 -0.29 0.00 0.00 176.35 174.13 1hqh s ASP 274 N -1.60 2.54 -0.81 3.68 1.01 0.93 -0.65 116.67 121.77 1hqh s ASP 274 Ca -0.03 -0.52 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 1hqh s ASP 274 Cb -0.10 -0.81 0.20 0.00 1.01 0.00 0.00 42.92 43.22 1hqh s ASP 274 CO 0.02 -0.18 0.68 -0.63 0.21 0.00 0.00 175.17 175.26 1hqh s ILE 275 N 1.71 4.12 0.40 0.77 -1.09 -0.55 -0.30 121.20 126.26 1hqh s ILE 275 Ca 0.02 -3.65 0.08 0.00 -2.23 0.00 0.00 60.65 54.86 1hqh s ILE 275 Cb -0.14 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1hqh s ILE 275 CO -0.08 -1.03 0.45 -0.04 -1.23 0.00 0.00 174.94 173.01 1hqh s MET 276 N -1.02 2.75 0.00 2.79 -1.94 -1.02 -1.54 119.30 119.32 1hqh s MET 276 Ca 0.25 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 1hqh s MET 276 Cb -0.10 -2.59 0.00 0.00 2.01 0.00 0.00 34.83 34.14 1hqh s MET 276 CO -0.10 -0.15 0.00 0.39 -0.01 0.00 0.00 175.02 175.15 1hqh n GLU 277 N -1.65 0.00 -1.88 2.03 -0.58 -0.90 -2.52 120.64 115.14 1hqh n GLU 277 Ca 0.04 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.35 1hqh n GLU 277 Cb 0.60 -3.51 -0.03 0.00 -0.57 0.00 0.00 31.44 27.93 1hqh n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1hqh s VAL 278 N -2.45 3.35 -0.85 2.62 1.01 -1.26 -4.30 120.40 118.53 1hqh s VAL 278 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1hqh s VAL 278 Cb 0.00 -3.38 0.21 0.00 0.00 0.00 0.00 36.38 33.21 1hqh s VAL 278 CO 0.00 -0.18 0.72 0.21 0.00 0.00 0.00 175.10 175.85 1hqh s ASN 279 N 5.62 5.78 0.00 3.32 3.84 -0.87 -4.04 114.94 128.60 1hqh s ASN 279 Ca 0.84 -3.69 0.00 0.00 0.21 0.00 0.00 52.86 50.21 1hqh s ASN 279 Cb -0.30 -1.86 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1hqh s ASN 279 CO 0.34 -0.18 0.14 -2.65 -2.79 0.00 0.00 177.10 171.96 1hqh n PRO 280 N 2.35 0.00 -0.00 0.43 -0.02 -1.26 0.29 135.00 136.78 1hqh n PRO 280 Ca 0.20 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.75 1hqh n PRO 280 Cb 0.37 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 1hqh n PRO 280 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1hqh n THR 281 N -0.64 0.00 -0.38 3.45 -2.24 -1.26 -4.61 114.28 108.60 1hqh n THR 281 Ca 0.00 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1hqh n THR 281 Cb 0.01 0.50 0.11 0.00 -2.10 0.00 0.00 70.33 68.85 1hqh n THR 281 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hqh n LEU 282 N -1.70 5.32 -4.64 3.22 4.77 0.14 -4.91 117.00 119.20 1hqh n LEU 282 Ca -0.01 -2.80 -0.38 0.00 -0.03 0.00 0.00 56.01 52.79 1hqh n LEU 282 Cb 0.28 -0.71 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1hqh n LEU 282 CO 0.26 0.84 -0.04 -0.83 -1.33 0.00 0.00 177.39 176.29 1hqh s GLY 283 N -0.43 1.98 0.43 -0.72 0.00 -1.26 -4.45 107.32 102.87 1hqh s GLY 283 Ca 0.35 -0.81 0.22 0.00 0.00 0.00 0.00 44.72 44.49 1hqh s GLY 283 CO 0.07 0.69 1.65 0.50 0.00 0.00 0.00 173.10 176.01 1hqh h LYS 284 N 7.77 0.00 -2.42 2.90 1.57 -1.93 -3.42 116.57 121.04 1hqh h LYS 284 Ca -0.35 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1hqh h LYS 284 Cb 1.17 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.32 1hqh h LYS 284 CO 0.65 0.00 0.22 0.95 -0.57 0.00 0.00 179.45 180.70 1hqh s THR 285 N -3.64 0.00 0.16 -0.16 -4.23 -1.26 -5.04 115.64 101.47 1hqh s THR 285 Ca -0.02 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1hqh s THR 285 Cb 0.06 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.93 1hqh s THR 285 CO 0.20 0.00 1.58 -0.65 -0.54 0.00 0.00 174.62 175.21 1hqh h PRO 286 N 2.53 -0.27 -0.97 3.99 0.11 -2.01 -1.09 132.00 134.28 1hqh h PRO 286 Ca -0.29 0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.04 1hqh h PRO 286 Cb 1.22 0.06 -0.18 0.00 0.11 0.00 0.00 31.00 32.20 1hqh h PRO 286 CO 0.38 -0.18 -0.20 -1.91 -0.21 0.00 0.00 178.00 175.88 1hqh n GLU 287 N -5.41 -0.09 0.10 1.05 4.07 -1.26 -0.47 120.64 118.63 1hqh n GLU 287 Ca 0.00 1.50 -0.12 0.00 -0.06 0.00 0.00 57.16 58.49 1hqh n GLU 287 Cb 0.35 -2.27 -0.05 0.00 -0.06 0.00 0.00 31.44 29.41 1hqh n GLU 287 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1hqh h GLU 288 N 0.00 -0.41 -0.75 5.31 5.08 -1.57 0.70 114.58 122.94 1hqh h GLU 288 Ca 0.49 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.97 1hqh h GLU 288 Cb 0.79 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1hqh h GLU 288 CO -0.99 -0.27 0.38 0.28 -1.00 0.00 0.00 179.01 177.42 1hqh h VAL 289 N -0.43 0.85 -0.81 3.13 2.07 -0.64 -1.34 116.25 119.08 1hqh h VAL 289 Ca 0.03 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1hqh h VAL 289 Cb 0.46 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1hqh h VAL 289 CO -0.15 0.12 0.38 0.74 0.02 0.00 0.00 177.57 178.67 1hqh h THR 290 N 0.64 1.25 0.74 2.57 2.02 0.17 -0.72 112.91 119.58 1hqh h THR 290 Ca 0.37 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1hqh h THR 290 Cb 0.39 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1hqh h THR 290 CO -0.27 0.31 -0.48 -0.09 0.37 0.00 0.00 175.52 175.35 1hqh h ARG 291 N 1.15 -1.11 -0.01 6.66 2.43 0.11 -1.42 114.38 122.19 1hqh h ARG 291 Ca 0.28 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1hqh h ARG 291 Cb 0.13 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1hqh h ARG 291 CO -0.03 -0.74 -0.01 1.15 -1.51 0.00 0.00 179.97 178.83 1hqh h THR 292 N -1.16 0.00 -0.80 0.20 2.02 -1.00 0.13 112.91 112.31 1hqh h THR 292 Ca -0.10 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.24 1hqh h THR 292 Cb 0.94 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.20 1hqh h THR 292 CO 0.08 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 176.30 1hqh h VAL 293 N -0.00 0.16 0.32 3.16 2.07 -1.14 0.38 116.25 121.20 1hqh h VAL 293 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1hqh h VAL 293 Cb 0.01 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1hqh h VAL 293 CO -0.01 0.00 -0.16 0.78 0.02 0.00 0.00 177.57 178.20 1hqh h ASN 294 N -0.03 -0.39 0.14 0.57 2.35 -0.38 0.33 115.58 118.17 1hqh h ASN 294 Ca 0.36 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 1hqh h ASN 294 Cb 0.59 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1hqh h ASN 294 CO -0.83 -0.27 -0.05 0.71 -1.65 0.00 0.00 177.43 175.34 1hqh h THR 295 N -0.44 0.53 0.09 2.81 1.35 -0.39 0.42 112.91 117.28 1hqh h THR 295 Ca -0.04 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1hqh h THR 295 Cb 0.35 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1hqh h THR 295 CO 0.06 0.04 -0.04 0.00 -0.25 0.00 0.00 175.52 175.33 1hqh h ALA 296 N 1.95 -0.11 0.04 6.62 0.00 -0.15 -1.77 119.26 125.83 1hqh h ALA 296 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1hqh h ALA 296 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1hqh h ALA 296 CO 0.01 -0.29 -0.16 0.28 0.00 0.00 0.00 179.25 179.08 1hqh h VAL 297 N -0.66 0.62 -0.24 0.00 2.07 0.11 -1.82 116.25 116.33 1hqh h VAL 297 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1hqh h VAL 297 Cb 0.53 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1hqh h VAL 297 CO 0.02 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.80 1hqh h ALA 298 N 0.62 2.12 -0.39 1.67 0.00 -0.26 0.22 119.26 123.23 1hqh h ALA 298 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1hqh h ALA 298 Cb 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1hqh h ALA 298 CO -0.13 -0.31 -0.10 -0.07 0.00 0.00 0.00 179.25 178.64 1hqh h LEU 299 N 0.00 0.76 0.41 0.00 3.38 -0.49 -2.11 115.31 117.26 1hqh h LEU 299 Ca 0.11 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1hqh h LEU 299 Cb 0.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1hqh h LEU 299 CO -0.00 0.95 -0.20 0.74 0.09 0.00 0.00 178.44 180.02 1hqh h THR 300 N 0.56 0.00 -0.85 0.22 2.02 -0.47 -2.02 112.91 112.38 1hqh h THR 300 Ca 0.10 -0.03 0.25 0.00 0.77 0.00 0.00 66.41 67.49 1hqh h THR 300 Cb 0.62 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1hqh h THR 300 CO 0.04 0.00 0.84 -0.07 0.37 0.00 0.00 175.52 176.70 1hqh h LEU 301 N -0.58 0.00 0.64 2.58 3.38 -1.46 0.83 115.31 120.70 1hqh h LEU 301 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1hqh h LEU 301 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1hqh h LEU 301 CO 0.09 0.00 -0.31 -1.28 0.09 0.00 0.00 178.44 177.03 1hqh h SER 302 N 0.00 -0.73 -1.29 -0.43 0.87 -0.96 -2.63 113.55 108.38 1hqh h SER 302 Ca 0.40 -0.02 0.38 0.00 -1.23 0.00 0.00 61.79 61.32 1hqh h SER 302 Cb 2.08 0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 64.14 1hqh h SER 302 CO -0.00 -0.38 0.88 0.00 -0.53 0.00 0.00 176.83 176.80 1hqh n PHE 304 N -4.39 3.11 0.00 0.00 3.72 -0.85 -4.39 117.46 114.66 1hqh n PHE 304 Ca 0.31 -2.81 0.00 0.00 -0.05 0.00 0.00 57.45 54.91 1hqh n PHE 304 Cb 1.31 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1hqh n PHE 304 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hqh n GLY 305 N -0.84 2.27 2.47 1.37 0.00 -0.55 -4.70 105.19 105.21 1hqh n GLY 305 Ca 0.58 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 1hqh n GLY 305 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hqh n THR 306 N 0.00 0.00 -4.16 2.61 -1.04 -1.09 -4.95 114.28 105.65 1hqh n THR 306 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1hqh n THR 306 Cb 0.00 -0.35 -0.08 0.00 -1.82 0.00 0.00 70.33 68.08 1hqh n THR 306 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1hqh s LYS 307 N 3.27 2.88 0.03 -2.82 1.02 -1.26 -4.55 119.74 118.32 1hqh s LYS 307 Ca 0.80 -0.60 0.13 0.00 0.02 0.00 0.00 55.97 56.32 1hqh s LYS 307 Cb -1.06 -2.74 0.57 0.00 -0.52 0.00 0.00 37.83 34.07 1hqh s LYS 307 CO 0.52 0.61 1.42 0.54 -0.92 0.00 0.00 175.35 177.52 1hqh n ARG 308 N 1.06 0.02 0.10 1.68 1.74 -1.26 -1.40 116.66 118.60 1hqh n ARG 308 Ca -0.12 0.32 0.02 0.00 -0.77 0.00 0.00 57.85 57.29 1hqh n ARG 308 Cb 0.52 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 1hqh n ARG 308 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1hqh h GLU 309 N 0.00 0.00 0.00 5.56 4.11 -2.00 -3.50 114.58 118.75 1hqh h GLU 309 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1hqh h GLU 309 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1hqh h GLU 309 CO 0.00 0.43 0.00 0.41 0.07 0.00 0.00 179.01 179.92 1hqh n GLY 310 N 1.28 3.26 2.80 1.06 0.00 -0.49 -5.11 105.19 107.99 1hqh n GLY 310 Ca -0.02 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 1hqh n GLY 310 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hqh s ASN 311 N 0.00 0.23 -0.09 1.61 0.01 -1.26 -4.53 114.94 110.91 1hqh s ASN 311 Ca 0.00 0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1hqh s ASN 311 Cb 0.00 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.53 1hqh s ASN 311 CO 0.00 -0.11 -0.16 -1.38 -1.51 0.00 0.00 177.10 173.94 1hqh s HIS 312 N 1.02 1.86 -0.00 2.20 -3.43 -1.26 -5.10 115.29 110.58 1hqh s HIS 312 Ca -0.09 -0.78 -0.30 0.00 -0.80 0.00 0.00 55.06 53.09 1hqh s HIS 312 Cb -0.13 -1.32 -0.07 0.00 -1.43 0.00 0.00 32.58 29.62 1hqh s HIS 312 CO -0.02 -0.38 1.77 0.15 -2.00 0.00 0.00 174.74 174.26 1hqh s LYS 313 N 0.73 4.17 0.98 -0.38 1.02 -1.26 -4.95 119.74 120.05 1hqh s LYS 313 Ca -0.12 2.36 -0.13 0.00 0.02 0.00 0.00 55.97 58.10 1hqh s LYS 313 Cb -0.16 -3.99 0.07 0.00 -0.52 0.00 0.00 37.83 33.22 1hqh s LYS 313 CO 0.03 -0.87 0.44 -2.30 -0.92 0.00 0.00 175.35 171.73 1hqh n PRO 314 N 7.06 -0.57 0.00 -1.68 -0.02 -1.26 -3.45 135.00 135.08 1hqh n PRO 314 Ca 0.18 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1hqh n PRO 314 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1hqh n PRO 314 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1hqh n GLU 315 N -2.11 0.00 -2.56 -0.52 1.02 -1.26 -4.95 120.64 110.26 1hqh n GLU 315 Ca 0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1hqh n GLU 315 Cb 0.55 -0.42 -0.05 0.00 -0.02 0.00 0.00 31.44 31.50 1hqh n GLU 315 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1hqh s THR 316 N 0.00 3.80 -0.52 2.62 2.01 -1.22 -5.00 115.64 117.32 1hqh s THR 316 Ca 0.00 1.70 -0.15 0.00 0.31 0.00 0.00 61.69 63.54 1hqh s THR 316 Cb 0.00 -4.08 0.12 0.00 0.01 0.00 0.00 72.50 68.55 1hqh s THR 316 CO 0.00 0.36 0.47 -0.62 -0.69 0.00 0.00 174.62 174.13 1hqh s ASP 317 N -0.60 6.14 0.33 3.53 2.15 -1.26 -4.91 116.67 122.04 1hqh s ASP 317 Ca 0.46 -1.73 0.26 0.00 0.43 0.00 0.00 52.55 51.97 1hqh s ASP 317 Cb -0.29 -2.19 1.10 0.00 -0.30 0.00 0.00 42.92 41.24 1hqh s ASP 317 CO 0.36 -0.81 1.78 1.88 -0.17 0.00 0.00 175.17 178.21 1hqh h TYR 318 N 8.83 0.00 0.00 -5.34 0.05 -1.95 -3.55 116.97 115.00 1hqh h TYR 318 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 1hqh h TYR 318 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1hqh h TYR 318 CO 0.71 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 179.10