#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qh1 n ASN 2 N 0.00 0.50 0.20 1.09 6.94 -1.26 -4.81 115.26 117.92 1qh1 n ASN 2 Ca 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 54.58 53.11 1qh1 n ASN 2 Cb 0.00 -0.43 0.43 0.00 -2.36 0.00 0.00 39.78 37.42 1qh1 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qh1 h ALA 3 N -1.02 1.40 -0.34 -2.53 0.00 -1.99 -1.61 119.26 113.17 1qh1 h ALA 3 Ca -0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1qh1 h ALA 3 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qh1 h ALA 3 CO 0.18 0.38 -0.10 1.15 0.00 0.00 0.00 179.25 180.87 1qh1 h THR 4 N 0.00 1.28 -0.18 0.00 2.02 -1.91 -1.31 112.91 112.81 1qh1 h THR 4 Ca -0.00 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.03 1qh1 h THR 4 Cb 0.57 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1qh1 h THR 4 CO 0.04 0.38 -0.00 1.23 0.37 0.00 0.00 175.52 177.54 1qh1 h GLY 5 N 0.46 0.17 0.84 2.16 0.00 -1.53 0.90 103.07 106.06 1qh1 h GLY 5 Ca 0.08 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1qh1 h GLY 5 CO 0.04 -0.03 0.14 0.83 0.00 0.00 0.00 176.54 177.51 1qh1 h GLU 6 N 0.06 0.29 -0.84 4.80 5.08 -1.24 0.53 114.58 123.26 1qh1 h GLU 6 Ca 0.08 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1qh1 h GLU 6 Cb 0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1qh1 h GLU 6 CO -0.14 0.19 0.54 0.00 -1.00 0.00 0.00 179.01 178.60 1qh1 h ARG 7 N 0.30 1.11 -0.24 2.33 3.08 -0.90 -1.88 114.38 118.17 1qh1 h ARG 7 Ca 0.13 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1qh1 h ARG 7 Cb 0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1qh1 h ARG 7 CO -0.10 0.75 -0.25 -0.91 -1.07 0.00 0.00 179.97 178.39 1qh1 h ASN 8 N 1.14 0.47 -0.34 7.04 2.35 -0.54 -1.33 115.58 124.37 1qh1 h ASN 8 Ca 0.31 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1qh1 h ASN 8 Cb -0.11 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1qh1 h ASN 8 CO -0.06 0.72 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.28 1qh1 h LEU 9 N 0.41 0.74 -0.63 1.61 3.38 -0.34 -1.39 115.31 119.09 1qh1 h LEU 9 Ca 0.06 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1qh1 h LEU 9 Cb 0.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1qh1 h LEU 9 CO 0.05 0.86 -0.46 0.00 0.09 0.00 0.00 178.44 178.98 1qh1 h ALA 10 N 1.21 0.80 -0.59 1.53 0.00 -1.20 -2.51 119.26 118.51 1qh1 h ALA 10 Ca 0.12 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1qh1 h ALA 10 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1qh1 h ALA 10 CO 0.03 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.27 1qh1 h LEU 11 N 0.43 0.95 -0.31 0.00 5.85 -1.10 -0.34 115.31 120.79 1qh1 h LEU 11 Ca 0.03 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1qh1 h LEU 11 Cb 0.98 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1qh1 h LEU 11 CO 0.09 0.98 0.16 0.40 -0.34 0.00 0.00 178.44 179.73 1qh1 h ILE 12 N 0.89 1.00 -0.23 4.05 2.04 -1.05 0.28 117.51 124.48 1qh1 h ILE 12 Ca 0.18 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1qh1 h ILE 12 Cb 0.44 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1qh1 h ILE 12 CO 0.01 0.06 0.12 -0.61 0.00 0.00 0.00 178.15 177.74 1qh1 h GLN 13 N 0.34 0.25 -0.50 2.37 5.75 -1.09 -2.25 115.11 119.98 1qh1 h GLN 13 Ca 0.13 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1qh1 h GLN 13 Cb 0.03 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1qh1 h GLN 13 CO -0.08 0.17 0.25 0.93 -2.65 0.00 0.00 178.83 177.45 1qh1 h GLU 14 N 0.26 0.71 -0.44 1.69 5.08 -0.73 -2.98 114.58 118.18 1qh1 h GLU 14 Ca 0.09 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1qh1 h GLU 14 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1qh1 h GLU 14 CO -0.05 0.58 0.11 0.28 -1.00 0.00 0.00 179.01 178.93 1qh1 h VAL 15 N 0.66 1.23 0.00 3.13 2.07 -0.90 -3.04 116.25 119.40 1qh1 h VAL 15 Ca 0.17 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1qh1 h VAL 15 Cb 0.10 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1qh1 h VAL 15 CO -0.02 0.28 0.00 0.18 0.02 0.00 0.00 177.57 178.03 1qh1 n LEU 16 N -4.53 0.00 0.20 2.57 4.77 -0.85 -3.47 117.00 115.69 1qh1 n LEU 16 Ca 0.00 0.20 0.14 0.00 -0.03 0.00 0.00 56.01 56.33 1qh1 n LEU 16 Cb 0.21 -0.20 0.67 0.00 -2.33 0.00 0.00 43.42 41.77 1qh1 n LEU 16 CO 0.39 -0.03 0.92 -0.33 -1.33 0.00 0.00 177.39 177.01 1qh1 h GLU 17 N 0.00 0.00 0.00 3.23 4.39 -1.40 -2.36 114.58 118.44 1qh1 h GLU 17 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1qh1 h GLU 17 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1qh1 h GLU 17 CO 0.00 0.00 -0.52 -0.24 -1.16 0.00 0.00 179.01 177.09 1qh1 h VAL 18 N 0.00 1.20 -3.65 3.13 3.04 -1.79 -3.45 116.25 114.74 1qh1 h VAL 18 Ca 0.00 -1.88 -0.51 0.00 -1.01 0.00 0.00 66.70 63.30 1qh1 h VAL 18 Cb 0.21 2.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1qh1 h VAL 18 CO 0.00 0.51 0.43 -0.36 -1.01 0.00 0.00 177.57 177.13 1qh1 s PHE 19 N -3.59 3.72 0.20 3.17 0.40 -0.89 -4.99 117.98 116.00 1qh1 s PHE 19 Ca -0.01 1.73 -0.31 0.00 -0.60 0.00 0.00 56.93 57.74 1qh1 s PHE 19 Cb 0.12 -3.17 -0.16 0.00 0.51 0.00 0.00 43.02 40.32 1qh1 s PHE 19 CO 0.73 -0.20 0.96 -2.30 0.70 0.00 0.00 175.22 175.11 1qh1 n PRO 20 N 2.01 0.84 -0.35 0.24 -0.02 -1.26 -4.43 135.00 132.04 1qh1 n PRO 20 Ca 0.01 0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.87 1qh1 n PRO 20 Cb 0.47 -1.64 0.18 0.00 -0.02 0.00 0.00 33.50 32.48 1qh1 n PRO 20 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1qh1 n GLU 21 N 1.27 -0.08 -0.15 -0.52 0.00 -1.26 -1.00 120.64 118.89 1qh1 n GLU 21 Ca 0.15 1.50 -0.10 0.00 0.00 0.00 0.00 57.16 58.70 1qh1 n GLU 21 Cb 0.25 -2.28 -0.01 0.00 0.00 0.00 0.00 31.44 29.41 1qh1 n GLU 21 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1qh1 h THR 22 N 0.00 1.27 -0.31 6.31 1.35 -2.00 -2.41 112.91 117.11 1qh1 h THR 22 Ca 0.50 -1.12 -0.06 0.00 -0.55 0.00 0.00 66.41 65.19 1qh1 h THR 22 Cb 0.84 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1qh1 h THR 22 CO -0.98 0.38 -0.05 0.00 -0.25 0.00 0.00 175.52 174.63 1qh1 h ALA 23 N 0.89 1.35 -0.28 6.62 0.00 -1.40 -1.97 119.26 124.47 1qh1 h ALA 23 Ca 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qh1 h ALA 23 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1qh1 h ALA 23 CO 0.03 0.45 0.14 -0.09 0.00 0.00 0.00 179.25 179.78 1qh1 h ARG 24 N 0.46 0.29 -0.59 0.00 9.65 -1.16 0.44 114.38 123.48 1qh1 h ARG 24 Ca 0.10 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1qh1 h ARG 24 Cb 0.38 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1qh1 h ARG 24 CO 0.02 0.19 0.04 0.87 2.80 0.00 0.00 179.97 183.89 1qh1 h LYS 25 N 0.30 1.02 -0.02 0.20 6.56 -1.27 -1.88 116.57 121.46 1qh1 h LYS 25 Ca 0.11 -0.30 -0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1qh1 h LYS 25 Cb 0.03 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1qh1 h LYS 25 CO -0.07 0.99 0.00 1.49 -2.06 0.00 0.00 179.45 179.80 1qh1 h GLU 26 N 0.91 0.04 0.00 3.15 4.22 -1.08 -2.95 114.58 118.88 1qh1 h GLU 26 Ca 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.60 1qh1 h GLU 26 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1qh1 h GLU 26 CO 0.02 0.28 0.00 0.00 -2.18 0.00 0.00 179.01 177.13 1qh1 h ARG 27 N -0.21 0.00 0.00 1.92 2.47 -0.01 -2.67 114.38 115.88 1qh1 h ARG 27 Ca 0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1qh1 h ARG 27 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1qh1 h ARG 27 CO 0.00 0.00 -0.10 -0.09 0.56 0.00 0.00 179.97 180.34 1qh1 h ARG 28 N 0.00 0.00 -0.00 0.04 9.65 -1.15 -1.26 114.38 121.66 1qh1 h ARG 28 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1qh1 h ARG 28 Cb 0.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1qh1 h ARG 28 CO 0.00 0.10 -0.03 1.63 2.80 0.00 0.00 179.97 184.47 1qh1 n LYS 29 N -3.21 0.79 -0.55 0.20 4.01 -1.01 -3.37 118.16 115.02 1qh1 n LYS 29 Ca 0.01 -0.14 0.09 0.00 -0.51 0.00 0.00 58.31 57.75 1qh1 n LYS 29 Cb 0.39 -1.50 0.32 0.00 -0.51 0.00 0.00 35.03 33.72 1qh1 n LYS 29 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1qh1 n HIS 30 N -0.99 1.29 -3.78 2.13 8.25 -0.47 -0.92 115.22 120.73 1qh1 n HIS 30 Ca 0.18 -0.65 -0.13 0.00 -0.26 0.00 0.00 57.72 56.86 1qh1 n HIS 30 Cb 0.22 -0.25 -0.09 0.00 1.12 0.00 0.00 29.99 30.99 1qh1 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qh1 s MET 31 N -1.98 0.60 0.29 -0.41 0.00 -1.22 -0.57 119.30 116.01 1qh1 s MET 31 Ca 0.46 -0.16 -0.16 0.00 0.00 0.00 0.00 55.69 55.83 1qh1 s MET 31 Cb 0.31 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.42 1qh1 s MET 31 CO 0.20 -0.16 0.63 0.00 0.00 0.00 0.00 175.02 175.69 1qh1 s MET 32 N -1.17 1.78 -0.07 3.16 0.23 -0.41 -4.87 119.30 117.94 1qh1 s MET 32 Ca -0.12 -1.19 0.03 0.00 -1.03 0.00 0.00 55.69 53.37 1qh1 s MET 32 Cb -0.05 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.78 1qh1 s MET 32 CO 0.03 -0.79 -0.15 0.14 -2.03 0.00 0.00 175.02 172.22 1qh1 s VAL 33 N -3.68 2.94 0.55 5.16 -7.23 -1.26 -1.10 120.40 115.79 1qh1 s VAL 33 Ca 0.17 -0.75 -0.18 0.00 -1.81 0.00 0.00 61.98 59.41 1qh1 s VAL 33 Cb -0.04 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 1qh1 s VAL 33 CO 0.09 0.57 1.05 -0.94 -0.31 0.00 0.00 175.10 175.57 1qh1 s SER 34 N -0.42 6.02 -0.15 4.85 1.04 -0.45 -4.84 113.70 119.75 1qh1 s SER 34 Ca 0.05 1.88 -0.02 0.00 0.48 0.00 0.00 55.95 58.34 1qh1 s SER 34 Cb -0.12 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.50 1qh1 s SER 34 CO 0.02 -1.01 0.00 -0.62 0.98 0.00 0.00 173.24 172.62 1qh1 s ASP 35 N -2.40 2.47 0.56 7.02 -1.08 -1.26 -0.65 116.67 121.33 1qh1 s ASP 35 Ca 0.66 -0.55 0.38 0.00 -0.52 0.00 0.00 52.55 52.51 1qh1 s ASP 35 Cb -0.17 -0.62 1.96 0.00 -1.46 0.00 0.00 42.92 42.63 1qh1 s ASP 35 CO 0.29 -0.24 2.14 1.55 0.52 0.00 0.00 175.17 179.43 1qh1 h PRO 36 N 8.24 0.00 -0.09 4.34 0.13 -1.91 -1.60 132.00 141.13 1qh1 h PRO 36 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1qh1 h PRO 36 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qh1 h PRO 36 CO 0.33 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.73 1qh1 n LYS 37 N -2.87 1.37 -3.78 0.86 4.01 -1.26 -4.84 118.16 111.64 1qh1 n LYS 37 Ca -0.02 -0.55 -0.36 0.00 -0.51 0.00 0.00 58.31 56.87 1qh1 n LYS 37 Cb 0.11 -1.33 -0.07 0.00 -0.51 0.00 0.00 35.03 33.22 1qh1 n LYS 37 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1qh1 s MET 38 N -1.89 3.96 -0.10 1.97 1.00 -0.60 -4.96 119.30 118.67 1qh1 s MET 38 Ca 0.29 -0.20 0.14 0.00 0.00 0.00 0.00 55.69 55.93 1qh1 s MET 38 Cb 0.15 -3.34 -0.24 0.00 0.00 0.00 0.00 34.83 31.40 1qh1 s MET 38 CO 0.23 0.44 0.43 1.63 0.00 0.00 0.00 175.02 177.76 1qh1 n LYS 39 N 3.06 0.66 -4.15 2.03 4.76 -1.26 -4.83 118.16 118.43 1qh1 n LYS 39 Ca -0.17 0.18 -0.16 0.00 -2.87 0.00 0.00 58.31 55.29 1qh1 n LYS 39 Cb 0.53 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.92 1qh1 n LYS 39 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1qh1 s SER 40 N -5.90 1.43 0.25 4.39 0.01 -1.26 -4.89 113.70 107.72 1qh1 s SER 40 Ca -0.07 -0.68 0.11 0.00 1.31 0.00 0.00 55.95 56.62 1qh1 s SER 40 Cb 0.07 -0.01 0.22 0.00 0.21 0.00 0.00 66.02 66.51 1qh1 s SER 40 CO 0.82 -0.17 1.52 -0.37 0.41 0.00 0.00 173.24 175.45 1qh1 h VAL 41 N 4.06 1.37 0.00 3.43 -1.51 -1.89 -3.48 116.25 118.23 1qh1 h VAL 41 Ca -0.38 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 1qh1 h VAL 41 Cb 1.19 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 32.69 1qh1 h VAL 41 CO 0.45 0.66 0.00 0.61 -1.23 0.00 0.00 177.57 178.06 1qh1 n GLY 42 N 0.65 4.14 0.53 5.19 0.00 -1.26 -0.98 105.19 113.46 1qh1 n GLY 42 Ca -0.00 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1qh1 n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qh1 n LYS 43 N 14.00 1.49 0.22 1.61 2.85 -1.26 -4.41 118.16 132.66 1qh1 n LYS 43 Ca 0.00 -1.06 0.06 0.00 -1.05 0.00 0.00 58.31 56.26 1qh1 n LYS 43 Cb 0.00 -1.48 0.51 0.00 -0.65 0.00 0.00 35.03 33.41 1qh1 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qh1 s ILE 45 N -4.38 0.15 0.15 0.00 2.07 -1.26 -4.58 121.20 113.35 1qh1 s ILE 45 Ca -0.03 -1.28 0.07 0.00 -1.41 0.00 0.00 60.65 58.00 1qh1 s ILE 45 Cb 0.15 -1.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 1qh1 s ILE 45 CO 0.68 -0.70 -0.16 0.27 -1.91 0.00 0.00 174.94 173.12 1qh1 s ILE 46 N -3.55 1.57 0.34 2.00 -4.36 -0.10 -4.88 121.20 112.22 1qh1 s ILE 46 Ca 0.03 -1.86 -0.16 0.00 -0.26 0.00 0.00 60.65 58.39 1qh1 s ILE 46 Cb 0.04 -1.72 0.04 0.00 1.25 0.00 0.00 42.46 42.06 1qh1 s ILE 46 CO -0.09 -0.40 0.72 -0.94 0.24 0.00 0.00 174.94 174.47 1qh1 s SER 47 N -2.65 -0.03 -1.38 4.36 1.04 -1.26 -4.47 113.70 109.32 1qh1 s SER 47 Ca 0.13 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.51 1qh1 s SER 47 Cb -0.05 0.78 0.01 0.00 0.10 0.00 0.00 66.02 66.86 1qh1 s SER 47 CO 0.05 -1.51 1.13 -3.20 0.98 0.00 0.00 173.24 170.69 1qh1 n ASN 48 N -1.01 -6.39 -4.87 7.02 4.05 -1.23 -4.82 115.26 108.01 1qh1 n ASN 48 Ca -0.06 -0.52 -0.21 0.00 0.45 0.00 0.00 54.58 54.25 1qh1 n ASN 48 Cb 0.60 -5.03 -0.03 0.00 1.23 0.00 0.00 39.78 36.54 1qh1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1qh1 s ARG 49 N -6.26 2.83 0.52 1.20 1.81 -1.26 -5.01 118.95 112.78 1qh1 s ARG 49 Ca 0.56 -1.21 -0.22 0.00 -1.72 0.00 0.00 55.73 53.15 1qh1 s ARG 49 Cb -0.25 -2.55 -0.07 0.00 -0.45 0.00 0.00 34.95 31.63 1qh1 s ARG 49 CO 0.70 0.13 1.19 1.63 -0.68 0.00 0.00 175.30 178.27 1qh1 n LYS 50 N -1.40 1.49 -2.39 3.54 4.01 -1.26 -4.93 118.16 117.23 1qh1 n LYS 50 Ca -0.02 0.55 -0.33 0.00 -0.51 0.00 0.00 58.31 57.99 1qh1 n LYS 50 Cb 0.59 -2.36 -0.02 0.00 -0.51 0.00 0.00 35.03 32.73 1qh1 n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1qh1 s SER 51 N -0.89 6.21 0.06 4.39 1.04 -1.26 -4.99 113.70 118.26 1qh1 s SER 51 Ca 0.69 1.86 -0.31 0.00 0.48 0.00 0.00 55.95 58.68 1qh1 s SER 51 Cb -0.45 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.03 1qh1 s SER 51 CO 0.52 -0.87 1.70 -1.10 0.98 0.00 0.00 173.24 174.46 1qh1 s GLN 52 N -3.55 4.18 0.37 4.02 -1.52 -1.26 -4.97 119.66 116.94 1qh1 s GLN 52 Ca 0.65 2.38 -0.28 0.00 -1.95 0.00 0.00 55.36 56.16 1qh1 s GLN 52 Cb -0.16 -3.67 -0.11 0.00 -0.22 0.00 0.00 33.01 28.85 1qh1 s GLN 52 CO 0.26 -0.78 1.47 -2.14 -0.25 0.00 0.00 175.29 173.86 1qh1 s PRO 53 N 2.91 4.12 0.00 2.91 0.02 -1.26 -3.49 135.00 140.21 1qh1 s PRO 53 Ca 0.76 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.33 1qh1 s PRO 53 Cb -0.40 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1qh1 s PRO 53 CO 0.33 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 1qh1 n GLY 54 N 0.48 0.54 0.46 0.52 0.00 -1.26 -4.91 105.19 101.02 1qh1 n GLY 54 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1qh1 n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qh1 n VAL 55 N -2.46 0.00 -2.53 1.61 0.24 -1.23 -4.97 118.33 108.99 1qh1 n VAL 55 Ca 0.00 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 61.98 1qh1 n VAL 55 Cb 0.07 0.85 0.04 0.00 -1.47 0.00 0.00 33.84 33.33 1qh1 n VAL 55 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1qh1 n MET 56 N -0.05 -1.91 -2.09 7.34 1.56 -1.26 -3.59 117.12 117.13 1qh1 n MET 56 Ca 0.12 0.46 -0.37 0.00 -0.27 0.00 0.00 57.70 57.64 1qh1 n MET 56 Cb 0.42 -3.96 0.01 0.00 2.15 0.00 0.00 33.22 31.85 1qh1 n MET 56 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1qh1 s THR 57 N -3.20 2.74 -0.05 1.12 -1.32 -1.26 -1.85 115.64 111.81 1qh1 s THR 57 Ca 0.17 0.54 0.29 0.00 -1.21 0.00 0.00 61.69 61.49 1qh1 s THR 57 Cb -0.02 -3.27 0.36 0.00 -1.51 0.00 0.00 72.50 68.06 1qh1 s THR 57 CO 0.39 -0.02 1.86 0.58 -2.21 0.00 0.00 174.62 175.22 1qh1 h VAL 58 N 1.62 0.07 -4.03 5.08 2.07 -1.94 -3.48 116.25 115.64 1qh1 h VAL 58 Ca -0.50 -0.74 -0.55 0.00 0.82 0.00 0.00 66.70 65.73 1qh1 h VAL 58 Cb 1.27 1.69 0.17 0.00 -1.52 0.00 0.00 31.29 32.90 1qh1 h VAL 58 CO 0.59 0.03 0.32 0.54 0.02 0.00 0.00 177.57 179.07 1qh1 n ARG 59 N -3.12 0.59 0.00 1.57 1.74 -1.26 -5.06 116.66 111.11 1qh1 n ARG 59 Ca 0.01 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1qh1 n ARG 59 Cb 0.39 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1qh1 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qh1 n GLY 60 N 0.84 2.38 3.56 -0.13 0.00 -1.26 -5.01 105.19 105.57 1qh1 n GLY 60 Ca 0.14 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 1qh1 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qh1 h ALA 62 N 1.79 1.37 -0.08 0.00 0.00 -1.71 -1.46 119.26 119.18 1qh1 h ALA 62 Ca -0.40 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 1qh1 h ALA 62 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qh1 h ALA 62 CO 0.67 0.06 -0.75 -0.92 0.00 0.00 0.00 179.25 178.31 1qh1 h TYR 63 N 0.00 0.58 -0.86 0.00 5.03 -1.68 -1.25 116.97 118.79 1qh1 h TYR 63 Ca -0.00 -0.26 -0.03 0.00 2.58 0.00 0.00 58.73 61.02 1qh1 h TYR 63 Cb 0.14 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.30 1qh1 h TYR 63 CO 0.00 1.03 0.42 0.00 -1.32 0.00 0.00 178.16 178.29 1qh1 h ALA 64 N 0.90 1.13 -0.09 1.82 0.00 -1.62 0.33 119.26 121.74 1qh1 h ALA 64 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1qh1 h ALA 64 Cb 1.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1qh1 h ALA 64 CO 0.13 0.66 -0.56 0.78 0.00 0.00 0.00 179.25 180.26 1qh1 h GLY 65 N 1.22 0.31 0.00 0.00 0.00 -0.94 -0.18 103.07 103.48 1qh1 h GLY 65 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1qh1 h GLY 65 CO -0.04 0.32 -0.24 0.23 0.00 0.00 0.00 176.54 176.81 1qh1 h SER 66 N 0.21 0.00 0.10 0.19 0.87 -0.99 -2.88 113.55 111.06 1qh1 h SER 66 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1qh1 h SER 66 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1qh1 h SER 66 CO 0.09 0.42 -0.05 0.50 -0.53 0.00 0.00 176.83 177.26 1qh1 h LYS 67 N -0.60 -0.14 -0.51 2.24 3.11 -0.50 0.02 116.57 120.19 1qh1 h LYS 67 Ca 0.00 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.81 1qh1 h LYS 67 Cb 0.24 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 1qh1 h LYS 67 CO 0.00 0.37 0.15 0.78 -2.81 0.00 0.00 179.45 177.94 1qh1 h GLY 68 N -0.78 0.81 0.00 5.01 0.00 -0.83 -0.03 103.07 107.25 1qh1 h GLY 68 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1qh1 h GLY 68 CO 0.02 0.41 -0.76 -0.62 0.00 0.00 0.00 176.54 175.60 1qh1 n VAL 69 N -4.30 1.35 -0.05 4.60 0.31 -0.20 -4.68 118.33 115.36 1qh1 n VAL 69 Ca 0.04 0.21 -0.15 0.00 -0.01 0.00 0.00 64.34 64.42 1qh1 n VAL 69 Cb 0.20 -2.15 -0.13 0.00 -0.91 0.00 0.00 33.84 30.84 1qh1 n VAL 69 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1qh1 h VAL 70 N -0.76 1.71 0.11 2.52 2.07 -1.27 -3.41 116.25 117.22 1qh1 h VAL 70 Ca 0.00 -2.37 -0.34 0.00 0.82 0.00 0.00 66.70 64.81 1qh1 h VAL 70 Cb 0.76 3.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 1qh1 h VAL 70 CO 0.00 0.61 -1.84 -0.26 0.02 0.00 0.00 177.57 176.10 1qh1 h PHE 71 N -0.90 0.41 -0.74 1.57 0.04 -1.14 -3.39 116.94 112.79 1qh1 h PHE 71 Ca -0.04 -0.30 0.17 0.00 2.80 0.00 0.00 57.97 60.60 1qh1 h PHE 71 Cb 1.12 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 1qh1 h PHE 71 CO 0.26 1.56 0.50 0.78 -0.60 0.00 0.00 178.31 180.81 1qh1 h GLY 72 N 1.63 0.46 2.00 -1.45 0.00 -1.16 -0.82 103.07 103.73 1qh1 h GLY 72 Ca -0.36 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1qh1 h GLY 72 CO 0.11 0.03 0.00 -2.55 0.00 0.00 0.00 176.54 174.13 1qh1 h PRO 73 N 0.25 0.00 -6.28 4.80 0.11 -1.79 -3.44 132.00 125.65 1qh1 h PRO 73 Ca 0.36 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.91 1qh1 h PRO 73 Cb 1.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1qh1 h PRO 73 CO -0.08 0.00 1.25 0.42 -0.21 0.00 0.00 178.00 179.38 1qh1 s ILE 74 N -3.64 3.53 0.20 4.15 1.01 -0.31 -4.12 121.20 122.03 1qh1 s ILE 74 Ca 0.01 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.28 1qh1 s ILE 74 Cb 0.09 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 1qh1 s ILE 74 CO 0.51 -0.55 1.50 0.07 0.00 0.00 0.00 174.94 176.47 1qh1 h LYS 75 N 12.78 0.00 -0.33 2.79 2.10 -1.27 -3.23 116.57 129.42 1qh1 h LYS 75 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1qh1 h LYS 75 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1qh1 h LYS 75 CO 1.07 0.74 0.00 -0.40 -2.00 0.00 0.00 179.45 178.86 1qh1 n ASP 76 N -3.62 2.21 -4.51 7.07 5.75 -1.26 -1.78 116.55 120.42 1qh1 n ASP 76 Ca -0.01 -1.89 -0.27 0.00 -0.01 0.00 0.00 54.79 52.62 1qh1 n ASP 76 Cb 0.73 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 40.50 1qh1 n ASP 76 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1qh1 s MET 77 N -1.57 1.84 -0.22 0.11 -1.94 -1.22 -0.46 119.30 115.84 1qh1 s MET 77 Ca 0.32 -1.36 -0.09 0.00 -1.71 0.00 0.00 55.69 52.85 1qh1 s MET 77 Cb 0.17 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.92 1qh1 s MET 77 CO 0.24 0.43 0.12 0.00 -0.01 0.00 0.00 175.02 175.79 1qh1 s ALA 78 N -1.65 3.53 -0.27 3.03 0.00 -0.65 -4.56 121.76 121.20 1qh1 s ALA 78 Ca 0.23 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1qh1 s ALA 78 Cb -0.09 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1qh1 s ALA 78 CO 0.13 -0.07 0.14 -1.01 0.00 0.00 0.00 175.76 174.95 1qh1 s HIS 79 N 0.82 3.16 -0.18 0.00 3.76 -1.26 -0.84 115.29 120.74 1qh1 s HIS 79 Ca 0.06 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 1qh1 s HIS 79 Cb -0.13 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 1qh1 s HIS 79 CO 0.02 -0.27 0.32 0.42 -0.85 0.00 0.00 174.74 174.38 1qh1 s ILE 80 N 1.69 5.27 -0.53 0.60 1.01 0.20 -4.27 121.20 125.17 1qh1 s ILE 80 Ca 0.07 0.58 -0.24 0.00 0.00 0.00 0.00 60.65 61.06 1qh1 s ILE 80 Cb -0.16 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.69 1qh1 s ILE 80 CO 0.07 0.33 0.90 -0.44 0.00 0.00 0.00 174.94 175.81 1qh1 s SER 81 N 0.76 6.35 -0.41 3.58 0.01 -0.19 -0.27 113.70 123.52 1qh1 s SER 81 Ca 0.17 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 1qh1 s SER 81 Cb -0.14 -2.42 0.05 0.00 0.21 0.00 0.00 66.02 63.72 1qh1 s SER 81 CO 0.06 -1.16 0.27 -2.28 0.41 0.00 0.00 173.24 170.53 1qh1 s HIS 82 N 3.78 3.28 -5.00 2.43 2.46 -0.37 -2.33 115.29 119.54 1qh1 s HIS 82 Ca 0.30 -1.15 0.00 0.00 0.47 0.00 0.00 55.06 54.68 1qh1 s HIS 82 Cb -0.13 -2.77 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 1qh1 s HIS 82 CO 0.20 -0.75 0.00 0.41 -2.47 0.00 0.00 174.74 172.13 1qh1 n GLY 83 N 5.01 0.13 3.62 1.59 0.00 -1.26 -1.19 105.19 113.09 1qh1 n GLY 83 Ca -0.11 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1qh1 n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qh1 s PRO 84 N -2.00 0.12 0.47 1.61 0.02 -1.26 -1.05 135.00 132.90 1qh1 s PRO 84 Ca 0.00 0.70 0.27 0.00 0.02 0.00 0.00 61.00 61.99 1qh1 s PRO 84 Cb 0.00 -1.69 0.95 0.00 0.02 0.00 0.00 34.50 33.79 1qh1 s PRO 84 CO 0.00 -2.99 1.83 -0.24 -0.33 0.00 0.00 177.00 175.27 1qh1 h VAL 85 N -2.09 0.32 0.33 3.83 3.04 -1.88 -3.39 116.25 116.41 1qh1 h VAL 85 Ca -0.56 -0.97 -0.01 0.00 -1.01 0.00 0.00 66.70 64.15 1qh1 h VAL 85 Cb 1.32 1.75 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1qh1 h VAL 85 CO 0.54 0.14 -0.20 1.23 -1.01 0.00 0.00 177.57 178.27 1qh1 h GLY 86 N 2.37 -0.69 -0.97 3.17 0.00 -2.00 -3.01 103.07 101.94 1qh1 h GLY 86 Ca -0.00 0.28 0.15 0.00 0.00 0.00 0.00 47.33 47.76 1qh1 h GLY 86 CO 0.02 -0.24 -0.39 0.00 0.00 0.00 0.00 176.54 175.93 1qh1 h GLY 88 N 0.00 0.27 0.80 0.00 0.00 -1.82 -2.48 103.07 99.84 1qh1 h GLY 88 Ca 0.33 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1qh1 h GLY 88 CO -0.96 0.23 -0.41 -1.61 0.00 0.00 0.00 176.54 173.79 1qh1 h GLN 89 N 0.20 0.45 -0.09 4.80 5.75 -0.84 -2.59 115.11 122.80 1qh1 h GLN 89 Ca 0.02 -0.35 -0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1qh1 h GLN 89 Cb 0.84 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 1qh1 h GLN 89 CO 0.07 0.98 -0.21 1.88 -2.65 0.00 0.00 178.83 178.90 1qh1 h TYR 90 N 0.03 0.16 -0.42 3.99 0.05 -0.93 -2.20 116.97 117.65 1qh1 h TYR 90 Ca -0.02 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1qh1 h TYR 90 Cb 1.05 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1qh1 h TYR 90 CO 0.12 0.36 0.00 -1.13 -1.05 0.00 0.00 178.16 176.45 1qh1 n SER 91 N -4.23 2.88 -4.59 3.88 3.41 -0.94 -4.71 113.62 109.32 1qh1 n SER 91 Ca -0.01 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 1qh1 n SER 91 Cb 0.31 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1qh1 n SER 91 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1qh1 s ARG 92 N -1.45 3.35 -1.78 4.33 3.52 -0.83 -3.98 118.95 122.10 1qh1 s ARG 92 Ca 0.37 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 1qh1 s ARG 92 Cb 0.20 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1qh1 s ARG 92 CO 0.28 -1.85 0.00 0.00 -0.81 0.00 0.00 175.30 172.92 1qh1 n ALA 93 N 9.92 -0.54 0.07 6.12 0.00 -1.26 -4.87 120.51 129.95 1qh1 n ALA 93 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1qh1 n ALA 93 Cb 0.48 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 1qh1 n ALA 93 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qh1 h GLY 94 N 0.00 0.00 -6.38 0.00 0.00 -1.85 -3.45 103.07 91.40 1qh1 h GLY 94 Ca -0.46 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.26 1qh1 h GLY 94 CO 0.57 0.00 -0.51 -1.60 0.00 0.00 0.00 176.54 174.99 1qh1 s ARG 95 N -2.91 4.11 -0.80 4.80 3.52 -1.26 -5.00 118.95 121.41 1qh1 s ARG 95 Ca -0.00 -0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.27 1qh1 s ARG 95 Cb 0.08 -3.38 -0.06 0.00 -1.56 0.00 0.00 34.95 30.03 1qh1 s ARG 95 CO 0.79 0.25 2.98 0.54 -0.81 0.00 0.00 175.30 179.05 1qh1 n ARG 96 N 3.67 3.10 -2.62 5.12 1.74 -1.26 -4.83 116.66 121.57 1qh1 n ARG 96 Ca -0.16 -2.17 -0.42 0.00 -0.77 0.00 0.00 57.85 54.33 1qh1 n ARG 96 Cb 0.52 -2.37 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 1qh1 n ARG 96 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qh1 s ASN 97 N 1.27 6.69 0.48 0.55 6.03 -1.26 -1.64 114.94 127.05 1qh1 s ASN 97 Ca 0.63 -2.01 -0.23 0.00 -1.03 0.00 0.00 52.86 50.22 1qh1 s ASN 97 Cb 0.27 -2.55 -0.07 0.00 -3.03 0.00 0.00 41.25 35.87 1qh1 s ASN 97 CO -0.09 -1.29 1.30 -0.31 -2.03 0.00 0.00 177.10 174.68 1qh1 s TYR 98 N 4.30 2.60 0.16 1.54 1.51 -0.80 -4.69 117.35 121.96 1qh1 s TYR 98 Ca 0.48 1.42 -0.15 0.00 -1.01 0.00 0.00 57.07 57.81 1qh1 s TYR 98 Cb 0.01 -3.66 0.02 0.00 -0.11 0.00 0.00 41.96 38.22 1qh1 s TYR 98 CO -0.02 -2.31 0.41 1.52 -1.11 0.00 0.00 175.55 174.04 1qh1 s TYR 99 N -1.35 -0.04 0.07 2.71 -0.85 -1.26 -2.45 117.35 114.18 1qh1 s TYR 99 Ca 0.65 -0.30 0.05 0.00 -0.52 0.00 0.00 57.07 56.95 1qh1 s TYR 99 Cb -0.37 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1qh1 s TYR 99 CO 0.45 -0.77 -0.07 0.95 -1.52 0.00 0.00 175.55 174.59 1qh1 s THR 100 N -3.86 3.58 -4.80 -3.49 -4.23 -1.26 -5.06 115.64 96.52 1qh1 s THR 100 Ca 0.08 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1qh1 s THR 100 Cb 0.01 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1qh1 s THR 100 CO -0.06 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1qh1 n GLY 101 N 0.96 -2.09 3.13 3.99 0.00 -1.26 -4.99 105.19 104.93 1qh1 n GLY 101 Ca -0.13 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1qh1 n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qh1 s VAL 102 N -2.53 3.43 0.09 1.61 1.01 -1.26 -4.97 120.40 117.79 1qh1 s VAL 102 Ca 0.00 -2.05 -0.37 0.00 0.00 0.00 0.00 61.98 59.56 1qh1 s VAL 102 Cb 0.00 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.88 1qh1 s VAL 102 CO 0.00 -0.71 1.36 -0.24 0.00 0.00 0.00 175.10 175.50 1qh1 n SER 103 N 4.60 1.74 0.00 3.32 2.88 -1.26 -1.51 113.62 123.39 1qh1 n SER 103 Ca -0.03 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1qh1 n SER 103 Cb 0.41 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1qh1 n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qh1 n GLY 104 N 2.58 1.65 0.99 0.46 0.00 0.02 -4.82 105.19 106.08 1qh1 n GLY 104 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 1qh1 n GLY 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qh1 n VAL 105 N -2.00 0.85 0.02 1.61 0.31 -0.57 -4.90 118.33 113.65 1qh1 n VAL 105 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1qh1 n VAL 105 Cb 0.00 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1qh1 n VAL 105 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1qh1 n ASP 106 N -3.20 0.64 -3.79 4.52 5.75 -0.77 -4.34 116.55 115.35 1qh1 n ASP 106 Ca -0.00 -0.82 -0.13 0.00 -0.01 0.00 0.00 54.79 53.83 1qh1 n ASP 106 Cb 0.01 0.39 -0.11 0.00 -1.03 0.00 0.00 41.12 40.38 1qh1 n ASP 106 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qh1 s SER 107 N -0.42 -0.24 -0.01 -1.12 1.04 -1.14 -4.43 113.70 107.37 1qh1 s SER 107 Ca 0.00 0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.90 1qh1 s SER 107 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1qh1 s SER 107 CO 0.01 -0.12 0.83 0.49 0.98 0.00 0.00 173.24 175.43 1qh1 n PHE 108 N 2.79 0.00 0.37 5.02 3.72 -0.73 -0.80 117.46 127.82 1qh1 n PHE 108 Ca -0.14 -0.32 0.14 0.00 -0.05 0.00 0.00 57.45 57.09 1qh1 n PHE 108 Cb 0.58 -0.04 0.46 0.00 -0.94 0.00 0.00 39.48 39.54 1qh1 n PHE 108 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1qh1 h GLY 109 N 0.00 0.00 -1.83 1.37 0.00 -1.86 -2.07 103.07 98.68 1qh1 h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qh1 h GLY 109 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1qh1 n THR 110 N -2.70 0.05 -3.07 4.70 -2.24 -1.26 -4.66 114.28 105.10 1qh1 n THR 110 Ca 0.03 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 1qh1 n THR 110 Cb 0.36 1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 69.89 1qh1 n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qh1 s LEU 111 N -1.95 4.17 -0.41 3.22 1.02 -0.78 -4.78 118.68 119.16 1qh1 s LEU 111 Ca 0.30 1.41 -0.07 0.00 0.02 0.00 0.00 54.13 55.79 1qh1 s LEU 111 Cb 0.20 -3.95 0.09 0.00 0.02 0.00 0.00 46.19 42.56 1qh1 s LEU 111 CO 0.30 -0.13 0.23 0.21 0.02 0.00 0.00 176.35 176.98 1qh1 s ASN 112 N -2.00 5.46 -0.13 2.29 2.47 -1.26 -4.99 114.94 116.78 1qh1 s ASN 112 Ca 0.51 -1.67 -0.19 0.00 0.42 0.00 0.00 52.86 51.93 1qh1 s ASN 112 Cb -0.13 -1.92 -0.04 0.00 -1.45 0.00 0.00 41.25 37.71 1qh1 s ASN 112 CO 0.19 -0.53 0.50 -0.36 -3.72 0.00 0.00 177.10 173.18 1qh1 s PHE 113 N 1.32 3.48 0.04 0.43 0.08 -1.26 -5.04 117.98 117.03 1qh1 s PHE 113 Ca 0.04 0.89 -0.08 0.00 0.12 0.00 0.00 56.93 57.90 1qh1 s PHE 113 Cb -0.23 -2.60 -0.00 0.00 -0.57 0.00 0.00 43.02 39.62 1qh1 s PHE 113 CO -0.00 0.10 0.15 -0.08 -0.10 0.00 0.00 175.22 175.29 1qh1 s THR 114 N 0.88 0.12 -2.50 0.64 -1.32 -1.26 -1.02 115.64 111.18 1qh1 s THR 114 Ca 0.26 -1.00 0.23 0.00 -1.21 0.00 0.00 61.69 59.98 1qh1 s THR 114 Cb -0.15 -0.93 0.41 0.00 -1.51 0.00 0.00 72.50 70.32 1qh1 s THR 114 CO 0.11 -0.55 1.47 -1.54 -2.21 0.00 0.00 174.62 171.90 1qh1 n SER 115 N 0.68 2.50 -4.00 8.08 3.41 -0.98 -4.96 113.62 118.35 1qh1 n SER 115 Ca -0.19 -1.83 -0.40 0.00 -0.26 0.00 0.00 58.87 56.19 1qh1 n SER 115 Cb 0.59 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1qh1 n SER 115 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qh1 n ASP 116 N 0.89 -4.24 -4.72 4.04 2.03 -0.99 -4.77 116.55 108.79 1qh1 n ASP 116 Ca 0.17 -1.20 -0.41 0.00 0.52 0.00 0.00 54.79 53.87 1qh1 n ASP 116 Cb 0.48 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1qh1 n ASP 116 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1qh1 n PHE 117 N -4.28 2.38 -4.73 -0.67 3.01 -0.22 -4.84 117.46 108.11 1qh1 n PHE 117 Ca -0.18 0.50 -0.32 0.00 1.01 0.00 0.00 57.45 58.47 1qh1 n PHE 117 Cb 0.60 -2.42 -0.08 0.00 -0.01 0.00 0.00 39.48 37.56 1qh1 n PHE 117 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1qh1 s GLN 118 N -2.09 2.15 0.43 -1.08 -1.52 -1.26 -4.55 119.66 111.73 1qh1 s GLN 118 Ca 0.58 -2.34 0.09 0.00 -1.95 0.00 0.00 55.36 51.73 1qh1 s GLN 118 Cb -0.52 -1.53 0.94 0.00 -0.22 0.00 0.00 33.01 31.68 1qh1 s GLN 118 CO 0.61 -0.31 2.06 1.49 -0.25 0.00 0.00 175.29 178.89 1qh1 h GLU 119 N 1.44 0.39 0.00 2.91 4.81 -2.01 -1.24 114.58 120.88 1qh1 h GLU 119 Ca -0.44 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1qh1 h GLU 119 Cb 1.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1qh1 h GLU 119 CO 0.75 0.29 -0.21 0.07 -0.73 0.00 0.00 179.01 179.18 1qh1 h ARG 120 N 0.40 0.00 -0.21 1.92 0.11 -1.98 -0.90 114.38 113.72 1qh1 h ARG 120 Ca 0.11 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.03 1qh1 h ARG 120 Cb -0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1qh1 h ARG 120 CO -0.02 0.21 -0.50 -0.44 0.10 0.00 0.00 179.97 179.32 1qh1 h ASP 121 N 0.00 0.63 -0.32 0.08 3.32 -1.50 -0.68 116.42 117.95 1qh1 h ASP 121 Ca -0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1qh1 h ASP 121 Cb 0.37 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1qh1 h ASP 121 CO 0.03 1.02 0.05 0.40 -1.72 0.00 0.00 179.24 179.01 1qh1 h ILE 122 N 0.45 1.24 -0.23 0.35 1.08 -1.23 0.14 117.51 119.31 1qh1 h ILE 122 Ca 0.02 -0.83 -0.11 0.00 -0.39 0.00 0.00 64.86 63.56 1qh1 h ILE 122 Cb 1.03 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1qh1 h ILE 122 CO 0.10 0.27 -0.27 0.58 -0.69 0.00 0.00 178.15 178.13 1qh1 h VAL 123 N 0.35 1.32 -0.01 1.67 2.07 -1.12 -3.32 116.25 117.21 1qh1 h VAL 123 Ca 0.10 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1qh1 h VAL 123 Cb 0.35 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1qh1 h VAL 123 CO 0.01 0.45 -0.27 0.49 0.02 0.00 0.00 177.57 178.27 1qh1 n PHE 124 N -4.34 0.00 0.00 1.57 3.72 -0.27 -5.09 117.46 113.05 1qh1 n PHE 124 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1qh1 n PHE 124 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1qh1 n PHE 124 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qh1 n GLY 125 N 1.14 0.43 1.23 1.37 0.00 0.47 -4.89 105.19 104.94 1qh1 n GLY 125 Ca 0.08 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1qh1 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh1 n GLY 126 N 0.76 2.90 0.24 -0.02 0.00 -1.20 -4.67 105.19 103.19 1qh1 n GLY 126 Ca 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 1qh1 n GLY 126 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qh1 h ASP 127 N 3.31 0.57 0.08 1.61 3.32 -1.93 -0.35 116.42 123.04 1qh1 h ASP 127 Ca 0.00 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1qh1 h ASP 127 Cb 1.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1qh1 h ASP 127 CO 0.14 0.84 -0.58 0.11 -1.72 0.00 0.00 179.24 178.04 1qh1 h LYS 128 N 0.48 0.51 -0.38 3.56 1.57 -1.95 -1.49 116.57 118.86 1qh1 h LYS 128 Ca 0.06 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1qh1 h LYS 128 Cb 0.77 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1qh1 h LYS 128 CO 0.06 0.94 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.53 1qh1 h LYS 129 N 0.38 0.68 -0.58 3.15 3.64 -1.78 -1.94 116.57 120.13 1qh1 h LYS 129 Ca 0.00 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1qh1 h LYS 129 Cb 1.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1qh1 h LYS 129 CO 0.11 0.80 0.11 1.25 -2.27 0.00 0.00 179.45 179.44 1qh1 h LEU 130 N 0.62 0.90 -0.39 5.20 5.85 -0.80 0.19 115.31 126.88 1qh1 h LEU 130 Ca 0.10 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1qh1 h LEU 130 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1qh1 h LEU 130 CO 0.04 0.93 0.21 -1.28 -0.34 0.00 0.00 178.44 177.99 1qh1 h SER 131 N 0.85 0.50 0.02 1.25 0.87 -1.04 -1.42 113.55 114.57 1qh1 h SER 131 Ca 0.18 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1qh1 h SER 131 Cb 0.40 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1qh1 h SER 131 CO 0.01 0.45 -0.28 0.50 -0.53 0.00 0.00 176.83 176.98 1qh1 h LYS 132 N 0.50 0.40 -0.43 2.24 1.63 -1.02 -2.58 116.57 117.31 1qh1 h LYS 132 Ca 0.14 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1qh1 h LYS 132 Cb 0.07 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1qh1 h LYS 132 CO -0.02 0.65 0.28 1.25 -3.45 0.00 0.00 179.45 178.16 1qh1 h LEU 133 N 0.35 0.49 -1.09 5.20 6.46 -0.27 -1.31 115.31 125.15 1qh1 h LEU 133 Ca 0.05 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1qh1 h LEU 133 Cb 0.68 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1qh1 h LEU 133 CO 0.05 0.36 0.15 0.40 -0.62 0.00 0.00 178.44 178.78 1qh1 h ILE 134 N 0.58 1.22 -0.48 4.05 2.04 -1.07 0.56 117.51 124.40 1qh1 h ILE 134 Ca 0.16 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1qh1 h ILE 134 Cb -0.07 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1qh1 h ILE 134 CO -0.03 0.28 0.27 -0.33 0.00 0.00 0.00 178.15 178.34 1qh1 h GLU 135 N 0.78 0.66 -0.22 2.37 5.08 -1.04 -1.70 114.58 120.52 1qh1 h GLU 135 Ca 0.18 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1qh1 h GLU 135 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1qh1 h GLU 135 CO -0.01 0.51 -0.24 0.93 -1.00 0.00 0.00 179.01 179.21 1qh1 h GLU 136 N 0.63 0.41 -0.01 2.33 5.08 -0.84 -1.97 114.58 120.21 1qh1 h GLU 136 Ca 0.17 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1qh1 h GLU 136 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1qh1 h GLU 136 CO -0.03 0.63 -0.05 1.98 -1.00 0.00 0.00 179.01 180.54 1qh1 h MET 137 N 0.37 -0.09 -0.73 2.33 4.05 -0.70 -0.64 114.93 119.52 1qh1 h MET 137 Ca 0.06 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1qh1 h MET 137 Cb 0.62 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.41 1qh1 h MET 137 CO 0.04 -0.06 0.44 1.49 0.23 0.00 0.00 176.91 179.05 1qh1 h GLU 138 N -0.09 0.99 -0.51 0.39 4.57 -1.02 0.46 114.58 119.37 1qh1 h GLU 138 Ca 0.02 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1qh1 h GLU 138 Cb 0.12 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1qh1 h GLU 138 CO -0.06 0.70 0.09 1.25 -1.18 0.00 0.00 179.01 179.81 1qh1 h LEU 139 N 1.01 0.74 0.00 1.64 5.85 -1.03 -3.24 115.31 120.29 1qh1 h LEU 139 Ca 0.26 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1qh1 h LEU 139 Cb -0.04 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1qh1 h LEU 139 CO -0.05 0.75 -1.41 0.18 -0.34 0.00 0.00 178.44 177.57 1qh1 n LEU 140 N -4.26 0.45 -3.24 2.25 4.77 -0.28 -4.53 117.00 112.17 1qh1 n LEU 140 Ca 0.03 0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 1qh1 n LEU 140 Cb 0.24 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1qh1 n LEU 140 CO 0.40 -0.03 -0.16 0.49 -1.33 0.00 0.00 177.39 176.76 1qh1 n PHE 141 N -2.28 1.06 0.26 -1.77 3.72 0.16 -4.98 117.46 113.62 1qh1 n PHE 141 Ca -0.01 -3.78 0.15 0.00 -0.05 0.00 0.00 57.45 53.76 1qh1 n PHE 141 Cb 0.52 -0.42 0.65 0.00 -0.94 0.00 0.00 39.48 39.29 1qh1 n PHE 141 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1qh1 h PRO 142 N 3.87 0.00 -0.51 -1.08 0.13 -1.75 -3.16 132.00 129.49 1qh1 h PRO 142 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1qh1 h PRO 142 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1qh1 h PRO 142 CO 0.59 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.72 1qh1 n LEU 143 N -3.25 2.55 -4.74 1.56 4.77 -1.26 -4.89 117.00 111.74 1qh1 n LEU 143 Ca -0.00 -1.28 -0.39 0.00 -0.03 0.00 0.00 56.01 54.31 1qh1 n LEU 143 Cb 0.32 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1qh1 n LEU 143 CO 0.29 0.51 0.98 0.35 -1.33 0.00 0.00 177.39 178.19 1qh1 n THR 144 N 0.58 3.63 0.06 -5.08 -2.24 -1.20 -4.89 114.28 105.14 1qh1 n THR 144 Ca 0.14 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.48 1qh1 n THR 144 Cb 0.46 -1.68 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 1qh1 n THR 144 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qh1 n LYS 145 N -0.84 0.62 -3.65 -0.78 4.76 0.39 -5.03 118.16 113.62 1qh1 n LYS 145 Ca 0.10 0.12 -0.02 0.00 -2.87 0.00 0.00 58.31 55.64 1qh1 n LYS 145 Cb 0.44 -1.78 -0.01 0.00 -1.84 0.00 0.00 35.03 31.84 1qh1 n LYS 145 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1qh1 s GLY 146 N -4.58 -0.34 -0.01 0.72 0.00 -1.25 -4.28 107.32 97.58 1qh1 s GLY 146 Ca -0.03 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.34 1qh1 s GLY 146 CO 0.81 0.15 -0.09 -0.42 0.00 0.00 0.00 173.10 173.55 1qh1 s ILE 147 N -2.85 0.74 0.13 0.90 1.01 -0.28 -1.63 121.20 119.22 1qh1 s ILE 147 Ca 0.12 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1qh1 s ILE 147 Cb 0.01 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1qh1 s ILE 147 CO -0.02 0.21 -0.20 0.42 0.00 0.00 0.00 174.94 175.35 1qh1 s THR 148 N -0.22 2.71 -0.30 2.92 -4.23 -0.02 -0.32 115.64 116.19 1qh1 s THR 148 Ca 0.04 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1qh1 s THR 148 Cb -0.04 -2.25 0.07 0.00 1.34 0.00 0.00 72.50 71.62 1qh1 s THR 148 CO -0.00 0.07 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.48 1qh1 s ILE 149 N -1.20 2.52 -0.51 2.99 1.01 0.25 -0.62 121.20 125.63 1qh1 s ILE 149 Ca 0.18 -1.71 -0.17 0.00 0.00 0.00 0.00 60.65 58.95 1qh1 s ILE 149 Cb -0.10 -2.55 0.08 0.00 0.01 0.00 0.00 42.46 39.90 1qh1 s ILE 149 CO 0.10 -0.19 0.53 -1.10 0.00 0.00 0.00 174.94 174.27 1qh1 s GLN 150 N 1.12 3.04 0.11 2.79 -1.52 0.62 -0.74 119.66 125.08 1qh1 s GLN 150 Ca -0.03 -1.23 -0.31 0.00 -1.95 0.00 0.00 55.36 51.84 1qh1 s GLN 150 Cb -0.20 -4.16 -0.08 0.00 -0.22 0.00 0.00 33.01 28.35 1qh1 s GLN 150 CO -0.04 -1.20 1.38 -1.12 -0.25 0.00 0.00 175.29 174.06 1qh1 s SER 151 N 2.88 6.83 0.67 5.90 0.01 -0.62 -1.24 113.70 128.14 1qh1 s SER 151 Ca 0.09 2.32 -0.04 0.00 1.31 0.00 0.00 55.95 59.63 1qh1 s SER 151 Cb -0.23 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.48 1qh1 s SER 151 CO 0.08 -0.64 0.94 -1.61 0.41 0.00 0.00 173.24 172.42 1qh1 s GLU 152 N 1.08 2.17 0.20 12.44 2.02 -0.33 -2.79 118.70 133.48 1qh1 s GLU 152 Ca 0.64 -0.56 -0.22 0.00 0.02 0.00 0.00 54.97 54.85 1qh1 s GLU 152 Cb -0.37 -2.28 0.12 0.00 0.10 0.00 0.00 34.13 31.70 1qh1 s GLU 152 CO 0.30 -1.14 1.56 0.00 0.02 0.00 0.00 175.26 176.00 1qh1 h PRO 154 N -0.08 0.00 -0.09 0.00 0.11 -1.95 -3.34 132.00 126.64 1qh1 h PRO 154 Ca 0.26 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.40 1qh1 h PRO 154 Cb 0.55 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1qh1 h PRO 154 CO -0.87 0.06 -0.10 0.28 -0.21 0.00 0.00 178.00 177.16 1qh1 h VAL 155 N 0.00 0.73 -0.01 3.15 2.07 -1.71 -2.22 116.25 118.25 1qh1 h VAL 155 Ca -0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1qh1 h VAL 155 Cb 0.12 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1qh1 h VAL 155 CO 0.01 0.00 -0.81 1.23 0.02 0.00 0.00 177.57 178.02 1qh1 h GLY 156 N -0.12 0.20 2.00 2.17 0.00 -1.79 -2.74 103.07 102.79 1qh1 h GLY 156 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1qh1 h GLY 156 CO -0.17 0.29 -0.06 1.41 0.00 0.00 0.00 176.54 178.01 1qh1 h LEU 157 N 0.11 0.00 -2.16 3.11 3.38 -1.58 -1.95 115.31 116.22 1qh1 h LEU 157 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qh1 h LEU 157 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1qh1 h LEU 157 CO 0.12 0.06 0.00 2.30 0.09 0.00 0.00 178.44 181.01 1qh1 n ILE 158 N -4.32 0.38 -0.92 1.22 -5.35 -0.87 -4.95 119.36 104.54 1qh1 n ILE 158 Ca -0.03 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1qh1 n ILE 158 Cb 0.14 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1qh1 n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qh1 n GLY 159 N 1.46 0.45 3.74 3.28 0.00 -0.73 -4.90 105.19 108.48 1qh1 n GLY 159 Ca 0.18 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1qh1 n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qh1 s ASP 160 N -2.76 4.52 -0.62 1.61 1.01 -1.04 -5.00 116.67 114.40 1qh1 s ASP 160 Ca 0.00 2.14 0.05 0.00 0.71 0.00 0.00 52.55 55.45 1qh1 s ASP 160 Cb 0.00 -2.57 0.16 0.00 1.01 0.00 0.00 42.92 41.53 1qh1 s ASP 160 CO 0.00 -2.03 0.43 -0.62 0.21 0.00 0.00 175.17 173.16 1qh1 s ASP 161 N -2.43 4.12 0.12 0.27 -1.08 -1.26 -4.78 116.67 111.63 1qh1 s ASP 161 Ca 0.69 -3.58 0.22 0.00 -0.52 0.00 0.00 52.55 49.36 1qh1 s ASP 161 Cb -0.24 -1.39 0.87 0.00 -1.46 0.00 0.00 42.92 40.70 1qh1 s ASP 161 CO 0.45 -0.12 1.67 2.30 0.52 0.00 0.00 175.17 179.99 1qh1 n ILE 162 N 2.30 0.73 0.05 4.11 -5.35 -1.26 -2.57 119.36 117.37 1qh1 n ILE 162 Ca 0.20 0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.67 1qh1 n ILE 162 Cb 0.37 -0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 37.31 1qh1 n ILE 162 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1qh1 h SER 163 N 0.00 0.58 -0.25 7.28 0.02 -1.95 0.52 113.55 119.75 1qh1 h SER 163 Ca 0.00 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1qh1 h SER 163 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1qh1 h SER 163 CO 0.00 1.22 0.12 0.00 -1.14 0.00 0.00 176.83 177.03 1qh1 h ALA 164 N 0.75 0.32 -0.35 3.77 0.00 -1.93 -1.11 119.26 120.72 1qh1 h ALA 164 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1qh1 h ALA 164 Cb 1.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1qh1 h ALA 164 CO 0.16 -0.11 0.22 0.28 0.00 0.00 0.00 179.25 179.80 1qh1 h VAL 165 N 0.27 1.07 -0.97 0.00 2.07 -1.33 -2.28 116.25 115.08 1qh1 h VAL 165 Ca 0.09 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1qh1 h VAL 165 Cb 0.13 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1qh1 h VAL 165 CO -0.01 0.08 0.64 0.00 0.02 0.00 0.00 177.57 178.30 1qh1 h ALA 166 N 1.14 1.34 -0.58 1.67 0.00 -0.55 0.98 119.26 123.25 1qh1 h ALA 166 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1qh1 h ALA 166 Cb -0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1qh1 h ALA 166 CO -0.04 0.59 0.18 -0.91 0.00 0.00 0.00 179.25 179.07 1qh1 h ASN 167 N 1.27 0.85 -0.20 0.00 -0.26 -1.07 0.43 115.58 116.60 1qh1 h ASN 167 Ca 0.37 -0.21 -0.12 0.00 -0.56 0.00 0.00 56.30 55.78 1qh1 h ASN 167 Cb -0.08 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 36.96 1qh1 h ASN 167 CO -0.10 0.83 -0.36 0.00 -1.06 0.00 0.00 177.43 176.74 1qh1 h ALA 168 N 1.05 0.32 -0.24 -0.83 0.00 -0.88 -2.57 119.26 116.11 1qh1 h ALA 168 Ca 0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1qh1 h ALA 168 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qh1 h ALA 168 CO -0.01 0.38 -0.33 0.77 0.00 0.00 0.00 179.25 180.07 1qh1 h SER 169 N 0.28 0.51 -0.54 0.00 0.02 -0.74 -0.06 113.55 113.01 1qh1 h SER 169 Ca 0.01 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1qh1 h SER 169 Cb 0.95 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1qh1 h SER 169 CO 0.08 0.81 0.07 -1.28 -1.14 0.00 0.00 176.83 175.37 1qh1 h SER 170 N 0.42 0.91 -0.55 3.07 0.87 -0.81 0.15 113.55 117.62 1qh1 h SER 170 Ca 0.05 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1qh1 h SER 170 Cb 0.78 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1qh1 h SER 170 CO 0.06 0.93 -0.09 0.11 -0.53 0.00 0.00 176.83 177.31 1qh1 h LYS 171 N 0.89 1.02 -0.44 2.24 6.56 -1.20 0.59 116.57 126.24 1qh1 h LYS 171 Ca 0.18 -0.37 -0.06 0.00 -1.06 0.00 0.00 60.65 59.34 1qh1 h LYS 171 Cb 0.42 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 1qh1 h LYS 171 CO 0.01 1.06 0.04 0.00 -2.06 0.00 0.00 179.45 178.50 1qh1 h ALA 172 N 0.93 0.58 0.00 3.86 0.00 -0.52 -2.94 119.26 121.18 1qh1 h ALA 172 Ca 0.14 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1qh1 h ALA 172 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1qh1 h ALA 172 CO 0.05 0.33 -1.03 -0.07 0.00 0.00 0.00 179.25 178.52 1qh1 h LEU 173 N 0.59 0.00 -0.99 0.00 3.38 -0.73 -3.49 115.31 114.07 1qh1 h LEU 173 Ca 0.13 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.81 1qh1 h LEU 173 Cb 0.42 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.28 1qh1 h LEU 173 CO 0.01 0.60 -0.52 -0.67 0.09 0.00 0.00 178.44 177.96 1qh1 n ASP 174 N -3.07 -4.91 -3.99 -0.43 -0.08 0.21 -5.01 116.55 99.27 1qh1 n ASP 174 Ca -0.04 -0.41 -0.08 0.00 -1.51 0.00 0.00 54.79 52.74 1qh1 n ASP 174 Cb 0.82 -3.91 -0.09 0.00 2.34 0.00 0.00 41.12 40.28 1qh1 n ASP 174 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1qh1 s LYS 175 N -5.87 0.64 0.16 -0.67 1.02 -1.16 -5.06 119.74 108.80 1qh1 s LYS 175 Ca 0.39 -1.00 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1qh1 s LYS 175 Cb -0.17 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 37.28 1qh1 s LYS 175 CO 0.55 -0.15 1.51 -2.14 -0.92 0.00 0.00 175.35 174.19 1qh1 s PRO 176 N -3.42 4.25 -0.21 -1.68 0.02 -1.26 -4.45 135.00 128.25 1qh1 s PRO 176 Ca 0.02 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1qh1 s PRO 176 Cb 0.04 -3.17 0.05 0.00 0.02 0.00 0.00 34.50 31.44 1qh1 s PRO 176 CO -0.08 -0.54 -0.05 0.08 -0.33 0.00 0.00 177.00 176.07 1qh1 s VAL 177 N 1.01 1.36 -0.27 3.83 1.01 -1.26 -1.13 120.40 124.95 1qh1 s VAL 177 Ca 0.68 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1qh1 s VAL 177 Cb -0.42 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1qh1 s VAL 177 CO 0.32 -0.04 -0.01 -0.63 0.00 0.00 0.00 175.10 174.75 1qh1 s ILE 178 N 1.49 3.18 -0.00 2.22 1.01 0.57 -4.65 121.20 125.02 1qh1 s ILE 178 Ca -0.04 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.31 1qh1 s ILE 178 Cb -0.18 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1qh1 s ILE 178 CO -0.07 0.10 0.95 -2.16 0.00 0.00 0.00 174.94 173.77 1qh1 s PRO 179 N 1.36 4.55 -0.14 2.79 0.04 -1.26 -0.58 135.00 141.75 1qh1 s PRO 179 Ca -0.00 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1qh1 s PRO 179 Cb -0.17 -3.46 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1qh1 s PRO 179 CO -0.02 -0.03 -0.15 0.08 0.04 0.00 0.00 177.00 176.91 1qh1 s VAL 180 N 0.97 1.61 -1.23 -0.36 1.01 0.08 -4.92 120.40 117.57 1qh1 s VAL 180 Ca 0.51 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1qh1 s VAL 180 Cb -0.21 -1.50 0.20 0.00 0.00 0.00 0.00 36.38 34.88 1qh1 s VAL 180 CO 0.27 0.47 1.85 0.54 0.00 0.00 0.00 175.10 178.23 1qh1 n ARG 181 N 4.61 4.03 -1.92 2.72 1.74 -1.26 -1.58 116.66 124.99 1qh1 n ARG 181 Ca -0.18 -3.81 -0.31 0.00 -0.77 0.00 0.00 57.85 52.78 1qh1 n ARG 181 Cb 0.50 -2.77 0.04 0.00 -1.02 0.00 0.00 32.46 29.21 1qh1 n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qh1 n GLU 183 N -0.67 2.50 0.32 0.00 4.71 -1.12 -2.14 120.64 124.24 1qh1 n GLU 183 Ca 0.50 0.88 0.21 0.00 -0.01 0.00 0.00 57.16 58.74 1qh1 n GLU 183 Cb 0.65 -2.61 1.07 0.00 -1.01 0.00 0.00 31.44 29.55 1qh1 n GLU 183 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1qh1 h GLY 184 N 3.98 0.00 2.00 0.62 0.00 -1.86 -1.51 103.07 106.29 1qh1 h GLY 184 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1qh1 h GLY 184 CO 0.73 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.24 1qh1 n PHE 185 N -3.19 0.03 -2.75 5.60 1.16 -1.26 -4.25 117.46 112.81 1qh1 n PHE 185 Ca -0.02 0.01 -0.37 0.00 -1.87 0.00 0.00 57.45 55.20 1qh1 n PHE 185 Cb 0.12 -0.52 -0.06 0.00 -1.61 0.00 0.00 39.48 37.41 1qh1 n PHE 185 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1qh1 s ARG 186 N -3.01 4.51 3.11 3.97 0.52 -0.57 -4.84 118.95 122.63 1qh1 s ARG 186 Ca 0.09 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 1qh1 s ARG 186 Cb 0.12 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1qh1 s ARG 186 CO 0.34 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.27 1qh1 n GLY 187 N 0.45 0.23 0.00 -3.53 0.00 -1.26 -4.32 105.19 96.76 1qh1 n GLY 187 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1qh1 n GLY 187 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qh1 n VAL 188 N 0.00 0.00 -3.78 1.61 0.24 -1.26 -5.01 118.33 110.13 1qh1 n VAL 188 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1qh1 n VAL 188 Cb 0.00 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 1qh1 n VAL 188 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1qh1 n SER 189 N -0.16 -0.22 0.08 -1.34 3.41 -1.26 -4.50 113.62 109.63 1qh1 n SER 189 Ca 0.00 -1.07 0.10 0.00 -0.26 0.00 0.00 58.87 57.64 1qh1 n SER 189 Cb 0.09 0.35 0.57 0.00 -0.26 0.00 0.00 64.21 64.96 1qh1 n SER 189 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1qh1 h GLN 190 N 0.00 0.21 -0.48 4.33 7.50 -1.66 -3.05 115.11 121.96 1qh1 h GLN 190 Ca -0.04 -0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.20 1qh1 h GLN 190 Cb 0.20 -0.05 -0.09 0.00 0.05 0.00 0.00 27.48 27.59 1qh1 h GLN 190 CO 0.05 0.14 -0.12 1.03 -1.50 0.00 0.00 178.83 178.43 1qh1 h SER 191 N 0.21 -0.44 0.36 1.46 0.87 -1.87 -1.53 113.55 112.62 1qh1 h SER 191 Ca 0.14 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1qh1 h SER 191 Cb 0.29 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1qh1 h SER 191 CO -0.02 -0.16 -0.11 0.25 -0.53 0.00 0.00 176.83 176.25 1qh1 h LEU 192 N 0.00 0.00 -0.57 2.23 5.85 -1.91 -0.94 115.31 119.97 1qh1 h LEU 192 Ca 0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1qh1 h LEU 192 Cb 0.35 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1qh1 h LEU 192 CO -0.49 0.11 0.33 1.23 -0.34 0.00 0.00 178.44 179.28 1qh1 h GLY 193 N 0.84 0.85 0.54 3.75 0.00 -1.41 0.12 103.07 107.76 1qh1 h GLY 193 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.01 1qh1 h GLY 193 CO 0.01 0.36 -0.05 0.45 0.00 0.00 0.00 176.54 177.31 1qh1 h HIS 194 N 0.78 -0.11 -0.12 5.60 3.86 -1.00 -0.53 115.15 123.63 1qh1 h HIS 194 Ca 0.20 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1qh1 h HIS 194 Cb 0.01 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1qh1 h HIS 194 CO -0.02 -0.09 0.04 1.25 0.86 0.00 0.00 177.93 179.97 1qh1 h HIS 195 N 0.01 0.18 -0.47 2.45 6.17 -0.99 0.10 115.15 122.60 1qh1 h HIS 195 Ca 0.11 -0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.27 1qh1 h HIS 195 Cb 0.17 -0.05 -0.09 0.00 2.52 0.00 0.00 27.41 29.95 1qh1 h HIS 195 CO -0.24 0.29 -0.14 0.82 0.71 0.00 0.00 177.93 179.38 1qh1 h ILE 196 N 0.02 0.49 -0.71 6.26 2.04 -0.80 -0.98 117.51 123.83 1qh1 h ILE 196 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1qh1 h ILE 196 Cb 0.19 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1qh1 h ILE 196 CO -0.00 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.56 1qh1 h ALA 197 N 1.41 0.91 -0.58 1.87 0.00 -0.51 -1.45 119.26 120.91 1qh1 h ALA 197 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qh1 h ALA 197 Cb 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1qh1 h ALA 197 CO -0.50 0.40 0.38 -0.91 0.00 0.00 0.00 179.25 178.62 1qh1 h ASN 198 N 0.97 0.67 -0.94 0.00 -0.26 -0.47 -0.70 115.58 114.85 1qh1 h ASN 198 Ca 0.25 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 1qh1 h ASN 198 Cb 0.01 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.05 1qh1 h ASN 198 CO -0.04 0.49 0.57 0.44 -1.06 0.00 0.00 177.43 177.82 1qh1 h ASP 199 N 0.79 1.13 -0.46 5.81 5.19 -0.83 -0.31 116.42 127.74 1qh1 h ASP 199 Ca 0.21 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1qh1 h ASP 199 Cb -0.08 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.12 1qh1 h ASP 199 CO -0.04 0.87 0.15 0.58 -3.12 0.00 0.00 179.24 177.68 1qh1 h VAL 200 N 1.30 1.22 -0.58 -1.35 2.07 -0.99 -2.21 116.25 115.71 1qh1 h VAL 200 Ca 0.34 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1qh1 h VAL 200 Cb -0.05 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1qh1 h VAL 200 CO -0.06 0.26 0.36 0.58 0.02 0.00 0.00 177.57 178.72 1qh1 h VAL 201 N 0.60 1.08 -0.62 2.57 2.07 -0.64 0.11 116.25 121.42 1qh1 h VAL 201 Ca 0.15 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1qh1 h VAL 201 Cb 0.25 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1qh1 h VAL 201 CO -0.01 0.13 0.17 -0.09 0.02 0.00 0.00 177.57 177.80 1qh1 h ARG 202 N 0.71 0.31 0.05 1.57 2.43 -0.74 -0.75 114.38 117.95 1qh1 h ARG 202 Ca 0.23 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.06 1qh1 h ARG 202 Cb 0.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1qh1 h ARG 202 CO -0.09 0.20 -1.79 -0.44 -1.51 0.00 0.00 179.97 176.34 1qh1 h ASP 203 N 0.32 0.16 0.00 -3.80 3.32 -0.97 -3.37 116.42 112.07 1qh1 h ASP 203 Ca 0.33 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1qh1 h ASP 203 Cb 0.47 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1qh1 h ASP 203 CO -0.38 1.31 -1.12 0.79 -1.72 0.00 0.00 179.24 178.11 1qh1 n TRP 204 N -3.21 0.00 -0.00 4.55 7.02 0.36 -4.78 117.44 121.37 1qh1 n TRP 204 Ca -0.22 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.26 1qh1 n TRP 204 Cb 1.05 -0.15 -0.00 0.00 -2.42 0.00 0.00 31.31 29.79 1qh1 n TRP 204 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1qh1 n ILE 205 N -1.64 0.02 0.25 -0.99 5.41 -0.57 -4.85 119.36 116.99 1qh1 n ILE 205 Ca 0.00 -0.01 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1qh1 n ILE 205 Cb 0.30 -1.38 0.67 0.00 -0.71 0.00 0.00 39.64 38.53 1qh1 n ILE 205 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1qh1 h LEU 206 N -0.01 0.00 -1.25 1.39 5.85 -1.34 -1.84 115.31 118.11 1qh1 h LEU 206 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1qh1 h LEU 206 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1qh1 h LEU 206 CO -0.00 0.13 0.00 0.59 -0.34 0.00 0.00 178.44 178.81 1qh1 n ASN 207 N -3.90 1.86 0.23 1.25 3.02 -1.26 -4.54 115.26 111.92 1qh1 n ASN 207 Ca -0.02 -1.80 0.08 0.00 -0.03 0.00 0.00 54.58 52.81 1qh1 n ASN 207 Cb 0.22 -0.15 0.54 0.00 -0.61 0.00 0.00 39.78 39.77 1qh1 n ASN 207 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1qh1 h ASN 208 N 2.33 0.00 -0.12 6.41 2.35 -1.66 -2.61 115.58 122.29 1qh1 h ASN 208 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1qh1 h ASN 208 Cb 0.52 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 1qh1 h ASN 208 CO 0.00 0.23 -0.19 0.54 -1.65 0.00 0.00 177.43 176.36 1qh1 n ARG 209 N -3.74 1.74 -1.82 0.81 1.74 -1.26 -5.05 116.66 109.07 1qh1 n ARG 209 Ca -0.01 -3.01 -0.42 0.00 -0.77 0.00 0.00 57.85 53.64 1qh1 n ARG 209 Cb 0.34 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 1qh1 n ARG 209 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1qh1 s GLU 210 N -3.08 4.15 0.00 5.56 2.12 -0.99 -1.98 118.70 124.48 1qh1 s GLU 210 Ca 0.38 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.23 1qh1 s GLU 210 Cb 0.35 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1qh1 s GLU 210 CO -0.00 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 1qh1 n GLY 211 N 2.48 1.18 3.92 -1.50 0.00 -1.26 -5.02 105.19 104.98 1qh1 n GLY 211 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1qh1 n GLY 211 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qh1 s GLN 212 N -0.29 3.57 0.49 1.61 0.00 -0.84 -5.04 119.66 119.16 1qh1 s GLN 212 Ca 0.00 -0.16 -0.22 0.00 -0.00 0.00 0.00 55.36 54.99 1qh1 s GLN 212 Cb 0.00 -2.69 -0.07 0.00 0.00 0.00 0.00 33.01 30.25 1qh1 s GLN 212 CO 0.00 0.24 1.16 -2.14 0.00 0.00 0.00 175.29 174.54 1qh1 s PRO 213 N -3.69 3.59 -0.28 9.60 0.02 -1.26 -5.03 135.00 137.95 1qh1 s PRO 213 Ca 0.42 1.73 -0.14 0.00 0.02 0.00 0.00 61.00 63.02 1qh1 s PRO 213 Cb -0.10 -2.26 0.09 0.00 0.02 0.00 0.00 34.50 32.25 1qh1 s PRO 213 CO 0.31 -0.68 0.66 0.12 -0.33 0.00 0.00 177.00 177.08 1qh1 s PHE 214 N -1.62 -1.11 -0.24 6.54 5.36 -1.26 -5.12 117.98 120.54 1qh1 s PHE 214 Ca 0.67 2.13 -0.29 0.00 -0.96 0.00 0.00 56.93 58.48 1qh1 s PHE 214 Cb -0.27 0.65 -0.00 0.00 -0.34 0.00 0.00 43.02 43.06 1qh1 s PHE 214 CO 0.32 -0.55 1.24 -1.83 -1.46 0.00 0.00 175.22 172.94 1qh1 s GLU 215 N 1.95 4.10 0.33 10.12 -1.05 -1.26 -5.02 118.70 127.87 1qh1 s GLU 215 Ca -0.09 1.43 0.07 0.00 -0.15 0.00 0.00 54.97 56.23 1qh1 s GLU 215 Cb -0.07 -3.80 -0.02 0.00 -0.44 0.00 0.00 34.13 29.80 1qh1 s GLU 215 CO -0.19 -0.88 0.36 0.95 0.95 0.00 0.00 175.26 176.45 1qh1 s THR 216 N 3.83 3.77 0.38 1.83 -4.23 -1.26 -5.15 115.64 114.80 1qh1 s THR 216 Ca 0.54 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1qh1 s THR 216 Cb -0.18 -3.28 -0.07 0.00 1.34 0.00 0.00 72.50 70.31 1qh1 s THR 216 CO 0.17 -0.17 0.04 0.42 -0.54 0.00 0.00 174.62 174.54 1qh1 s THR 217 N -2.25 1.52 -0.92 3.99 -4.23 -1.26 -5.03 115.64 107.46 1qh1 s THR 217 Ca 0.42 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.15 1qh1 s THR 217 Cb -0.07 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.12 1qh1 s THR 217 CO 0.28 0.00 1.69 -2.65 -0.54 0.00 0.00 174.62 173.40 1qh1 n PRO 218 N -0.85 0.05 -0.56 3.99 -0.02 -1.26 -3.16 135.00 133.19 1qh1 n PRO 218 Ca -0.04 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.65 1qh1 n PRO 218 Cb 0.67 -1.57 0.20 0.00 -0.02 0.00 0.00 33.50 32.78 1qh1 n PRO 218 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qh1 n TYR 219 N -1.65 0.42 -2.65 6.00 4.01 -1.26 -4.94 117.16 117.08 1qh1 n TYR 219 Ca 0.05 -1.40 -0.42 0.00 -0.16 0.00 0.00 57.90 55.97 1qh1 n TYR 219 Cb 0.26 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1qh1 n TYR 219 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qh1 s ASP 220 N -2.85 7.30 0.15 7.72 1.01 -1.19 -1.53 116.67 127.27 1qh1 s ASP 220 Ca 0.39 1.71 0.01 0.00 0.71 0.00 0.00 52.55 55.37 1qh1 s ASP 220 Cb 0.36 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1qh1 s ASP 220 CO -0.02 -0.33 -0.01 0.68 0.21 0.00 0.00 175.17 175.71 1qh1 s VAL 221 N 1.18 0.58 -0.01 -1.27 -7.23 -0.04 -0.93 120.40 112.68 1qh1 s VAL 221 Ca 0.53 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1qh1 s VAL 221 Cb -0.22 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 1qh1 s VAL 221 CO 0.27 -0.58 -0.25 0.00 -0.31 0.00 0.00 175.10 174.23 1qh1 s ALA 222 N -3.72 2.10 -0.42 1.32 0.00 -0.98 -0.65 121.76 119.41 1qh1 s ALA 222 Ca 0.21 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 1qh1 s ALA 222 Cb 0.06 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1qh1 s ALA 222 CO 0.01 0.51 0.88 0.42 0.00 0.00 0.00 175.76 177.59 1qh1 s ILE 223 N -0.63 4.57 -0.35 0.00 1.01 0.07 -1.15 121.20 124.71 1qh1 s ILE 223 Ca 0.10 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 1qh1 s ILE 223 Cb -0.10 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.05 1qh1 s ILE 223 CO -0.00 -0.68 0.16 -0.63 0.00 0.00 0.00 174.94 173.79 1qh1 s ILE 224 N 3.51 4.29 0.00 2.92 -1.09 0.12 -0.43 121.20 130.52 1qh1 s ILE 224 Ca 0.35 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1qh1 s ILE 224 Cb -0.11 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1qh1 s ILE 224 CO 0.22 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1qh1 n GLY 225 N 4.93 1.01 2.86 6.18 0.00 0.76 -1.11 105.19 119.81 1qh1 n GLY 225 Ca -0.12 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1qh1 n GLY 225 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qh1 s ASP 226 N -2.23 2.41 -0.19 1.61 -1.08 -0.60 -1.53 116.67 115.07 1qh1 s ASP 226 Ca 0.00 -0.46 0.15 0.00 -0.52 0.00 0.00 52.55 51.72 1qh1 s ASP 226 Cb 0.00 -0.77 0.77 0.00 -1.46 0.00 0.00 42.92 41.46 1qh1 s ASP 226 CO 0.00 -0.18 1.68 -1.22 0.52 0.00 0.00 175.17 175.97 1qh1 n TYR 227 N 4.96 1.83 -3.63 -5.34 4.01 -1.26 -1.66 117.16 116.08 1qh1 n TYR 227 Ca -0.11 -0.66 -0.22 0.00 -0.16 0.00 0.00 57.90 56.74 1qh1 n TYR 227 Cb 0.49 -0.41 0.06 0.00 -0.31 0.00 0.00 39.34 39.17 1qh1 n TYR 227 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qh1 n ASN 228 N 0.81 -3.72 -4.66 7.72 5.15 -1.26 -4.13 115.26 115.16 1qh1 n ASN 228 Ca 0.27 -0.66 -0.42 0.00 -0.60 0.00 0.00 54.58 53.16 1qh1 n ASN 228 Cb 1.07 -4.66 -0.03 0.00 -0.53 0.00 0.00 39.78 35.64 1qh1 n ASN 228 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qh1 s ILE 229 N -3.40 3.79 -1.77 -1.44 -1.09 -1.26 -1.39 121.20 114.64 1qh1 s ILE 229 Ca 0.30 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1qh1 s ILE 229 Cb -0.14 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1qh1 s ILE 229 CO 0.76 -0.08 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1qh1 n GLY 230 N 3.95 0.75 1.93 6.18 0.00 -0.65 -2.05 105.19 115.29 1qh1 n GLY 230 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qh1 n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh1 n GLY 231 N -0.61 0.44 0.35 -0.02 0.00 -0.49 -2.55 105.19 102.31 1qh1 n GLY 231 Ca -0.20 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1qh1 n GLY 231 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qh1 h ASP 232 N 0.00 1.02 0.59 1.61 3.32 -1.52 -2.02 116.42 119.42 1qh1 h ASP 232 Ca 0.00 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 1qh1 h ASP 232 Cb 0.98 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1qh1 h ASP 232 CO 0.00 0.82 -0.90 0.00 -1.72 0.00 0.00 179.24 177.44 1qh1 h ALA 233 N 1.35 0.49 -0.77 3.45 0.00 -1.87 -2.58 119.26 119.33 1qh1 h ALA 233 Ca 0.29 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1qh1 h ALA 233 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1qh1 h ALA 233 CO -0.05 0.93 0.40 -1.49 0.00 0.00 0.00 179.25 179.04 1qh1 h TRP 234 N 0.11 1.08 0.00 0.00 6.55 -1.81 0.32 115.95 122.19 1qh1 h TRP 234 Ca -0.05 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.76 1qh1 h TRP 234 Cb 1.54 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 1qh1 h TRP 234 CO 0.03 0.76 0.00 0.00 -1.05 0.00 0.00 178.44 178.18 1qh1 n ALA 235 N -2.43 1.79 -0.14 1.49 0.00 -0.81 -2.09 120.51 118.33 1qh1 n ALA 235 Ca 0.08 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1qh1 n ALA 235 Cb 0.12 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 1qh1 n ALA 235 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qh1 n SER 236 N -1.65 1.95 -0.28 0.00 7.64 -0.88 -4.39 113.62 116.01 1qh1 n SER 236 Ca 0.04 0.33 0.05 0.00 1.01 0.00 0.00 58.87 60.30 1qh1 n SER 236 Cb 0.22 -0.82 0.19 0.00 -1.01 0.00 0.00 64.21 62.79 1qh1 n SER 236 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1qh1 h ARG 237 N -0.95 0.58 -0.97 1.43 2.43 -0.27 -2.04 114.38 114.58 1qh1 h ARG 237 Ca -0.67 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.58 1qh1 h ARG 237 Cb 1.61 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.95 1qh1 h ARG 237 CO -0.39 0.38 0.62 0.97 -1.51 0.00 0.00 179.97 180.04 1qh1 h ILE 238 N 0.60 0.94 -0.27 1.20 2.10 -1.65 -0.78 117.51 119.65 1qh1 h ILE 238 Ca 0.42 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.95 1qh1 h ILE 238 Cb 0.56 -0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.18 1qh1 h ILE 238 CO -0.34 0.17 -0.16 -0.07 -1.08 0.00 0.00 178.15 176.68 1qh1 h LEU 239 N 0.96 0.60 -0.71 2.19 3.38 -1.59 -0.45 115.31 119.69 1qh1 h LEU 239 Ca 0.47 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qh1 h LEU 239 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1qh1 h LEU 239 CO -0.23 0.89 0.42 -0.07 0.09 0.00 0.00 178.44 179.54 1qh1 h LEU 240 N 0.31 0.86 -1.08 1.67 3.38 -1.21 -1.24 115.31 118.00 1qh1 h LEU 240 Ca 0.06 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1qh1 h LEU 240 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1qh1 h LEU 240 CO 0.04 0.68 -0.45 -0.33 0.09 0.00 0.00 178.44 178.47 1qh1 h GLU 241 N 0.97 0.00 0.00 1.13 5.08 -1.08 -1.90 114.58 118.78 1qh1 h GLU 241 Ca 0.25 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 1qh1 h GLU 241 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qh1 h GLU 241 CO -0.05 0.45 -0.46 0.93 -1.00 0.00 0.00 179.01 178.89 1qh1 h GLU 242 N 0.00 0.00 -0.00 2.33 5.08 -0.67 -1.75 114.58 119.57 1qh1 h GLU 242 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qh1 h GLU 242 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1qh1 h GLU 242 CO 0.06 0.46 0.00 -0.12 -1.00 0.00 0.00 179.01 178.41 1qh1 n MET 243 N -3.68 1.07 -0.28 2.33 1.56 -0.50 -4.90 117.12 112.72 1qh1 n MET 243 Ca -0.01 -0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 1qh1 n MET 243 Cb 0.53 -1.47 0.00 0.00 2.15 0.00 0.00 33.22 34.43 1qh1 n MET 243 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1qh1 n GLY 244 N 0.99 0.86 3.91 -5.12 0.00 -0.66 -4.73 105.19 100.45 1qh1 n GLY 244 Ca 0.22 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1qh1 n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qh1 s LEU 245 N 0.00 3.97 -0.29 0.99 1.43 -0.76 -4.88 118.68 119.14 1qh1 s LEU 245 Ca 0.00 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1qh1 s LEU 245 Cb 0.00 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1qh1 s LEU 245 CO 0.00 -0.29 0.06 -0.60 0.23 0.00 0.00 176.35 175.76 1qh1 s ARG 246 N -3.95 3.08 -0.62 1.70 3.52 -0.59 -4.10 118.95 118.00 1qh1 s ARG 246 Ca 0.44 -0.86 -0.23 0.00 -0.13 0.00 0.00 55.73 54.94 1qh1 s ARG 246 Cb -0.10 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 1qh1 s ARG 246 CO 0.34 -0.43 0.96 0.08 -0.81 0.00 0.00 175.30 175.44 1qh1 s VAL 247 N 1.48 4.33 0.19 7.11 1.01 -1.26 -0.86 120.40 132.40 1qh1 s VAL 247 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 61.98 62.06 1qh1 s VAL 247 Cb -0.17 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1qh1 s VAL 247 CO 0.02 -1.33 1.55 0.58 0.00 0.00 0.00 175.10 175.93 1qh1 h VAL 248 N 5.99 1.35 -2.86 2.92 2.07 -1.27 -3.46 116.25 120.99 1qh1 h VAL 248 Ca -0.28 -2.29 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 1qh1 h VAL 248 Cb 1.07 2.27 -0.22 0.00 -1.52 0.00 0.00 31.29 32.90 1qh1 h VAL 248 CO 1.14 0.63 -0.23 0.00 0.02 0.00 0.00 177.57 179.13 1qh1 s ALA 249 N -3.37 -0.93 -0.19 1.67 0.00 -1.25 -4.81 121.76 112.88 1qh1 s ALA 249 Ca -0.00 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1qh1 s ALA 249 Cb 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1qh1 s ALA 249 CO 0.76 -0.24 -0.12 -0.65 0.00 0.00 0.00 175.76 175.51 1qh1 s GLN 250 N -0.74 2.17 -0.27 0.00 -0.21 -1.26 -0.75 119.66 118.59 1qh1 s GLN 250 Ca -0.08 -0.84 -0.07 0.00 0.02 0.00 0.00 55.36 54.39 1qh1 s GLN 250 Cb -0.04 -2.42 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 1qh1 s GLN 250 CO 0.03 -0.39 0.07 -1.58 -2.12 0.00 0.00 175.29 171.30 1qh1 s TRP 251 N 1.38 3.11 -0.11 0.91 0.52 0.43 -4.16 118.94 121.01 1qh1 s TRP 251 Ca -0.00 -0.72 0.11 0.00 0.02 0.00 0.00 56.10 55.50 1qh1 s TRP 251 Cb -0.16 -2.24 0.19 0.00 -1.15 0.00 0.00 33.47 30.11 1qh1 s TRP 251 CO -0.09 -0.48 1.11 -1.13 0.02 0.00 0.00 176.95 176.38 1qh1 n SER 252 N 4.89 2.30 -4.67 2.95 3.41 -1.20 -0.17 113.62 121.13 1qh1 n SER 252 Ca -0.15 -2.61 -0.42 0.00 -0.26 0.00 0.00 58.87 55.42 1qh1 n SER 252 Cb 0.50 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1qh1 n SER 252 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qh1 s GLY 253 N -2.01 1.54 -1.74 5.00 0.00 -0.66 -0.37 107.32 109.08 1qh1 s GLY 253 Ca 0.19 1.08 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1qh1 s GLY 253 CO 0.03 3.03 0.00 1.34 0.00 0.00 0.00 173.10 177.49 1qh1 n ASP 254 N 6.59 -5.17 -4.94 1.64 2.03 -1.03 -4.74 116.55 110.93 1qh1 n ASP 254 Ca 0.17 0.21 -0.24 0.00 0.52 0.00 0.00 54.79 55.45 1qh1 n ASP 254 Cb 0.42 -4.44 0.03 0.00 -0.72 0.00 0.00 41.12 36.41 1qh1 n ASP 254 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1qh1 s GLY 255 N -2.25 1.66 0.14 0.27 0.00 0.51 -4.86 107.32 102.78 1qh1 s GLY 255 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.77 1qh1 s GLY 255 CO 0.00 -0.73 -0.11 -0.51 0.00 0.00 0.00 173.10 171.75 1qh1 s THR 256 N -2.85 1.19 0.21 0.90 -4.23 -1.26 -0.82 115.64 108.78 1qh1 s THR 256 Ca 0.54 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 1qh1 s THR 256 Cb -0.10 -1.69 0.15 0.00 1.34 0.00 0.00 72.50 72.20 1qh1 s THR 256 CO 0.41 -0.63 1.80 0.25 -0.54 0.00 0.00 174.62 175.91 1qh1 h LEU 257 N 3.08 1.04 -0.23 4.79 5.85 -1.94 -2.62 115.31 125.29 1qh1 h LEU 257 Ca -0.37 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1qh1 h LEU 257 Cb 1.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1qh1 h LEU 257 CO 0.58 0.89 0.03 0.58 -0.34 0.00 0.00 178.44 180.18 1qh1 h VAL 258 N 1.11 0.88 -0.96 1.05 2.07 -1.98 -0.88 116.25 117.53 1qh1 h VAL 258 Ca 0.27 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.77 1qh1 h VAL 258 Cb 0.14 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1qh1 h VAL 258 CO -0.03 0.02 0.63 -0.33 0.02 0.00 0.00 177.57 177.88 1qh1 h GLU 259 N 0.11 1.23 -0.33 1.57 5.08 -1.80 -1.44 114.58 119.00 1qh1 h GLU 259 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1qh1 h GLU 259 Cb 0.11 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1qh1 h GLU 259 CO -0.15 0.81 0.15 0.52 -1.00 0.00 0.00 179.01 179.34 1qh1 h MET 260 N 1.27 0.48 0.00 2.33 2.86 -1.08 -2.31 114.93 118.47 1qh1 h MET 260 Ca 0.36 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1qh1 h MET 260 Cb -0.10 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1qh1 h MET 260 CO -0.09 0.46 -0.06 0.93 1.06 0.00 0.00 176.91 179.21 1qh1 h GLU 261 N 0.39 0.00 -0.14 1.72 5.08 -0.58 -1.68 114.58 119.36 1qh1 h GLU 261 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1qh1 h GLU 261 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qh1 h GLU 261 CO -0.01 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 1qh1 n ASN 262 N -3.98 1.87 -0.07 1.42 3.02 -0.60 -4.39 115.26 112.53 1qh1 n ASN 262 Ca -0.03 -1.70 -0.06 0.00 -0.03 0.00 0.00 54.58 52.77 1qh1 n ASN 262 Cb 0.15 -0.08 0.13 0.00 -0.61 0.00 0.00 39.78 39.36 1qh1 n ASN 262 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1qh1 h THR 263 N 2.61 1.26 0.00 3.41 2.02 -0.79 -1.93 112.91 119.50 1qh1 h THR 263 Ca 0.00 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1qh1 h THR 263 Cb 0.57 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1qh1 h THR 263 CO 0.00 0.41 0.00 -2.65 0.37 0.00 0.00 175.52 173.65 1qh1 n PRO 264 N -4.14 0.02 0.00 6.66 -0.02 -1.26 -1.48 135.00 134.78 1qh1 n PRO 264 Ca 0.01 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1qh1 n PRO 264 Cb 0.40 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.60 1qh1 n PRO 264 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qh1 n PHE 265 N -1.40 0.00 -1.69 6.00 3.72 -0.72 -4.99 117.46 118.38 1qh1 n PHE 265 Ca 0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 1qh1 n PHE 265 Cb 0.03 -0.04 0.15 0.00 -0.94 0.00 0.00 39.48 38.68 1qh1 n PHE 265 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1qh1 s VAL 266 N -2.30 1.95 -0.11 -4.37 -7.23 -0.55 -4.98 120.40 102.81 1qh1 s VAL 266 Ca 0.26 0.00 0.20 0.00 -1.81 0.00 0.00 61.98 60.63 1qh1 s VAL 266 Cb 0.19 -2.85 -0.24 0.00 0.56 0.00 0.00 36.38 34.04 1qh1 s VAL 266 CO 0.46 0.00 0.50 0.29 -0.31 0.00 0.00 175.10 176.03 1qh1 n LYS 267 N -3.78 0.65 -3.65 4.82 4.76 -0.11 -4.90 118.16 115.96 1qh1 n LYS 267 Ca 0.10 -0.03 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1qh1 n LYS 267 Cb 0.60 -1.61 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 1qh1 n LYS 267 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1qh1 s LEU 268 N -5.11 -0.81 -0.21 -0.35 2.96 -1.17 -4.27 118.68 109.72 1qh1 s LEU 268 Ca -0.07 1.41 -0.12 0.00 -0.22 0.00 0.00 54.13 55.13 1qh1 s LEU 268 Cb 0.10 2.20 -0.05 0.00 0.50 0.00 0.00 46.19 48.95 1qh1 s LEU 268 CO 0.86 -0.23 0.23 0.20 -1.32 0.00 0.00 176.35 176.08 1qh1 s ASN 269 N 1.65 6.25 -0.45 3.68 0.01 -0.55 -2.33 114.94 123.20 1qh1 s ASN 269 Ca -0.10 0.28 -0.08 0.00 -0.71 0.00 0.00 52.86 52.25 1qh1 s ASN 269 Cb -0.06 -2.14 0.11 0.00 0.41 0.00 0.00 41.25 39.57 1qh1 s ASN 269 CO -0.19 0.06 0.31 -0.76 -1.51 0.00 0.00 177.10 175.01 1qh1 s LEU 270 N 0.92 5.55 -0.38 0.60 1.43 -0.30 -1.65 118.68 124.86 1qh1 s LEU 270 Ca 0.11 -1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 51.13 1qh1 s LEU 270 Cb -0.13 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1qh1 s LEU 270 CO 0.04 -0.65 0.69 -0.69 0.23 0.00 0.00 176.35 175.97 1qh1 s VAL 271 N 1.34 4.82 -0.15 -1.59 1.01 0.22 0.14 120.40 126.19 1qh1 s VAL 271 Ca 0.06 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1qh1 s VAL 271 Cb -0.25 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1qh1 s VAL 271 CO -0.01 -0.42 -0.20 1.57 0.00 0.00 0.00 175.10 176.04 1qh1 n HIS 272 N 6.24 0.79 -2.73 5.22 -0.00 -0.27 -1.73 115.22 122.74 1qh1 n HIS 272 Ca 0.00 0.34 -0.42 0.00 0.46 0.00 0.00 57.72 58.10 1qh1 n HIS 272 Cb 0.48 -0.74 -0.03 0.00 -0.12 0.00 0.00 29.99 29.58 1qh1 n HIS 272 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1qh1 h TYR 274 N 9.62 0.72 -0.01 0.00 3.20 -1.90 -2.95 116.97 125.66 1qh1 h TYR 274 Ca -0.14 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.74 1qh1 h TYR 274 Cb 1.05 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1qh1 h TYR 274 CO 1.09 0.54 -0.18 -0.09 -1.64 0.00 0.00 178.16 177.88 1qh1 h ARG 275 N 0.70 -0.28 0.00 1.82 9.65 -1.90 -0.45 114.38 123.92 1qh1 h ARG 275 Ca 0.18 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1qh1 h ARG 275 Cb 0.06 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1qh1 h ARG 275 CO -0.03 -0.19 -0.14 0.66 2.80 0.00 0.00 179.97 183.07 1qh1 h SER 276 N -0.29 0.00 0.00 -3.80 4.64 -1.93 -3.38 113.55 108.79 1qh1 h SER 276 Ca 0.06 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1qh1 h SER 276 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1qh1 h SER 276 CO -0.18 0.00 -0.34 0.23 -0.87 0.00 0.00 176.83 175.68 1qh1 n MET 277 N -2.90 0.29 0.05 4.77 2.81 -1.11 -4.71 117.12 116.31 1qh1 n MET 277 Ca 0.04 -1.19 -0.00 0.00 -1.81 0.00 0.00 57.70 54.73 1qh1 n MET 277 Cb 0.52 -0.67 0.29 0.00 -0.71 0.00 0.00 33.22 32.65 1qh1 n MET 277 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 1qh1 h ASN 278 N 0.00 0.39 -0.35 7.83 7.08 -1.26 -2.68 115.58 126.60 1qh1 h ASN 278 Ca 0.00 -0.10 0.07 0.00 -3.08 0.00 0.00 56.30 53.20 1qh1 h ASN 278 Cb 1.26 -0.10 -0.07 0.00 -2.08 0.00 0.00 38.32 37.32 1qh1 h ASN 278 CO 0.00 0.56 -0.13 1.88 -2.08 0.00 0.00 177.43 177.65 1qh1 h TYR 279 N 0.38 -0.31 0.00 4.14 0.05 -1.85 -0.53 116.97 118.85 1qh1 h TYR 279 Ca 0.07 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 1qh1 h TYR 279 Cb 0.46 0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1qh1 h TYR 279 CO 0.01 -0.21 -0.57 0.97 -1.05 0.00 0.00 178.16 177.32 1qh1 h ILE 280 N -0.06 1.14 -0.50 -2.88 6.09 -1.86 -1.66 117.51 117.77 1qh1 h ILE 280 Ca 0.18 -2.15 -0.07 0.00 -1.37 0.00 0.00 64.86 61.45 1qh1 h ILE 280 Cb 0.33 2.25 -0.02 0.00 0.47 0.00 0.00 36.82 39.85 1qh1 h ILE 280 CO -0.40 0.55 0.04 0.00 -3.07 0.00 0.00 178.15 175.28 1qh1 h ALA 281 N 1.43 0.67 -0.66 0.18 0.00 -1.08 -0.80 119.26 119.02 1qh1 h ALA 281 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1qh1 h ALA 281 Cb 1.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1qh1 h ALA 281 CO 0.07 0.45 0.08 0.00 0.00 0.00 0.00 179.25 179.85 1qh1 h ARG 282 N 0.73 1.10 -0.66 0.00 3.08 -0.89 -2.09 114.38 115.65 1qh1 h ARG 282 Ca 0.15 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1qh1 h ARG 282 Cb 0.46 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1qh1 h ARG 282 CO 0.02 1.02 0.38 1.25 -1.07 0.00 0.00 179.97 181.57 1qh1 h HIS 283 N 1.02 0.90 -0.10 3.04 2.76 -1.12 -1.31 115.15 120.33 1qh1 h HIS 283 Ca 0.20 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1qh1 h HIS 283 Cb 0.47 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1qh1 h HIS 283 CO 0.03 0.63 -0.34 0.52 -1.30 0.00 0.00 177.93 177.48 1qh1 h MET 284 N 0.91 0.20 -0.32 5.26 2.86 -0.87 -0.20 114.93 122.78 1qh1 h MET 284 Ca 0.24 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1qh1 h MET 284 Cb 0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1qh1 h MET 284 CO -0.04 0.52 -0.07 1.49 1.06 0.00 0.00 176.91 179.87 1qh1 h GLU 285 N 0.18 0.60 -0.20 1.72 4.22 -1.01 -0.81 114.58 119.28 1qh1 h GLU 285 Ca 0.02 -0.23 -0.20 0.00 0.08 0.00 0.00 59.36 59.03 1qh1 h GLU 285 Cb 0.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1qh1 h GLU 285 CO 0.05 0.78 -0.68 0.93 -2.18 0.00 0.00 179.01 177.91 1qh1 h GLU 286 N 0.38 0.79 0.15 1.92 3.07 -0.81 -2.22 114.58 117.85 1qh1 h GLU 286 Ca 0.08 -0.58 -0.35 0.00 -0.50 0.00 0.00 59.36 58.01 1qh1 h GLU 286 Cb 0.55 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1qh1 h GLU 286 CO 0.03 1.20 -1.82 -0.22 -1.40 0.00 0.00 179.01 176.80 1qh1 h LYS 287 N 0.57 0.32 -0.01 2.33 3.64 -1.13 -3.40 116.57 118.88 1qh1 h LYS 287 Ca -0.02 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1qh1 h LYS 287 Cb 1.30 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1qh1 h LYS 287 CO 0.14 1.22 -0.04 0.72 -2.27 0.00 0.00 179.45 179.23 1qh1 n HIS 288 N -3.51 0.00 -2.54 1.91 8.25 -0.34 -4.99 115.22 113.99 1qh1 n HIS 288 Ca -0.26 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.00 1qh1 n HIS 288 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.18 1qh1 n HIS 288 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qh1 n GLN 289 N 0.46 -2.42 -3.31 -0.41 3.00 -0.84 -4.96 117.38 108.90 1qh1 n GLN 289 Ca 0.06 0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 57.54 1qh1 n GLN 289 Cb 0.26 -5.53 -0.09 0.00 0.00 0.00 0.00 30.24 24.88 1qh1 n GLN 289 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1qh1 s ILE 290 N -3.02 5.08 0.81 5.09 1.01 -1.06 -4.95 121.20 124.16 1qh1 s ILE 290 Ca 0.08 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.62 1qh1 s ILE 290 Cb -0.04 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.56 1qh1 s ILE 290 CO 0.10 -0.26 1.17 -0.81 0.00 0.00 0.00 174.94 175.15 1qh1 n PRO 291 N 5.61 0.17 -4.07 2.79 -0.04 -1.26 -3.38 135.00 134.82 1qh1 n PRO 291 Ca -0.07 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1qh1 n PRO 291 Cb 0.49 -2.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.43 1qh1 n PRO 291 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1qh1 s TRP 292 N -2.13 0.51 -0.01 0.54 1.48 -1.26 -1.48 118.94 116.59 1qh1 s TRP 292 Ca 0.73 -0.89 -0.10 0.00 -1.06 0.00 0.00 56.10 54.79 1qh1 s TRP 292 Cb -0.29 -0.36 0.01 0.00 -1.16 0.00 0.00 33.47 31.67 1qh1 s TRP 292 CO 0.51 -0.29 0.20 0.00 -4.06 0.00 0.00 176.95 173.31 1qh1 s MET 293 N -3.18 0.52 0.28 3.25 0.23 -0.66 -4.97 119.30 114.77 1qh1 s MET 293 Ca 0.01 -0.27 -0.17 0.00 -1.03 0.00 0.00 55.69 54.23 1qh1 s MET 293 Cb 0.02 0.22 -0.09 0.00 -1.53 0.00 0.00 34.83 33.46 1qh1 s MET 293 CO -0.07 -0.13 0.74 -1.21 -2.03 0.00 0.00 175.02 172.33 1qh1 s GLU 294 N -1.22 4.12 0.32 3.16 2.02 -1.26 -0.61 118.70 125.23 1qh1 s GLU 294 Ca -0.13 0.78 -0.02 0.00 0.02 0.00 0.00 54.97 55.62 1qh1 s GLU 294 Cb -0.06 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 1qh1 s GLU 294 CO 0.02 0.26 0.42 1.52 0.02 0.00 0.00 175.26 177.49 1qh1 s TYR 295 N -1.78 1.11 -0.21 1.61 1.13 -0.70 -4.91 117.35 113.59 1qh1 s TYR 295 Ca 0.49 -1.31 -0.06 0.00 -1.41 0.00 0.00 57.07 54.79 1qh1 s TYR 295 Cb -0.13 -0.20 0.10 0.00 -1.10 0.00 0.00 41.96 40.63 1qh1 s TYR 295 CO 0.19 -1.04 0.41 1.21 -2.51 0.00 0.00 175.55 173.81 1qh1 s ASN 296 N -3.23 -0.16 -0.41 -0.18 3.84 -1.26 -4.58 114.94 108.95 1qh1 s ASN 296 Ca 0.32 0.83 0.05 0.00 0.21 0.00 0.00 52.86 54.27 1qh1 s ASN 296 Cb 0.01 1.30 0.51 0.00 -0.55 0.00 0.00 41.25 42.52 1qh1 s ASN 296 CO 0.20 -0.25 1.62 0.49 -2.79 0.00 0.00 177.10 176.38 1qh1 n PHE 297 N 5.39 2.25 -3.45 0.43 3.01 -1.26 -3.65 117.46 120.17 1qh1 n PHE 297 Ca -0.07 -2.10 -0.43 0.00 1.01 0.00 0.00 57.45 55.85 1qh1 n PHE 297 Cb 0.50 -0.77 -0.08 0.00 -0.01 0.00 0.00 39.48 39.12 1qh1 n PHE 297 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qh1 s PHE 298 N -3.46 3.27 0.00 1.38 0.08 -1.26 -0.73 117.98 117.25 1qh1 s PHE 298 Ca 0.53 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1qh1 s PHE 298 Cb 0.44 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 1qh1 s PHE 298 CO 0.02 -0.81 0.00 0.41 -0.10 0.00 0.00 175.22 174.75 1qh1 n GLY 299 N 5.12 -0.35 0.24 4.36 0.00 -1.26 -3.55 105.19 109.74 1qh1 n GLY 299 Ca -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 1qh1 n GLY 299 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qh1 h PRO 300 N 0.00 0.42 -0.12 1.61 0.13 -1.92 -0.67 132.00 131.44 1qh1 h PRO 300 Ca 0.00 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1qh1 h PRO 300 Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1qh1 h PRO 300 CO 0.00 0.63 0.01 1.15 -0.23 0.00 0.00 178.00 179.55 1qh1 h THR 301 N 0.38 1.24 -0.15 1.56 2.02 -1.90 -1.91 112.91 114.15 1qh1 h THR 301 Ca 0.06 -0.77 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 1qh1 h THR 301 Cb 0.61 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1qh1 h THR 301 CO 0.04 0.22 -0.50 0.11 0.37 0.00 0.00 175.52 175.77 1qh1 h LYS 302 N -0.04 0.40 -0.09 6.66 1.79 -1.71 -2.40 116.57 121.18 1qh1 h LYS 302 Ca 0.04 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1qh1 h LYS 302 Cb 0.34 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1qh1 h LYS 302 CO 0.00 0.81 0.05 0.82 -1.08 0.00 0.00 179.45 180.05 1qh1 h ILE 303 N 0.32 1.10 -0.75 1.86 2.04 -1.02 0.33 117.51 121.38 1qh1 h ILE 303 Ca 0.01 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1qh1 h ILE 303 Cb 0.99 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1qh1 h ILE 303 CO 0.09 0.08 0.27 0.00 0.00 0.00 0.00 178.15 178.59 1qh1 h ALA 304 N 0.94 0.98 -0.43 1.87 0.00 -1.31 0.18 119.26 121.48 1qh1 h ALA 304 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qh1 h ALA 304 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qh1 h ALA 304 CO -0.00 0.64 0.26 1.49 0.00 0.00 0.00 179.25 181.63 1qh1 h GLU 305 N 1.10 0.59 -0.32 0.00 4.81 -1.22 -0.96 114.58 118.58 1qh1 h GLU 305 Ca 0.25 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1qh1 h GLU 305 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1qh1 h GLU 305 CO -0.01 0.44 -0.03 0.77 -0.73 0.00 0.00 179.01 179.44 1qh1 h SER 306 N 0.57 0.59 -0.43 1.04 0.02 -0.60 -1.32 113.55 113.42 1qh1 h SER 306 Ca 0.16 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1qh1 h SER 306 Cb 0.00 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1qh1 h SER 306 CO -0.03 0.78 0.14 -0.07 -1.14 0.00 0.00 176.83 176.51 1qh1 h LEU 307 N 0.38 0.62 -0.81 5.07 3.38 -0.47 -0.07 115.31 123.41 1qh1 h LEU 307 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1qh1 h LEU 307 Cb 0.50 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1qh1 h LEU 307 CO 0.02 0.66 0.46 0.03 0.09 0.00 0.00 178.44 179.70 1qh1 h ARG 308 N 0.56 1.13 -0.30 1.13 3.08 -1.12 -0.61 114.38 118.25 1qh1 h ARG 308 Ca 0.14 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 1qh1 h ARG 308 Cb 0.25 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1qh1 h ARG 308 CO -0.01 0.82 -0.49 -0.22 -1.07 0.00 0.00 179.97 179.00 1qh1 h LYS 309 N 1.13 0.84 -0.11 0.04 3.64 -0.86 -1.57 116.57 119.69 1qh1 h LYS 309 Ca 0.29 -0.50 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1qh1 h LYS 309 Cb 0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1qh1 h LYS 309 CO -0.05 1.14 0.06 0.82 -2.27 0.00 0.00 179.45 179.15 1qh1 h ILE 310 N 0.66 1.10 0.00 2.00 2.04 -0.90 -2.24 117.51 120.17 1qh1 h ILE 310 Ca 0.03 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1qh1 h ILE 310 Cb 1.09 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1qh1 h ILE 310 CO 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 178.27 1qh1 h ALA 311 N 0.94 1.59 0.00 1.87 0.00 -1.02 -1.79 119.26 120.84 1qh1 h ALA 311 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qh1 h ALA 311 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qh1 h ALA 311 CO -0.01 0.10 0.00 -3.47 0.00 0.00 0.00 179.25 175.87 1qh1 n ASP 312 N -4.03 0.43 -0.03 0.00 2.03 -0.60 -1.45 116.55 112.89 1qh1 n ASP 312 Ca -0.03 0.59 0.14 0.00 0.52 0.00 0.00 54.79 56.01 1qh1 n ASP 312 Cb 0.16 -0.69 0.55 0.00 -0.72 0.00 0.00 41.12 40.43 1qh1 n ASP 312 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qh1 n GLN 313 N -1.95 0.24 0.00 -0.67 1.13 -0.67 -4.78 117.38 110.67 1qh1 n GLN 313 Ca 0.03 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1qh1 n GLN 313 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1qh1 n GLN 313 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1qh1 n PHE 314 N -1.32 0.00 -3.99 1.08 3.72 -0.53 -5.15 117.46 111.27 1qh1 n PHE 314 Ca 0.10 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.37 1qh1 n PHE 314 Cb 0.31 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.84 1qh1 n PHE 314 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1qh1 s ASP 315 N -0.13 0.68 0.52 4.37 1.47 -1.25 -5.05 116.67 117.29 1qh1 s ASP 315 Ca 0.00 -1.42 0.21 0.00 1.18 0.00 0.00 52.55 52.53 1qh1 s ASP 315 Cb 0.00 0.74 1.40 0.00 -0.34 0.00 0.00 42.92 44.73 1qh1 s ASP 315 CO 0.00 -1.47 2.13 0.44 0.68 0.00 0.00 175.17 176.96 1qh1 h ASP 316 N 2.05 0.00 -0.14 2.11 3.32 -1.99 -0.71 116.42 121.06 1qh1 h ASP 316 Ca -0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1qh1 h ASP 316 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1qh1 h ASP 316 CO 0.40 0.06 0.07 0.74 -1.72 0.00 0.00 179.24 178.79 1qh1 h THR 317 N 0.00 1.12 0.00 0.35 2.02 -1.97 -1.67 112.91 112.77 1qh1 h THR 317 Ca -0.00 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1qh1 h THR 317 Cb 0.13 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1qh1 h THR 317 CO 0.01 0.12 -0.61 0.40 0.37 0.00 0.00 175.52 175.81 1qh1 h ILE 318 N 0.10 1.31 -0.67 3.11 1.08 -1.69 -1.35 117.51 119.40 1qh1 h ILE 318 Ca 0.05 -2.17 -0.03 0.00 -0.39 0.00 0.00 64.86 62.32 1qh1 h ILE 318 Cb 0.12 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 1qh1 h ILE 318 CO -0.01 0.59 0.28 0.03 -0.69 0.00 0.00 178.15 178.36 1qh1 h ARG 319 N 0.00 0.99 -0.14 2.37 3.08 -1.06 0.13 114.38 119.75 1qh1 h ARG 319 Ca -0.01 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 1qh1 h ARG 319 Cb 1.16 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1qh1 h ARG 319 CO 0.08 0.82 -0.49 0.00 -1.07 0.00 0.00 179.97 179.31 1qh1 h ALA 320 N 1.13 0.91 -0.49 0.04 0.00 -1.07 -2.80 119.26 116.98 1qh1 h ALA 320 Ca 0.23 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1qh1 h ALA 320 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qh1 h ALA 320 CO -0.02 0.66 -0.06 -0.91 0.00 0.00 0.00 179.25 178.92 1qh1 h ASN 321 N 0.29 0.84 -0.63 0.00 2.35 -0.04 -1.66 115.58 116.72 1qh1 h ASN 321 Ca 0.01 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1qh1 h ASN 321 Cb 0.97 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1qh1 h ASN 321 CO 0.08 0.93 0.41 0.00 -1.65 0.00 0.00 177.43 177.21 1qh1 h ALA 322 N 1.15 0.81 -0.45 -0.83 0.00 -0.55 -0.72 119.26 118.66 1qh1 h ALA 322 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1qh1 h ALA 322 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1qh1 h ALA 322 CO 0.03 0.21 0.04 0.93 0.00 0.00 0.00 179.25 180.46 1qh1 h GLU 323 N 0.83 0.72 -0.54 0.00 4.39 -1.27 -1.42 114.58 117.29 1qh1 h GLU 323 Ca 0.24 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1qh1 h GLU 323 Cb -0.07 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1qh1 h GLU 323 CO -0.06 0.71 0.04 0.00 -1.16 0.00 0.00 179.01 178.54 1qh1 h ALA 324 N 1.36 0.72 -0.10 3.43 0.00 -0.81 -0.73 119.26 123.14 1qh1 h ALA 324 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1qh1 h ALA 324 Cb 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qh1 h ALA 324 CO 0.01 0.51 0.00 0.28 0.00 0.00 0.00 179.25 180.05 1qh1 h VAL 325 N 0.81 1.25 -0.50 0.00 2.07 -0.88 -0.28 116.25 118.71 1qh1 h VAL 325 Ca 0.16 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.95 1qh1 h VAL 325 Cb 0.47 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1qh1 h VAL 325 CO 0.02 0.22 0.20 0.40 0.02 0.00 0.00 177.57 178.43 1qh1 h ILE 326 N -0.10 0.87 -0.55 4.57 2.04 -1.23 -1.91 117.51 121.20 1qh1 h ILE 326 Ca 0.03 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1qh1 h ILE 326 Cb 0.35 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1qh1 h ILE 326 CO 0.00 0.07 0.20 0.00 0.00 0.00 0.00 178.15 178.43 1qh1 h ALA 327 N 1.32 1.32 -0.46 1.87 0.00 -1.00 -2.46 119.26 119.84 1qh1 h ALA 327 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1qh1 h ALA 327 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qh1 h ALA 327 CO -0.22 0.50 0.14 -0.09 0.00 0.00 0.00 179.25 179.58 1qh1 h ARG 328 N 0.79 0.67 -0.28 0.00 2.43 -0.28 -2.86 114.38 114.86 1qh1 h ARG 328 Ca 0.19 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1qh1 h ARG 328 Cb 0.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1qh1 h ARG 328 CO -0.01 0.59 0.00 0.66 -1.51 0.00 0.00 179.97 179.70 1qh1 n TYR 329 N -4.32 0.35 -0.19 2.20 4.01 -0.90 -4.53 117.16 113.77 1qh1 n TYR 329 Ca 0.03 -0.18 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 1qh1 n TYR 329 Cb 0.19 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.38 1qh1 n TYR 329 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1qh1 h GLU 330 N 4.54 0.97 -0.55 -0.72 4.22 -1.20 -0.90 114.58 120.94 1qh1 h GLU 330 Ca 0.00 -0.17 -0.05 0.00 0.08 0.00 0.00 59.36 59.22 1qh1 h GLU 330 Cb 0.99 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1qh1 h GLU 330 CO 0.00 0.81 0.13 0.78 -2.18 0.00 0.00 179.01 178.55 1qh1 h GLY 331 N 1.04 0.95 1.01 1.92 0.00 -1.80 0.79 103.07 106.98 1qh1 h GLY 331 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1qh1 h GLY 331 CO -0.02 0.56 0.45 -1.61 0.00 0.00 0.00 176.54 175.92 1qh1 h GLN 332 N 0.79 0.95 -0.39 4.80 4.15 -1.75 -1.75 115.11 121.91 1qh1 h GLN 332 Ca 0.17 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 1qh1 h GLN 332 Cb 0.34 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1qh1 h GLN 332 CO 0.00 0.65 -0.04 0.52 -1.93 0.00 0.00 178.83 178.03 1qh1 h MET 333 N 0.97 0.71 -0.44 1.69 2.86 -0.85 -1.83 114.93 118.05 1qh1 h MET 333 Ca 0.26 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1qh1 h MET 333 Cb -0.08 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1qh1 h MET 333 CO -0.05 0.83 0.15 0.00 1.06 0.00 0.00 176.91 178.89 1qh1 h ALA 334 N 0.86 1.45 -0.39 6.32 0.00 -0.58 -1.53 119.26 125.39 1qh1 h ALA 334 Ca 0.10 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1qh1 h ALA 334 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qh1 h ALA 334 CO 0.03 0.41 -0.28 0.00 0.00 0.00 0.00 179.25 179.41 1qh1 h ALA 335 N 1.55 0.77 -0.56 0.00 0.00 -1.08 -0.76 119.26 119.17 1qh1 h ALA 335 Ca 0.15 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1qh1 h ALA 335 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1qh1 h ALA 335 CO -0.01 0.65 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 1qh1 h ILE 336 N 0.71 1.27 -0.35 0.00 2.04 -0.77 -0.90 117.51 119.51 1qh1 h ILE 336 Ca 0.08 -1.17 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 1qh1 h ILE 336 Cb 0.82 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1qh1 h ILE 336 CO 0.07 0.42 -0.24 0.40 0.00 0.00 0.00 178.15 178.80 1qh1 h ILE 337 N 0.90 1.27 -0.16 -0.67 1.08 -1.18 -1.18 117.51 117.57 1qh1 h ILE 337 Ca 0.16 -1.33 -0.12 0.00 -0.39 0.00 0.00 64.86 63.17 1qh1 h ILE 337 Cb 0.58 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 1qh1 h ILE 337 CO 0.03 0.44 -0.43 0.00 -0.69 0.00 0.00 178.15 177.51 1qh1 h ALA 338 N 1.13 0.97 0.23 1.87 0.00 -0.86 -0.78 119.26 121.83 1qh1 h ALA 338 Ca 0.08 -0.44 -0.33 0.00 0.00 0.00 0.00 54.91 54.23 1qh1 h ALA 338 Cb 0.73 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.45 1qh1 h ALA 338 CO 0.06 0.63 -1.47 -0.22 0.00 0.00 0.00 179.25 178.25 1qh1 h LYS 339 N 0.31 0.50 0.00 0.00 3.64 -1.00 -3.42 116.57 116.60 1qh1 h LYS 339 Ca 0.03 -0.85 -0.24 0.00 -1.27 0.00 0.00 60.65 58.31 1qh1 h LYS 339 Cb 0.88 0.32 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1qh1 h LYS 339 CO 0.07 1.41 -2.01 0.66 -2.27 0.00 0.00 179.45 177.31 1qh1 n TYR 340 N -3.74 0.00 -0.37 1.91 4.01 -0.46 -4.45 117.16 114.06 1qh1 n TYR 340 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1qh1 n TYR 340 Cb 1.07 -0.71 0.14 0.00 -0.31 0.00 0.00 39.34 39.54 1qh1 n TYR 340 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1qh1 h ARG 341 N 0.00 1.22 0.00 -0.72 2.43 -1.27 -0.20 114.38 115.83 1qh1 h ARG 341 Ca -0.36 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1qh1 h ARG 341 Cb 1.80 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1qh1 h ARG 341 CO 0.02 0.81 -0.03 -1.35 -1.51 0.00 0.00 179.97 177.91 1qh1 h PRO 342 N 1.26 0.00 -0.01 0.20 0.11 -1.78 0.12 132.00 131.90 1qh1 h PRO 342 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1qh1 h PRO 342 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1qh1 h PRO 342 CO -0.13 0.03 -0.31 0.54 -0.21 0.00 0.00 178.00 177.92 1qh1 n ARG 343 N -3.44 0.76 0.00 1.05 1.74 -0.12 -4.31 116.66 112.35 1qh1 n ARG 343 Ca -0.02 -0.47 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 1qh1 n ARG 343 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1qh1 n ARG 343 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qh1 n LEU 344 N -0.71 0.00 -4.77 0.55 4.77 -0.65 -4.94 117.00 111.25 1qh1 n LEU 344 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 1qh1 n LEU 344 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1qh1 n LEU 344 CO 0.27 0.00 0.97 -1.83 -1.33 0.00 0.00 177.39 175.47 1qh1 s GLU 345 N -1.46 3.88 0.00 3.23 4.04 0.33 -2.61 118.70 126.10 1qh1 s GLU 345 Ca 0.00 2.17 0.00 0.00 0.04 0.00 0.00 54.97 57.18 1qh1 s GLU 345 Cb 0.00 -2.70 0.00 0.00 0.02 0.00 0.00 34.13 31.45 1qh1 s GLU 345 CO 0.00 -0.57 0.00 0.41 -1.84 0.00 0.00 175.26 173.26 1qh1 n GLY 346 N 0.65 3.12 3.81 -3.83 0.00 -0.38 -4.96 105.19 103.61 1qh1 n GLY 346 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1qh1 n GLY 346 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qh1 s ARG 347 N -0.84 4.32 -0.12 1.61 1.81 -1.07 -4.83 118.95 119.83 1qh1 s ARG 347 Ca 0.00 1.09 -0.05 0.00 -1.72 0.00 0.00 55.73 55.05 1qh1 s ARG 347 Cb 0.00 -2.53 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 1qh1 s ARG 347 CO 0.00 0.16 0.06 0.15 -0.68 0.00 0.00 175.30 175.00 1qh1 s LYS 348 N -2.60 3.38 0.02 3.54 3.01 -1.26 -1.66 119.74 124.17 1qh1 s LYS 348 Ca 0.54 -0.30 0.08 0.00 -1.01 0.00 0.00 55.97 55.29 1qh1 s LYS 348 Cb -0.13 -3.03 -0.02 0.00 -1.01 0.00 0.00 37.83 33.63 1qh1 s LYS 348 CO 0.18 0.63 -0.24 0.08 0.51 0.00 0.00 175.35 176.51 1qh1 s VAL 349 N -0.63 1.95 -0.12 3.17 1.01 0.75 -0.32 120.40 126.21 1qh1 s VAL 349 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1qh1 s VAL 349 Cb -0.12 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1qh1 s VAL 349 CO 0.02 0.41 -0.13 -0.22 0.00 0.00 0.00 175.10 175.18 1qh1 s LEU 350 N -0.94 2.72 -0.08 3.92 0.20 -0.76 -1.12 118.68 122.63 1qh1 s LEU 350 Ca 0.10 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 54.65 1qh1 s LEU 350 Cb -0.09 -1.61 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1qh1 s LEU 350 CO 0.01 0.18 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.27 1qh1 s LEU 351 N 0.24 2.25 -0.23 -0.68 1.43 -0.78 -1.06 118.68 119.85 1qh1 s LEU 351 Ca -0.09 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1qh1 s LEU 351 Cb -0.15 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.73 1qh1 s LEU 351 CO 0.05 0.22 0.22 -0.47 0.23 0.00 0.00 176.35 176.61 1qh1 s TYR 352 N -0.03 -0.23 0.00 0.29 5.04 -0.42 -0.95 117.35 121.04 1qh1 s TYR 352 Ca -0.07 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1qh1 s TYR 352 Cb -0.15 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.70 1qh1 s TYR 352 CO 0.05 -0.70 0.00 -1.33 -1.34 0.00 0.00 175.55 172.23 1qh1 n MET 353 N 5.31 0.00 0.00 4.97 2.81 -1.13 -4.07 117.12 125.01 1qh1 n MET 353 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1qh1 n MET 353 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 1qh1 n MET 353 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qh1 n GLY 354 N 0.00 1.26 0.00 3.03 0.00 -1.26 -0.44 105.19 107.78 1qh1 n GLY 354 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qh1 n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh1 n GLY 355 N 2.47 0.87 2.02 -0.02 0.00 -1.26 -1.75 105.19 107.52 1qh1 n GLY 355 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qh1 n GLY 355 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qh1 n LEU 356 N -0.00 -0.42 0.28 0.99 7.94 -1.26 -4.61 117.00 119.92 1qh1 n LEU 356 Ca 0.00 0.23 0.12 0.00 -1.11 0.00 0.00 56.01 55.25 1qh1 n LEU 356 Cb 0.23 0.53 0.79 0.00 0.53 0.00 0.00 43.42 45.50 1qh1 n LEU 356 CO 0.00 -0.52 1.09 0.03 -1.11 0.00 0.00 177.39 176.88 1qh1 h ARG 357 N 0.00 0.00 -0.25 1.96 3.08 -1.95 -1.29 114.38 115.93 1qh1 h ARG 357 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1qh1 h ARG 357 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1qh1 h ARG 357 CO 0.00 0.01 0.19 -1.35 -1.07 0.00 0.00 179.97 177.74 1qh1 h PRO 358 N 0.00 0.00 0.00 0.04 0.11 -1.91 -1.70 132.00 128.54 1qh1 h PRO 358 Ca -0.00 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.74 1qh1 h PRO 358 Cb 0.01 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.06 1qh1 h PRO 358 CO 0.00 0.00 -2.36 2.89 -0.21 0.00 0.00 178.00 178.32 1qh1 n ARG 359 N -4.38 0.68 0.19 1.05 1.85 -0.85 -4.63 116.66 110.57 1qh1 n ARG 359 Ca 0.03 0.03 0.05 0.00 -1.00 0.00 0.00 57.85 56.96 1qh1 n ARG 359 Cb 0.34 -1.54 0.39 0.00 -1.05 0.00 0.00 32.46 30.60 1qh1 n ARG 359 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1qh1 h HIS 360 N 0.00 0.00 -0.01 2.89 2.76 -0.37 -2.55 115.15 117.87 1qh1 h HIS 360 Ca -0.54 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 1qh1 h HIS 360 Cb 2.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.15 1qh1 h HIS 360 CO 0.00 0.36 -0.07 1.33 -1.30 0.00 0.00 177.93 178.25 1qh1 n VAL 361 N -3.79 0.00 -0.25 5.26 0.24 -0.86 -4.39 118.33 114.54 1qh1 n VAL 361 Ca -0.01 -0.22 -0.06 0.00 -2.04 0.00 0.00 64.34 62.02 1qh1 n VAL 361 Cb 0.44 0.47 0.05 0.00 -1.47 0.00 0.00 33.84 33.33 1qh1 n VAL 361 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1qh1 h ILE 362 N 2.03 1.21 -0.53 1.34 2.04 -1.70 -2.34 117.51 119.56 1qh1 h ILE 362 Ca 0.00 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.41 1qh1 h ILE 362 Cb 0.50 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1qh1 h ILE 362 CO 0.00 0.24 0.17 1.23 0.00 0.00 0.00 178.15 179.79 1qh1 h GLY 363 N 0.96 0.71 1.37 5.37 0.00 -1.80 0.25 103.07 109.93 1qh1 h GLY 363 Ca 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1qh1 h GLY 363 CO -0.04 -0.02 0.18 0.00 0.00 0.00 0.00 176.54 176.66 1qh1 h ALA 364 N 1.37 1.30 -0.45 3.60 0.00 -1.48 0.10 119.26 123.70 1qh1 h ALA 364 Ca 0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1qh1 h ALA 364 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qh1 h ALA 364 CO -0.28 0.51 0.04 1.88 0.00 0.00 0.00 179.25 181.40 1qh1 h TYR 365 N 0.79 0.82 -0.17 0.00 0.05 -0.96 -2.94 116.97 114.56 1qh1 h TYR 365 Ca 0.18 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 1qh1 h TYR 365 Cb 0.21 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1qh1 h TYR 365 CO 0.01 0.78 -0.18 0.93 -1.05 0.00 0.00 178.16 178.65 1qh1 h GLU 366 N 0.62 0.29 0.00 4.88 5.08 -0.58 -1.55 114.58 123.32 1qh1 h GLU 366 Ca 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1qh1 h GLU 366 Cb 0.43 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1qh1 h GLU 366 CO 0.01 0.47 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.99 1qh1 h ASP 367 N 0.27 0.00 -0.56 1.42 3.32 -0.63 0.42 116.42 120.65 1qh1 h ASP 367 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1qh1 h ASP 367 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1qh1 h ASP 367 CO 0.03 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.80 1qh1 n LEU 368 N -3.93 4.71 0.00 1.55 4.77 -0.67 -4.94 117.00 118.49 1qh1 n LEU 368 Ca -0.03 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 1qh1 n LEU 368 Cb 0.16 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1qh1 n LEU 368 CO 0.30 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1qh1 n GLY 369 N 0.87 0.71 3.92 -0.72 0.00 0.14 -3.46 105.19 106.64 1qh1 n GLY 369 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1qh1 n GLY 369 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qh1 s MET 370 N -0.08 3.57 -0.05 1.61 -1.94 -0.68 -1.24 119.30 120.49 1qh1 s MET 370 Ca 0.00 -0.13 0.06 0.00 -1.71 0.00 0.00 55.69 53.92 1qh1 s MET 370 Cb 0.00 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.17 1qh1 s MET 370 CO 0.00 0.19 -0.24 -1.21 -0.01 0.00 0.00 175.02 173.75 1qh1 s GLU 371 N -3.83 2.33 -0.30 2.03 8.01 -0.67 -4.02 118.70 122.25 1qh1 s GLU 371 Ca 0.42 -0.85 -0.21 0.00 0.01 0.00 0.00 54.97 54.34 1qh1 s GLU 371 Cb -0.10 -2.02 -0.01 0.00 -4.31 0.00 0.00 34.13 27.69 1qh1 s GLU 371 CO 0.33 0.38 0.67 0.42 0.01 0.00 0.00 175.26 177.07 1qh1 s ILE 372 N -0.20 4.90 -0.71 -1.63 -1.09 -1.26 -0.18 121.20 121.04 1qh1 s ILE 372 Ca -0.02 0.95 0.22 0.00 -2.23 0.00 0.00 60.65 59.57 1qh1 s ILE 372 Cb -0.13 -4.03 -0.24 0.00 -1.58 0.00 0.00 42.46 36.48 1qh1 s ILE 372 CO 0.03 -0.16 0.82 2.30 -1.23 0.00 0.00 174.94 176.70 1qh1 n ILE 373 N 5.42 0.02 -3.59 2.92 -5.35 -0.27 -4.77 119.36 113.74 1qh1 n ILE 373 Ca 0.00 -0.15 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1qh1 n ILE 373 Cb 0.49 0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 38.95 1qh1 n ILE 373 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qh1 s ALA 374 N -3.15 -1.83 -0.09 -1.28 0.00 -1.24 -3.24 121.76 110.93 1qh1 s ALA 374 Ca 0.04 1.74 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 1qh1 s ALA 374 Cb 0.15 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1qh1 s ALA 374 CO 0.87 -0.33 0.21 0.00 0.00 0.00 0.00 175.76 176.51 1qh1 s ALA 375 N -0.30 -0.49 0.19 0.00 0.00 -0.60 -1.87 121.76 118.69 1qh1 s ALA 375 Ca -0.03 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 1qh1 s ALA 375 Cb -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1qh1 s ALA 375 CO 0.02 -0.15 0.21 0.20 0.00 0.00 0.00 175.76 176.05 1qh1 s GLY 376 N 0.72 1.04 0.05 0.00 0.00 -0.12 -2.00 107.32 107.01 1qh1 s GLY 376 Ca -0.05 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.34 1qh1 s GLY 376 CO -0.04 -1.16 -0.13 -0.19 0.00 0.00 0.00 173.10 171.58 1qh1 s TYR 377 N -4.09 1.15 0.04 1.90 1.51 -1.02 -2.84 117.35 114.00 1qh1 s TYR 377 Ca 0.30 -0.40 -0.26 0.00 -1.01 0.00 0.00 57.07 55.70 1qh1 s TYR 377 Cb 0.05 -0.67 -0.17 0.00 -0.11 0.00 0.00 41.96 41.06 1qh1 s TYR 377 CO 0.08 0.03 1.47 0.93 -1.11 0.00 0.00 175.55 176.95 1qh1 h GLU 378 N 4.68 -0.27 0.00 -0.62 5.08 -0.51 0.27 114.58 123.21 1qh1 h GLU 378 Ca -0.39 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1qh1 h GLU 378 Cb 1.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1qh1 h GLU 378 CO 0.42 -0.03 -0.36 1.97 -1.00 0.00 0.00 179.01 180.01 1qh1 n PHE 379 N -5.12 0.00 -0.75 4.33 1.16 -0.71 -3.81 117.46 112.55 1qh1 n PHE 379 Ca -0.09 -0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.19 1qh1 n PHE 379 Cb 0.20 -0.04 0.19 0.00 -1.61 0.00 0.00 39.48 38.22 1qh1 n PHE 379 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qh1 s ALA 380 N -0.00 0.83 0.46 1.98 0.00 -1.21 -4.72 121.76 119.10 1qh1 s ALA 380 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1qh1 s ALA 380 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1qh1 s ALA 380 CO 0.00 -3.04 0.37 -1.01 0.00 0.00 0.00 175.76 172.08 1qh1 s HIS 381 N -2.64 2.31 0.45 0.00 3.76 -1.26 -3.51 115.29 114.40 1qh1 s HIS 381 Ca 0.67 -0.63 0.21 0.00 -0.15 0.00 0.00 55.06 55.16 1qh1 s HIS 381 Cb -0.22 -2.06 1.26 0.00 1.11 0.00 0.00 32.58 32.67 1qh1 s HIS 381 CO 0.60 -0.21 2.05 -0.91 -0.85 0.00 0.00 174.74 175.42 1qh1 h ASN 382 N 0.98 0.00 0.79 1.40 4.21 -1.96 0.12 115.58 121.12 1qh1 h ASN 382 Ca -0.40 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.10 1qh1 h ASN 382 Cb 1.28 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1qh1 h ASN 382 CO 0.59 0.14 -0.07 -2.24 -1.29 0.00 0.00 177.43 174.56 1qh1 h ASP 383 N 0.00 0.00 0.09 5.81 3.04 -1.99 0.76 116.42 124.13 1qh1 h ASP 383 Ca -0.00 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.55 1qh1 h ASP 383 Cb 0.30 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.60 1qh1 h ASP 383 CO 0.02 0.07 -0.95 0.44 -2.04 0.00 0.00 179.24 176.77 1qh1 h ASP 384 N 0.00 0.79 -0.58 4.15 3.32 -1.16 -2.62 116.42 120.31 1qh1 h ASP 384 Ca -0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 1qh1 h ASP 384 Cb 0.48 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1qh1 h ASP 384 CO 0.01 1.40 0.27 1.88 -1.72 0.00 0.00 179.24 181.07 1qh1 h TYR 385 N 0.37 0.85 -0.46 4.55 0.05 -0.81 -2.31 116.97 119.20 1qh1 h TYR 385 Ca -0.10 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.70 1qh1 h TYR 385 Cb 1.59 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 39.02 1qh1 h TYR 385 CO 0.08 0.66 0.14 -0.44 -1.05 0.00 0.00 178.16 177.56 1qh1 h ASP 386 N 0.79 0.12 0.55 3.88 3.32 -0.95 -0.51 116.42 123.63 1qh1 h ASP 386 Ca 0.20 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1qh1 h ASP 386 Cb 0.14 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1qh1 h ASP 386 CO -0.02 0.10 0.00 0.54 -1.72 0.00 0.00 179.24 178.14 1qh1 n ARG 387 N -5.04 0.11 0.03 3.56 1.74 -0.98 -2.79 116.66 113.30 1qh1 n ARG 387 Ca 0.04 0.38 -0.08 0.00 -0.77 0.00 0.00 57.85 57.43 1qh1 n ARG 387 Cb 0.19 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 1qh1 n ARG 387 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1qh1 h THR 388 N 0.00 1.40 -0.76 0.55 2.02 -0.55 -3.40 112.91 112.17 1qh1 h THR 388 Ca 0.00 -3.16 0.09 0.00 0.77 0.00 0.00 66.41 64.11 1qh1 h THR 388 Cb 0.28 2.69 -0.05 0.00 -1.74 0.00 0.00 68.15 69.33 1qh1 h THR 388 CO 0.00 0.80 0.50 -0.07 0.37 0.00 0.00 175.52 177.11 1qh1 h LEU 389 N 0.00 0.64 -2.35 2.58 3.38 -1.33 -1.72 115.31 116.51 1qh1 h LEU 389 Ca -0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1qh1 h LEU 389 Cb 1.86 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 1qh1 h LEU 389 CO 0.11 0.39 -0.02 -0.65 0.09 0.00 0.00 178.44 178.36 1qh1 h PRO 390 N 0.72 0.00 -0.39 1.13 0.11 -1.78 -2.92 132.00 128.86 1qh1 h PRO 390 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1qh1 h PRO 390 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1qh1 h PRO 390 CO -0.12 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 177.44 1qh1 n ASP 391 N -3.25 3.94 -4.66 -2.05 8.00 -0.65 -4.97 116.55 112.91 1qh1 n ASP 391 Ca -0.02 -2.61 -0.33 0.00 0.71 0.00 0.00 54.79 52.54 1qh1 n ASP 391 Cb 0.16 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 1qh1 n ASP 391 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qh1 s LEU 392 N -2.10 3.46 0.44 0.64 1.43 -1.11 -4.98 118.68 116.46 1qh1 s LEU 392 Ca 0.40 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 1qh1 s LEU 392 Cb 0.28 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 1qh1 s LEU 392 CO 0.15 0.31 0.91 -0.54 0.23 0.00 0.00 176.35 177.40 1qh1 s LYS 393 N -1.35 4.02 0.28 1.70 -0.14 -1.26 -4.79 119.74 118.20 1qh1 s LYS 393 Ca 0.17 0.90 -0.30 0.00 -1.36 0.00 0.00 55.97 55.38 1qh1 s LYS 393 Cb -0.11 -2.23 -0.13 0.00 -1.68 0.00 0.00 37.83 33.68 1qh1 s LYS 393 CO 0.08 -0.10 1.44 -1.91 -0.76 0.00 0.00 175.35 174.09 1qh1 n GLU 394 N -1.07 2.24 -0.28 1.68 2.13 -1.26 -2.08 120.64 122.01 1qh1 n GLU 394 Ca 0.06 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1qh1 n GLU 394 Cb 0.54 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1qh1 n GLU 394 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qh1 n GLY 395 N 1.85 1.12 3.77 8.31 0.00 0.17 -4.71 105.19 115.71 1qh1 n GLY 395 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1qh1 n GLY 395 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qh1 n THR 396 N -2.00 1.80 -2.38 2.61 -1.04 -0.88 -3.85 114.28 108.53 1qh1 n THR 396 Ca 0.00 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.14 1qh1 n THR 396 Cb 0.00 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 66.53 1qh1 n THR 396 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1qh1 s LEU 397 N -1.68 4.29 -0.11 -4.42 2.96 -1.20 -1.34 118.68 117.18 1qh1 s LEU 397 Ca 0.56 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1qh1 s LEU 397 Cb -0.48 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.67 1qh1 s LEU 397 CO 0.61 -0.63 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.69 1qh1 s LEU 398 N 2.27 1.39 0.17 -0.68 2.96 -0.25 -1.55 118.68 122.98 1qh1 s LEU 398 Ca 0.59 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.08 1qh1 s LEU 398 Cb -0.27 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 1qh1 s LEU 398 CO 0.24 -0.07 0.26 0.72 -1.32 0.00 0.00 176.35 176.18 1qh1 s PHE 399 N 1.40 0.47 -0.03 5.38 -0.71 -0.85 -1.29 117.98 122.36 1qh1 s PHE 399 Ca -0.00 -0.83 0.01 0.00 -1.04 0.00 0.00 56.93 55.07 1qh1 s PHE 399 Cb -0.13 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1qh1 s PHE 399 CO -0.06 -0.71 -0.03 0.34 -1.34 0.00 0.00 175.22 173.43 1qh1 s ASP 400 N -2.99 0.59 -0.99 1.98 2.15 0.26 -2.45 116.67 115.23 1qh1 s ASP 400 Ca 0.19 -0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.98 1qh1 s ASP 400 Cb 0.04 -0.24 -0.01 0.00 -0.30 0.00 0.00 42.92 42.41 1qh1 s ASP 400 CO 0.01 -0.04 0.75 -0.67 -0.17 0.00 0.00 175.17 175.05 1qh1 n ASP 401 N 3.76 -5.89 -4.79 -0.34 2.03 0.08 -4.90 116.55 106.50 1qh1 n ASP 401 Ca -0.23 -0.78 -0.36 0.00 0.52 0.00 0.00 54.79 53.95 1qh1 n ASP 401 Cb 0.53 -3.62 -0.05 0.00 -0.72 0.00 0.00 41.12 37.25 1qh1 n ASP 401 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qh1 s ALA 402 N -3.27 3.11 0.79 -1.67 0.00 -1.26 -4.97 121.76 114.48 1qh1 s ALA 402 Ca 0.29 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1qh1 s ALA 402 Cb -0.09 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.88 1qh1 s ALA 402 CO 0.83 -0.01 1.16 -1.54 0.00 0.00 0.00 175.76 176.20 1qh1 s SER 403 N -1.74 4.66 0.25 0.00 1.04 -1.26 -3.98 113.70 112.67 1qh1 s SER 403 Ca 0.57 0.87 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 1qh1 s SER 403 Cb -0.18 -1.44 0.30 0.00 0.10 0.00 0.00 66.02 64.81 1qh1 s SER 403 CO 0.23 -1.81 1.80 -1.28 0.98 0.00 0.00 173.24 173.16 1qh1 h SER 404 N -0.99 0.91 -0.30 7.02 0.87 -1.42 0.65 113.55 120.29 1qh1 h SER 404 Ca -0.46 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.00 1qh1 h SER 404 Cb 1.31 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.98 1qh1 h SER 404 CO 0.65 0.85 -0.08 0.22 -0.53 0.00 0.00 176.83 177.94 1qh1 h TYR 405 N 0.95 -0.18 -0.26 2.24 5.03 -1.88 0.06 116.97 122.93 1qh1 h TYR 405 Ca 0.21 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 1qh1 h TYR 405 Cb 0.27 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 1qh1 h TYR 405 CO 0.02 -0.14 0.04 0.93 -1.32 0.00 0.00 178.16 177.69 1qh1 h GLU 406 N -0.01 0.44 -0.79 1.82 5.08 -1.77 0.82 114.58 120.16 1qh1 h GLU 406 Ca 0.15 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1qh1 h GLU 406 Cb 0.23 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1qh1 h GLU 406 CO -0.31 0.56 0.50 -0.07 -1.00 0.00 0.00 179.01 178.69 1qh1 h LEU 407 N 0.25 0.82 -0.84 1.33 3.38 -0.47 -1.17 115.31 118.62 1qh1 h LEU 407 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1qh1 h LEU 407 Cb 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1qh1 h LEU 407 CO 0.01 0.56 0.18 -0.08 0.09 0.00 0.00 178.44 179.19 1qh1 h GLU 408 N 0.97 1.04 -0.25 1.13 4.81 -0.82 -0.68 114.58 120.79 1qh1 h GLU 408 Ca 0.32 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1qh1 h GLU 408 Cb 0.04 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1qh1 h GLU 408 CO -0.12 0.91 -0.45 0.00 -0.73 0.00 0.00 179.01 178.62 1qh1 h ALA 409 N 1.19 0.76 -0.31 2.92 0.00 -0.32 -0.26 119.26 123.23 1qh1 h ALA 409 Ca 0.21 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1qh1 h ALA 409 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qh1 h ALA 409 CO -0.00 0.66 0.09 0.74 0.00 0.00 0.00 179.25 180.74 1qh1 h PHE 410 N 0.50 0.51 0.05 0.00 0.04 -1.01 -2.20 116.94 114.83 1qh1 h PHE 410 Ca 0.03 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1qh1 h PHE 410 Cb 0.98 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.98 1qh1 h PHE 410 CO 0.04 0.53 -0.03 0.28 -0.60 0.00 0.00 178.31 178.53 1qh1 h VAL 411 N 0.34 0.94 -0.81 -0.55 2.07 -0.93 0.55 116.25 117.87 1qh1 h VAL 411 Ca 0.10 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.73 1qh1 h VAL 411 Cb 0.26 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1qh1 h VAL 411 CO -0.00 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.14 1qh1 h LYS 412 N -0.08 0.69 0.08 1.57 1.57 -0.94 -1.55 116.57 117.92 1qh1 h LYS 412 Ca -0.01 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1qh1 h LYS 412 Cb 0.06 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.23 1qh1 h LYS 412 CO 0.01 0.46 -0.69 0.00 -0.57 0.00 0.00 179.45 178.65 1qh1 h ALA 413 N 1.48 -0.03 0.00 3.86 0.00 -1.23 -3.36 119.26 119.97 1qh1 h ALA 413 Ca 0.41 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1qh1 h ALA 413 Cb 0.44 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1qh1 h ALA 413 CO -0.28 0.34 -0.70 -0.07 0.00 0.00 0.00 179.25 178.54 1qh1 h LEU 414 N -0.31 0.00 -2.99 0.00 3.38 -0.88 -3.48 115.31 111.02 1qh1 h LEU 414 Ca -0.11 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.46 1qh1 h LEU 414 Cb 1.49 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.34 1qh1 h LEU 414 CO 0.13 0.70 -0.92 0.29 0.09 0.00 0.00 178.44 178.73 1qh1 n LYS 415 N -3.39 -1.60 -1.67 1.13 5.02 -0.59 -4.94 118.16 112.13 1qh1 n LYS 415 Ca 0.00 0.54 -0.35 0.00 -2.02 0.00 0.00 58.31 56.48 1qh1 n LYS 415 Cb 0.77 -4.48 0.07 0.00 -0.02 0.00 0.00 35.03 31.37 1qh1 n LYS 415 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qh1 s PRO 416 N -5.71 2.51 0.33 1.97 0.04 -1.26 -4.91 135.00 127.97 1qh1 s PRO 416 Ca 0.44 1.71 0.17 0.00 0.04 0.00 0.00 61.00 63.37 1qh1 s PRO 416 Cb -0.14 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.68 1qh1 s PRO 416 CO 0.84 -1.54 1.50 -0.44 0.04 0.00 0.00 177.00 177.40 1qh1 h ASP 417 N 0.12 0.00 -3.94 6.66 3.32 -1.03 -3.46 116.42 118.09 1qh1 h ASP 417 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1qh1 h ASP 417 Cb 1.29 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 1qh1 h ASP 417 CO 0.52 0.37 -0.26 -0.22 -1.72 0.00 0.00 179.24 177.93 1qh1 s LEU 418 N -6.41 0.53 -0.03 1.55 2.96 -0.87 -4.04 118.68 112.36 1qh1 s LEU 418 Ca 0.05 0.74 0.07 0.00 -0.22 0.00 0.00 54.13 54.77 1qh1 s LEU 418 Cb 0.07 1.33 -0.02 0.00 0.50 0.00 0.00 46.19 48.07 1qh1 s LEU 418 CO 0.72 -0.15 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.73 1qh1 s ILE 419 N 0.12 2.23 -0.18 6.68 1.01 -0.42 -1.84 121.20 128.80 1qh1 s ILE 419 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1qh1 s ILE 419 Cb -0.03 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1qh1 s ILE 419 CO 0.01 0.58 -0.13 -0.83 0.00 0.00 0.00 174.94 174.57 1qh1 s GLY 420 N -0.51 1.49 0.00 6.18 0.00 -0.22 -0.52 107.32 113.74 1qh1 s GLY 420 Ca 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1qh1 s GLY 420 CO 0.00 0.23 0.00 -1.26 0.00 0.00 0.00 173.10 172.08 1qh1 n SER 421 N 4.46 0.00 -3.06 1.64 2.88 -1.03 -1.31 113.62 117.21 1qh1 n SER 421 Ca -0.19 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.25 1qh1 n SER 421 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1qh1 n SER 421 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qh1 n GLY 422 N 0.00 3.01 0.19 0.46 0.00 -1.26 -0.44 105.19 107.15 1qh1 n GLY 422 Ca 0.00 -2.22 0.01 0.00 0.00 0.00 0.00 46.02 43.80 1qh1 n GLY 422 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qh1 h ILE 423 N 0.60 1.29 0.00 -0.61 6.09 -1.99 -0.80 117.51 122.09 1qh1 h ILE 423 Ca -0.13 -1.41 0.00 0.00 -1.37 0.00 0.00 64.86 61.94 1qh1 h ILE 423 Cb 0.48 1.71 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1qh1 h ILE 423 CO 0.21 0.41 0.00 0.29 -3.07 0.00 0.00 178.15 175.99 1qh1 n LYS 424 N -4.05 0.19 -0.04 2.19 5.02 -1.26 -3.34 118.16 116.87 1qh1 n LYS 424 Ca -0.02 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.52 1qh1 n LYS 424 Cb 0.44 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 1qh1 n LYS 424 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1qh1 n GLU 425 N -2.12 0.66 0.13 1.97 4.71 -0.68 -4.65 120.64 120.67 1qh1 n GLU 425 Ca 0.05 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.16 57.03 1qh1 n GLU 425 Cb 0.34 -1.59 -0.08 0.00 -1.01 0.00 0.00 31.44 29.11 1qh1 n GLU 425 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1qh1 h LYS 426 N 0.00 -0.67 0.00 3.49 3.64 -1.18 -2.59 116.57 119.25 1qh1 h LYS 426 Ca -0.28 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1qh1 h LYS 426 Cb 1.68 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1qh1 h LYS 426 CO 0.02 -0.45 0.00 1.88 -2.27 0.00 0.00 179.45 178.63 1qh1 h TYR 427 N -0.70 0.00 -0.07 1.91 0.05 -1.83 -2.10 116.97 114.24 1qh1 h TYR 427 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1qh1 h TYR 427 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1qh1 h TYR 427 CO -0.36 0.00 -0.14 0.82 -1.05 0.00 0.00 178.16 177.43 1qh1 h ILE 428 N 0.00 1.42 0.00 -2.88 2.04 -1.77 -2.95 117.51 113.36 1qh1 h ILE 428 Ca 0.00 -1.46 -0.14 0.00 1.00 0.00 0.00 64.86 64.26 1qh1 h ILE 428 Cb 0.76 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1qh1 h ILE 428 CO 0.00 0.41 -0.66 -0.26 0.00 0.00 0.00 178.15 177.63 1qh1 h PHE 429 N -0.28 0.00 -0.87 1.37 0.04 -1.38 -2.61 116.94 113.21 1qh1 h PHE 429 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1qh1 h PHE 429 Cb 0.73 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 1qh1 h PHE 429 CO 0.12 0.66 0.48 1.96 -0.60 0.00 0.00 178.31 180.92 1qh1 h GLN 430 N 0.00 1.22 -0.05 1.51 4.20 -1.43 -2.11 115.11 118.45 1qh1 h GLN 430 Ca -0.01 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1qh1 h GLN 430 Cb 1.17 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1qh1 h GLN 430 CO 0.09 0.89 -0.21 0.87 -0.67 0.00 0.00 178.83 179.80 1qh1 h LYS 431 N 1.23 0.08 0.00 1.46 1.57 -1.29 -1.30 116.57 118.32 1qh1 h LYS 431 Ca 0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1qh1 h LYS 431 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1qh1 h LYS 431 CO -0.05 0.30 0.00 -1.33 -0.57 0.00 0.00 179.45 177.80 1qh1 n MET 432 N -4.25 0.71 -1.44 3.15 2.81 -0.86 -4.90 117.12 112.34 1qh1 n MET 432 Ca -0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1qh1 n MET 432 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1qh1 n MET 432 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qh1 n GLY 433 N 0.55 0.38 3.35 3.03 0.00 -0.49 -5.05 105.19 106.95 1qh1 n GLY 433 Ca 0.17 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 1qh1 n GLY 433 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qh1 s VAL 434 N -2.00 3.92 0.15 1.61 1.01 -0.85 -5.04 120.40 119.20 1qh1 s VAL 434 Ca 0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 61.98 61.03 1qh1 s VAL 434 Cb 0.00 -2.98 -0.17 0.00 0.00 0.00 0.00 36.38 33.23 1qh1 s VAL 434 CO 0.00 0.14 0.87 -2.65 0.00 0.00 0.00 175.10 173.47 1qh1 n PRO 435 N 4.86 0.44 -3.91 2.72 -0.02 -1.26 -4.06 135.00 133.78 1qh1 n PRO 435 Ca -0.15 0.16 -0.18 0.00 -2.02 0.00 0.00 63.50 61.31 1qh1 n PRO 435 Cb 0.49 -1.45 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 1qh1 n PRO 435 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1qh1 s PHE 436 N -0.55 0.33 -0.09 6.00 2.19 -1.26 -1.30 117.98 123.31 1qh1 s PHE 436 Ca 0.72 -0.00 0.04 0.00 0.33 0.00 0.00 56.93 58.03 1qh1 s PHE 436 Cb -0.97 -0.44 -0.01 0.00 -1.31 0.00 0.00 43.02 40.29 1qh1 s PHE 436 CO 0.56 -0.15 -0.22 1.03 1.83 0.00 0.00 175.22 178.27 1qh1 s ARG 437 N 1.15 2.91 -0.09 10.12 1.81 0.32 -4.98 118.95 130.18 1qh1 s ARG 437 Ca -0.08 -0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 52.78 1qh1 s ARG 437 Cb -0.13 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.02 1qh1 s ARG 437 CO -0.02 0.27 1.51 -0.65 -0.68 0.00 0.00 175.30 175.74 1qh1 s GLN 438 N 0.12 4.20 -0.11 3.54 -0.21 -1.26 -2.47 119.66 123.47 1qh1 s GLN 438 Ca -0.11 2.00 0.16 0.00 0.02 0.00 0.00 55.36 57.43 1qh1 s GLN 438 Cb -0.16 -3.90 0.61 0.00 1.00 0.00 0.00 33.01 30.56 1qh1 s GLN 438 CO 0.06 -0.79 1.52 -1.33 -2.12 0.00 0.00 175.29 172.64 1qh1 n MET 439 N 6.90 3.47 -0.06 2.91 2.81 0.41 -2.23 117.12 131.33 1qh1 n MET 439 Ca 0.16 -2.74 -0.06 0.00 -1.81 0.00 0.00 57.70 53.25 1qh1 n MET 439 Cb 0.43 -1.78 -0.02 0.00 -0.71 0.00 0.00 33.22 31.14 1qh1 n MET 439 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1qh1 n HIS 440 N 0.64 0.00 1.53 2.03 8.25 -1.25 -4.70 115.22 121.71 1qh1 n HIS 440 Ca 0.22 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.83 1qh1 n HIS 440 Cb 0.82 -0.36 0.67 0.00 1.12 0.00 0.00 29.99 32.24 1qh1 n HIS 440 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1qh1 n SER 441 N -3.98 0.50 -1.31 0.41 3.41 -1.26 -4.89 113.62 106.51 1qh1 n SER 441 Ca -0.10 -0.76 -0.16 0.00 -0.26 0.00 0.00 58.87 57.59 1qh1 n SER 441 Cb 0.37 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1qh1 n SER 441 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1qh1 n TRP 442 N -0.83 -0.08 -3.97 7.33 5.03 -0.95 -2.22 117.44 121.75 1qh1 n TRP 442 Ca 0.17 0.00 -0.26 0.00 3.03 0.00 0.00 57.50 60.44 1qh1 n TRP 442 Cb 0.25 -2.86 -0.02 0.00 -1.03 0.00 0.00 31.31 27.65 1qh1 n TRP 442 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1qh1 n ASP 443 N -0.66 -0.66 -1.62 -0.99 -0.08 -1.16 -1.84 116.55 109.54 1qh1 n ASP 443 Ca -0.16 -1.00 -0.17 0.00 -1.51 0.00 0.00 54.79 51.95 1qh1 n ASP 443 Cb 0.54 -3.06 -0.04 0.00 2.34 0.00 0.00 41.12 40.91 1qh1 n ASP 443 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1qh1 n TYR 444 N -4.41 -0.44 0.00 -0.67 4.01 -0.94 -4.97 117.16 109.74 1qh1 n TYR 444 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1qh1 n TYR 444 Cb 0.67 -3.14 0.00 0.00 -0.31 0.00 0.00 39.34 36.55 1qh1 n TYR 444 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qh1 n SER 445 N -0.95 0.00 -0.10 7.72 2.88 -0.76 -5.12 113.62 117.28 1qh1 n SER 445 Ca -0.18 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.37 1qh1 n SER 445 Cb 0.60 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1qh1 n SER 445 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qh1 n GLY 446 N 4.66 -1.75 3.78 0.46 0.00 -1.26 -4.67 105.19 106.41 1qh1 n GLY 446 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1qh1 n GLY 446 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qh1 s PRO 447 N -1.73 2.42 -0.01 1.61 0.04 -1.06 -4.96 135.00 131.31 1qh1 s PRO 447 Ca 0.00 1.10 0.12 0.00 0.04 0.00 0.00 61.00 62.26 1qh1 s PRO 447 Cb 0.00 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 1qh1 s PRO 447 CO 0.00 -1.51 0.38 0.66 0.04 0.00 0.00 177.00 176.57 1qh1 n TYR 448 N -3.42 0.00 -1.70 0.56 4.01 -1.26 -4.30 117.16 111.04 1qh1 n TYR 448 Ca 0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.51 1qh1 n TYR 448 Cb 0.53 -0.14 0.04 0.00 -0.31 0.00 0.00 39.34 39.46 1qh1 n TYR 448 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1qh1 s HIS 449 N -2.49 2.90 0.05 -0.72 3.76 -1.26 -3.73 115.29 113.80 1qh1 s HIS 449 Ca -0.00 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 1qh1 s HIS 449 Cb 0.08 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.77 1qh1 s HIS 449 CO 0.49 -1.37 0.00 0.41 -0.85 0.00 0.00 174.74 173.43 1qh1 n GLY 450 N -1.28 -1.57 0.26 -2.22 0.00 0.09 -2.45 105.19 98.02 1qh1 n GLY 450 Ca 0.09 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 1qh1 n GLY 450 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qh1 h TYR 451 N -0.19 1.01 0.00 1.61 0.05 -1.88 -1.25 116.97 116.33 1qh1 h TYR 451 Ca -0.00 -0.22 -0.08 0.00 0.05 0.00 0.00 58.73 58.48 1qh1 h TYR 451 Cb 0.18 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1qh1 h TYR 451 CO -0.33 0.99 -0.40 -0.44 -1.05 0.00 0.00 178.16 176.93 1qh1 h ASP 452 N 0.74 0.00 0.45 3.88 3.32 -1.86 -2.98 116.42 119.96 1qh1 h ASP 452 Ca 0.12 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 1qh1 h ASP 452 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1qh1 h ASP 452 CO 0.05 0.40 -0.83 1.23 -1.72 0.00 0.00 179.24 178.37 1qh1 h GLY 453 N 1.97 0.31 1.56 2.75 0.00 -1.35 -3.24 103.07 105.07 1qh1 h GLY 453 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1qh1 h GLY 453 CO 0.05 0.44 0.16 -2.75 0.00 0.00 0.00 176.54 174.45 1qh1 h PHE 454 N 0.17 0.57 -0.54 5.60 3.57 -1.07 -0.44 116.94 124.81 1qh1 h PHE 454 Ca -0.04 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1qh1 h PHE 454 Cb 1.43 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1qh1 h PHE 454 CO 0.04 0.45 0.32 0.00 -2.23 0.00 0.00 178.31 176.89 1qh1 h ALA 455 N 1.60 0.70 -0.32 2.41 0.00 -1.60 -0.90 119.26 121.15 1qh1 h ALA 455 Ca 0.14 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1qh1 h ALA 455 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qh1 h ALA 455 CO -0.01 0.03 -0.48 0.82 0.00 0.00 0.00 179.25 179.61 1qh1 h ILE 456 N 0.63 1.28 -0.72 0.00 2.04 -1.48 -1.38 117.51 117.88 1qh1 h ILE 456 Ca 0.22 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 1qh1 h ILE 456 Cb 0.04 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1qh1 h ILE 456 CO -0.11 0.55 0.44 0.15 0.00 0.00 0.00 178.15 179.18 1qh1 h PHE 457 N 0.69 0.94 -0.17 1.37 3.57 -0.85 0.05 116.94 122.54 1qh1 h PHE 457 Ca 0.03 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1qh1 h PHE 457 Cb 1.07 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1qh1 h PHE 457 CO 0.07 0.63 -0.09 0.00 -2.23 0.00 0.00 178.31 176.69 1qh1 h ALA 458 N 1.23 0.24 -0.58 2.41 0.00 -1.05 -0.59 119.26 120.93 1qh1 h ALA 458 Ca 0.26 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1qh1 h ALA 458 Cb -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1qh1 h ALA 458 CO -0.05 0.05 0.05 -0.09 0.00 0.00 0.00 179.25 179.21 1qh1 h ARG 459 N 0.03 0.16 -0.36 0.00 2.43 -1.11 -2.17 114.38 113.36 1qh1 h ARG 459 Ca 0.04 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1qh1 h ARG 459 Cb 0.57 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1qh1 h ARG 459 CO 0.03 0.11 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.77 1qh1 h ASP 460 N 0.17 0.92 -0.30 -3.80 3.32 -0.56 -0.50 116.42 115.66 1qh1 h ASP 460 Ca 0.30 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1qh1 h ASP 460 Cb 0.46 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1qh1 h ASP 460 CO -0.45 1.19 -0.17 0.24 -1.72 0.00 0.00 179.24 178.33 1qh1 h MET 461 N 0.71 0.76 -0.25 3.56 2.86 -0.93 -2.49 114.93 119.15 1qh1 h MET 461 Ca 0.06 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1qh1 h MET 461 Cb 0.96 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1qh1 h MET 461 CO 0.09 0.88 0.02 0.22 1.06 0.00 0.00 176.91 179.18 1qh1 h ASP 462 N 0.68 0.42 -0.63 1.22 3.58 -1.34 -0.16 116.42 120.19 1qh1 h ASP 462 Ca 0.10 -0.29 0.11 0.00 0.42 0.00 0.00 57.03 57.38 1qh1 h ASP 462 Cb 0.66 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.52 1qh1 h ASP 462 CO 0.05 0.60 0.19 -0.03 -2.88 0.00 0.00 179.24 177.17 1qh1 h MET 463 N 0.22 0.33 0.15 0.28 4.05 -0.89 -1.48 114.93 117.58 1qh1 h MET 463 Ca 0.07 -0.02 -0.29 0.00 -0.28 0.00 0.00 59.70 59.18 1qh1 h MET 463 Cb 0.38 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1qh1 h MET 463 CO 0.01 0.22 -1.45 1.15 0.23 0.00 0.00 176.91 177.07 1qh1 h THR 464 N 0.34 1.07 -0.52 -0.77 2.02 -1.40 -2.98 112.91 110.67 1qh1 h THR 464 Ca 0.33 -2.47 -0.06 0.00 0.77 0.00 0.00 66.41 64.99 1qh1 h THR 464 Cb 0.47 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 1qh1 h THR 464 CO -0.37 0.76 0.10 0.25 0.37 0.00 0.00 175.52 176.62 1qh1 h LEU 465 N -0.16 0.76 -2.98 2.58 5.85 -0.94 -2.98 115.31 117.44 1qh1 h LEU 465 Ca -0.29 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1qh1 h LEU 465 Cb 1.87 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1qh1 h LEU 465 CO 0.12 0.77 0.00 0.59 -0.34 0.00 0.00 178.44 179.58 1qh1 n ASN 466 N -4.26 4.32 -4.76 1.25 3.02 -0.57 -4.95 115.26 109.31 1qh1 n ASN 466 Ca 0.04 -2.26 -0.38 0.00 -0.03 0.00 0.00 54.58 51.94 1qh1 n ASN 466 Cb 0.24 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 1qh1 n ASN 466 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qh1 s ASN 467 N -0.98 5.63 0.53 6.41 3.84 -1.12 -4.89 114.94 124.35 1qh1 s ASN 467 Ca 0.48 2.70 0.33 0.00 0.21 0.00 0.00 52.86 56.59 1qh1 s ASN 467 Cb 0.29 -2.63 1.39 0.00 -0.55 0.00 0.00 41.25 39.74 1qh1 s ASN 467 CO 0.27 -1.32 1.98 1.55 -2.79 0.00 0.00 177.10 176.78 1qh1 h PRO 468 N 1.83 0.00 0.00 0.43 0.13 -1.93 -2.93 132.00 129.53 1qh1 h PRO 468 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qh1 h PRO 468 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1qh1 h PRO 468 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1qh1 h ALA 469 N 2.03 1.00 0.00 -0.56 0.00 -1.98 -2.63 119.26 117.12 1qh1 h ALA 469 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qh1 h ALA 469 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qh1 h ALA 469 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 179.25 177.76 1qh1 h TRP 470 N 0.00 0.00 -0.11 0.00 4.06 -1.90 -1.02 115.95 116.98 1qh1 h TRP 470 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1qh1 h TRP 470 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 1qh1 h TRP 470 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1qh1 n ASN 471 N -2.54 1.00 -0.21 -3.49 3.02 -0.99 -4.21 115.26 107.84 1qh1 n ASN 471 Ca 0.02 -1.64 0.02 0.00 -0.03 0.00 0.00 54.58 52.95 1qh1 n ASN 471 Cb 0.27 -0.07 0.06 0.00 -0.61 0.00 0.00 39.78 39.42 1qh1 n ASN 471 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qh1 n GLU 472 N -0.10 2.90 0.02 3.52 -0.58 -0.39 -4.70 120.64 121.31 1qh1 n GLU 472 Ca 0.14 -1.73 -0.03 0.00 -0.42 0.00 0.00 57.16 55.12 1qh1 n GLU 472 Cb 0.22 -1.12 0.20 0.00 -0.57 0.00 0.00 31.44 30.17 1qh1 n GLU 472 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1qh1 h LEU 473 N 0.65 0.47 -9.38 -4.62 4.07 -1.73 -3.41 115.31 101.36 1qh1 h LEU 473 Ca 0.00 -0.16 -0.58 0.00 0.08 0.00 0.00 57.88 57.22 1qh1 h LEU 473 Cb 0.61 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 42.14 1qh1 h LEU 473 CO 0.00 0.73 -0.15 -0.89 -1.08 0.00 0.00 178.44 177.05 1qh1 s THR 474 N -4.48 5.16 0.60 0.22 2.01 -1.26 -5.05 115.64 112.83 1qh1 s THR 474 Ca -0.07 0.94 -0.20 0.00 0.31 0.00 0.00 61.69 62.67 1qh1 s THR 474 Cb 0.14 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1qh1 s THR 474 CO 0.79 0.36 1.32 0.00 -0.69 0.00 0.00 174.62 176.40 1qh1 s ALA 475 N 0.37 2.60 0.30 7.40 0.00 -1.26 -4.87 121.76 126.29 1qh1 s ALA 475 Ca 0.26 1.26 0.38 0.00 0.00 0.00 0.00 51.96 53.85 1qh1 s ALA 475 Cb -0.15 -3.55 1.75 0.00 0.00 0.00 0.00 23.12 21.16 1qh1 s ALA 475 CO 0.11 -1.46 2.12 -1.00 0.00 0.00 0.00 175.76 175.53 1qh1 h PRO 476 N 1.00 0.00 -0.00 0.00 0.13 -1.96 -0.31 132.00 130.86 1qh1 h PRO 476 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1qh1 h PRO 476 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1qh1 h PRO 476 CO 0.55 0.00 -0.09 -2.67 -0.23 0.00 0.00 178.00 175.56 1qh1 n TRP 477 N -3.08 0.00 0.56 1.56 2.14 -1.26 -5.29 117.44 112.06 1qh1 n TRP 477 Ca -0.01 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.63 1qh1 n TRP 477 Cb 0.22 -0.13 0.06 0.00 -0.81 0.00 0.00 31.31 30.65 1qh1 n TRP 477 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04