#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 0.45 -0.19 1.09 0.23 -1.26 -4.84 115.26 110.75 1qh1 n ASN 2 Ca 0.00 -1.37 -0.09 0.00 -0.53 0.00 0.00 54.58 52.59 1qh1 n ASN 2 Cb 0.00 -0.19 0.01 0.00 -2.08 0.00 0.00 39.78 37.52 1qh1 n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qh1 h ALA 3 N -0.36 0.71 -0.25 -2.53 0.00 -2.00 -0.84 119.26 114.00 1qh1 h ALA 3 Ca -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1qh1 h ALA 3 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1qh1 h ALA 3 CO 0.11 0.44 0.05 1.15 0.00 0.00 0.00 179.25 181.00 1qh1 h THR 4 N 0.77 0.89 -0.71 0.00 2.02 -1.91 -1.83 112.91 112.14 1qh1 h THR 4 Ca 0.16 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1qh1 h THR 4 Cb 0.38 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 1qh1 h THR 4 CO 0.01 0.03 0.35 1.23 0.37 0.00 0.00 175.52 177.50 1qh1 h GLY 5 N 0.15 1.06 0.92 2.16 0.00 -1.54 -1.23 103.07 104.59 1qh1 h GLY 5 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1qh1 h GLY 5 CO -0.15 0.06 0.11 0.83 0.00 0.00 0.00 176.54 177.39 1qh1 h GLU 6 N 0.59 0.56 -0.83 4.80 4.39 -0.54 -0.99 114.58 122.55 1qh1 h GLU 6 Ca 0.35 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1qh1 h GLU 6 Cb 0.37 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 1qh1 h GLU 6 CO -0.27 0.58 0.52 -0.09 -1.16 0.00 0.00 179.01 178.60 1qh1 h ARG 7 N 0.43 0.96 -0.17 2.33 2.43 -1.12 -0.90 114.38 118.34 1qh1 h ARG 7 Ca 0.12 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1qh1 h ARG 7 Cb 0.26 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1qh1 h ARG 7 CO -0.00 0.63 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.81 1qh1 h ASN 8 N 0.99 0.38 0.18 -3.80 2.35 -0.86 0.20 115.58 115.01 1qh1 h ASN 8 Ca 0.35 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1qh1 h ASN 8 Cb 0.10 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1qh1 h ASN 8 CO -0.15 0.73 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.85 1qh1 h LEU 9 N 0.31 0.34 -0.31 1.61 3.38 -0.68 -1.43 115.31 118.53 1qh1 h LEU 9 Ca 0.03 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 1qh1 h LEU 9 Cb 0.80 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1qh1 h LEU 9 CO 0.06 0.75 -0.56 0.00 0.09 0.00 0.00 178.44 178.78 1qh1 h ALA 10 N 1.27 0.48 -0.77 1.53 0.00 -0.84 -2.72 119.26 118.21 1qh1 h ALA 10 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1qh1 h ALA 10 Cb 0.89 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1qh1 h ALA 10 CO 0.07 0.68 0.50 1.25 0.00 0.00 0.00 179.25 181.76 1qh1 h LEU 11 N 0.64 0.90 -0.10 0.00 5.85 -0.73 -1.17 115.31 120.70 1qh1 h LEU 11 Ca 0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1qh1 h LEU 11 Cb 1.17 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1qh1 h LEU 11 CO 0.12 0.66 -0.26 0.40 -0.34 0.00 0.00 178.44 179.02 1qh1 h ILE 12 N 1.05 0.39 -0.68 4.05 2.04 -1.12 0.63 117.51 123.86 1qh1 h ILE 12 Ca 0.28 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.21 1qh1 h ILE 12 Cb -0.10 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 1qh1 h ILE 12 CO -0.06 0.00 0.38 1.56 0.00 0.00 0.00 178.15 180.03 1qh1 h GLN 13 N -0.35 0.67 -0.44 2.37 1.08 -1.18 -2.33 115.11 114.94 1qh1 h GLN 13 Ca 0.09 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1qh1 h GLN 13 Cb 0.48 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1qh1 h GLN 13 CO -0.30 0.44 -0.07 1.49 -0.95 0.00 0.00 178.83 179.44 1qh1 h GLU 14 N 0.69 0.82 -0.42 1.46 4.57 -0.58 -2.97 114.58 118.15 1qh1 h GLU 14 Ca 0.31 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1qh1 h GLU 14 Cb 0.21 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1qh1 h GLU 14 CO -0.19 0.92 0.23 0.28 -1.18 0.00 0.00 179.01 179.07 1qh1 h VAL 15 N 0.65 1.15 0.00 0.32 2.07 -0.79 -2.77 116.25 116.89 1qh1 h VAL 15 Ca 0.11 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1qh1 h VAL 15 Cb 0.60 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1qh1 h VAL 15 CO 0.04 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.96 1qh1 n LEU 16 N -4.73 0.00 0.22 2.57 4.77 -0.89 -3.60 117.00 115.35 1qh1 n LEU 16 Ca 0.01 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1qh1 n LEU 16 Cb 0.08 -0.26 0.61 0.00 -2.33 0.00 0.00 43.42 41.52 1qh1 n LEU 16 CO 0.36 -0.07 1.09 -0.33 -1.33 0.00 0.00 177.39 177.10 1qh1 h GLU 17 N 0.00 0.08 0.00 3.23 5.08 -1.33 -2.64 114.58 119.00 1qh1 h GLU 17 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1qh1 h GLU 17 Cb 0.19 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1qh1 h GLU 17 CO 0.00 0.05 -0.14 -0.24 -1.00 0.00 0.00 179.01 177.68 1qh1 h VAL 18 N 0.08 0.42 -3.85 3.13 3.04 -1.78 -3.46 116.25 113.82 1qh1 h VAL 18 Ca 0.03 -0.76 -0.50 0.00 -1.01 0.00 0.00 66.70 64.47 1qh1 h VAL 18 Cb 0.02 1.54 0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1qh1 h VAL 18 CO -0.01 0.13 0.44 -0.36 -1.01 0.00 0.00 177.57 176.77 1qh1 s PHE 19 N -3.85 3.51 0.56 3.17 0.40 -1.00 -5.00 117.98 115.77 1qh1 s PHE 19 Ca -0.01 1.70 -0.20 0.00 -0.60 0.00 0.00 56.93 57.82 1qh1 s PHE 19 Cb 0.11 -3.21 -0.06 0.00 0.51 0.00 0.00 43.02 40.37 1qh1 s PHE 19 CO 0.59 -0.50 1.03 -2.30 0.70 0.00 0.00 175.22 174.74 1qh1 n PRO 20 N 0.79 1.12 -0.34 0.24 -0.02 -1.26 -4.52 135.00 131.00 1qh1 n PRO 20 Ca 0.01 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1qh1 n PRO 20 Cb 0.47 -2.20 0.29 0.00 -0.02 0.00 0.00 33.50 32.03 1qh1 n PRO 20 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qh1 h GLU 21 N 0.85 0.71 -0.20 -0.52 4.57 -1.95 0.08 114.58 118.12 1qh1 h GLU 21 Ca -0.48 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 1qh1 h GLU 21 Cb 1.35 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1qh1 h GLU 21 CO 0.53 0.47 0.06 1.15 -1.18 0.00 0.00 179.01 180.04 1qh1 h THR 22 N 0.73 1.19 -0.09 0.32 2.02 -2.01 -2.13 112.91 112.95 1qh1 h THR 22 Ca 0.54 -0.59 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1qh1 h THR 22 Cb 0.80 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1qh1 h THR 22 CO -0.37 0.19 -0.59 0.00 0.37 0.00 0.00 175.52 175.12 1qh1 h ALA 23 N 0.88 0.84 -0.08 6.16 0.00 -1.69 -2.95 119.26 122.42 1qh1 h ALA 23 Ca 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1qh1 h ALA 23 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qh1 h ALA 23 CO -0.00 0.71 -0.03 -0.09 0.00 0.00 0.00 179.25 179.84 1qh1 h ARG 24 N 0.22 -0.02 -0.59 0.00 2.43 -0.65 0.15 114.38 115.90 1qh1 h ARG 24 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1qh1 h ARG 24 Cb 1.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1qh1 h ARG 24 CO 0.09 -0.01 0.08 0.87 -1.51 0.00 0.00 179.97 179.49 1qh1 h LYS 25 N -0.02 1.00 -0.26 0.20 1.57 -1.43 -2.07 116.57 115.56 1qh1 h LYS 25 Ca 0.04 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1qh1 h LYS 25 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1qh1 h LYS 25 CO -0.10 0.95 0.09 1.49 -0.57 0.00 0.00 179.45 181.31 1qh1 h GLU 26 N 0.90 0.40 0.00 3.15 4.22 -1.31 -3.20 114.58 118.73 1qh1 h GLU 26 Ca 0.18 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 1qh1 h GLU 26 Cb 0.45 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1qh1 h GLU 26 CO 0.01 0.45 -0.12 0.00 -2.18 0.00 0.00 179.01 177.17 1qh1 h ARG 27 N 0.26 0.00 0.00 1.92 2.47 -0.58 -2.87 114.38 115.58 1qh1 h ARG 27 Ca 0.09 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 1qh1 h ARG 27 Cb 0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1qh1 h ARG 27 CO -0.00 0.12 -0.07 -0.09 0.56 0.00 0.00 179.97 180.48 1qh1 h ARG 28 N 0.00 0.00 -0.00 0.04 9.65 -1.36 0.18 114.38 122.88 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 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1qh1 h ARG 28 CO 0.02 0.07 -0.09 1.63 2.80 0.00 0.00 179.97 184.40 1qh1 n LYS 29 N -3.59 0.23 -0.53 0.20 5.02 -1.08 -3.42 118.16 114.98 1qh1 n LYS 29 Ca -0.02 -0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.29 1qh1 n LYS 29 Cb 0.19 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 33.98 1qh1 n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1qh1 n HIS 30 N -1.35 1.26 -3.75 2.13 8.25 0.62 -0.62 115.22 121.77 1qh1 n HIS 30 Ca 0.10 -0.47 -0.13 0.00 -0.26 0.00 0.00 57.72 56.95 1qh1 n HIS 30 Cb 0.30 -0.27 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.96 0.58 0.33 -0.41 0.23 -1.22 -1.28 119.30 115.57 1qh1 s MET 31 Ca 0.39 0.11 -0.14 0.00 -1.03 0.00 0.00 55.69 55.02 1qh1 s MET 31 Cb 0.27 0.27 0.03 0.00 -1.53 0.00 0.00 34.83 33.86 1qh1 s MET 31 CO 0.16 -0.13 0.66 0.00 -2.03 0.00 0.00 175.02 173.67 1qh1 s MET 32 N -0.70 1.94 -0.04 3.16 0.00 -0.42 -4.89 119.30 118.35 1qh1 s MET 32 Ca -0.08 -1.35 0.06 0.00 0.00 0.00 0.00 55.69 54.32 1qh1 s MET 32 Cb -0.04 0.56 -0.02 0.00 0.00 0.00 0.00 34.83 35.33 1qh1 s MET 32 CO 0.03 -0.87 -0.20 0.14 0.00 0.00 0.00 175.02 174.12 1qh1 s VAL 33 N -3.17 2.59 0.53 5.16 -7.23 -1.26 -1.56 120.40 115.46 1qh1 s VAL 33 Ca 0.18 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.31 1qh1 s VAL 33 Cb -0.04 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 1qh1 s VAL 33 CO 0.11 0.59 0.96 -0.94 -0.31 0.00 0.00 175.10 175.51 1qh1 s SER 34 N -0.65 6.50 -0.10 4.85 1.04 -0.22 -4.85 113.70 120.27 1qh1 s SER 34 Ca 0.10 1.46 0.02 0.00 0.48 0.00 0.00 55.95 58.01 1qh1 s SER 34 Cb -0.10 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1qh1 s SER 34 CO -0.00 -0.63 -0.14 -0.62 0.98 0.00 0.00 173.24 172.83 1qh1 s ASP 35 N -3.39 2.25 0.57 7.02 -1.08 -1.26 -0.60 116.67 120.18 1qh1 s ASP 35 Ca 0.57 -0.38 0.35 0.00 -0.52 0.00 0.00 52.55 52.57 1qh1 s ASP 35 Cb -0.10 -1.00 1.60 0.00 -1.46 0.00 0.00 42.92 41.97 1qh1 s ASP 35 CO 0.37 0.00 2.08 1.55 0.52 0.00 0.00 175.17 179.69 1qh1 h PRO 36 N 7.40 0.00 0.00 4.34 0.13 -1.89 -1.02 132.00 140.95 1qh1 h PRO 36 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1qh1 h PRO 36 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qh1 h PRO 36 CO 0.48 0.02 -0.62 1.63 -0.23 0.00 0.00 178.00 179.28 1qh1 n LYS 37 N -3.15 0.02 -2.79 0.86 4.01 -1.26 -4.85 118.16 110.99 1qh1 n LYS 37 Ca -0.00 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.42 1qh1 n LYS 37 Cb 0.25 -1.51 -0.06 0.00 -0.51 0.00 0.00 35.03 33.20 1qh1 n LYS 37 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1qh1 s MET 38 N -3.01 4.67 -0.01 1.97 0.00 -0.39 -4.95 119.30 117.58 1qh1 s MET 38 Ca 0.10 1.36 0.12 0.00 0.00 0.00 0.00 55.69 57.28 1qh1 s MET 38 Cb 0.17 -2.99 -0.18 0.00 0.00 0.00 0.00 34.83 31.83 1qh1 s MET 38 CO 0.74 0.38 0.30 0.36 0.00 0.00 0.00 175.02 176.80 1qh1 n LYS 39 N 0.93 0.71 -3.73 4.11 0.00 -1.26 -4.74 118.16 114.17 1qh1 n LYS 39 Ca 0.00 -0.10 -0.14 0.00 -0.00 0.00 0.00 58.31 58.07 1qh1 n LYS 39 Cb 0.49 -1.26 -0.08 0.00 -0.00 0.00 0.00 35.03 34.17 1qh1 n LYS 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1qh1 s SER 40 N -3.26 -0.25 0.20 -5.58 1.04 -1.26 -4.88 113.70 99.71 1qh1 s SER 40 Ca -0.03 0.16 0.09 0.00 0.48 0.00 0.00 55.95 56.65 1qh1 s SER 40 Cb 0.08 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1qh1 s SER 40 CO 0.51 -0.47 1.44 -0.37 0.98 0.00 0.00 173.24 175.33 1qh1 h VAL 41 N 3.75 1.53 0.00 5.02 -1.51 -1.89 -3.48 116.25 119.67 1qh1 h VAL 41 Ca -0.29 -2.77 0.00 0.00 -1.23 0.00 0.00 66.70 62.41 1qh1 h VAL 41 Cb 1.17 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 1qh1 h VAL 41 CO 0.40 0.78 0.00 0.61 -1.23 0.00 0.00 177.57 178.13 1qh1 n GLY 42 N 0.86 2.35 1.18 5.19 0.00 -1.26 -1.23 105.19 112.28 1qh1 n GLY 42 Ca -0.00 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1qh1 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qh1 n LYS 43 N 5.20 3.13 0.24 1.61 4.01 -1.26 -4.56 118.16 126.52 1qh1 n LYS 43 Ca 0.00 -2.58 0.15 0.00 -0.51 0.00 0.00 58.31 55.36 1qh1 n LYS 43 Cb 0.00 -1.62 0.45 0.00 -0.51 0.00 0.00 35.03 33.35 1qh1 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qh1 s ILE 45 N -3.43 0.06 0.09 0.00 2.07 -1.26 -4.61 121.20 114.12 1qh1 s ILE 45 Ca 0.04 -0.51 0.06 0.00 -1.41 0.00 0.00 60.65 58.84 1qh1 s ILE 45 Cb 0.07 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 1qh1 s ILE 45 CO 0.59 -0.28 -0.17 0.27 -1.91 0.00 0.00 174.94 173.45 1qh1 s ILE 46 N -1.95 1.38 0.36 2.00 -4.36 0.21 -4.88 121.20 113.95 1qh1 s ILE 46 Ca -0.09 -1.46 -0.07 0.00 -0.26 0.00 0.00 60.65 58.77 1qh1 s ILE 46 Cb -0.03 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.38 1qh1 s ILE 46 CO 0.01 -0.20 0.59 -0.94 0.24 0.00 0.00 174.94 174.65 1qh1 s SER 47 N -1.93 0.62 -1.45 4.36 1.04 -1.26 -4.49 113.70 110.59 1qh1 s SER 47 Ca 0.03 -1.38 -0.09 0.00 0.48 0.00 0.00 55.95 54.99 1qh1 s SER 47 Cb -0.09 0.74 0.05 0.00 0.10 0.00 0.00 66.02 66.82 1qh1 s SER 47 CO 0.03 -1.45 0.91 -3.20 0.98 0.00 0.00 173.24 170.51 1qh1 n ASN 48 N -1.45 -3.78 -4.72 7.02 5.15 -1.22 -4.82 115.26 111.44 1qh1 n ASN 48 Ca -0.02 -0.77 -0.24 0.00 -0.60 0.00 0.00 54.58 52.94 1qh1 n ASN 48 Cb 0.61 -4.02 -0.07 0.00 -0.53 0.00 0.00 39.78 35.76 1qh1 n ASN 48 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1qh1 s ARG 49 N -6.40 2.25 0.64 1.20 0.52 -1.26 -5.00 118.95 110.91 1qh1 s ARG 49 Ca 0.45 -1.70 -0.18 0.00 -0.52 0.00 0.00 55.73 53.78 1qh1 s ARG 49 Cb -0.22 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 1qh1 s ARG 49 CO 0.82 0.03 1.20 1.17 0.02 0.00 0.00 175.30 178.53 1qh1 n LYS 50 N -1.15 1.02 -2.22 3.54 0.00 -1.26 -4.93 118.16 113.15 1qh1 n LYS 50 Ca -0.02 0.40 -0.33 0.00 0.00 0.00 0.00 58.31 58.36 1qh1 n LYS 50 Cb 0.63 -2.43 -0.01 0.00 0.00 0.00 0.00 35.03 33.22 1qh1 n LYS 50 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1qh1 s SER 51 N -1.37 6.06 0.10 3.14 0.01 -1.26 -5.00 113.70 115.38 1qh1 s SER 51 Ca 0.81 1.80 -0.31 0.00 1.31 0.00 0.00 55.95 59.55 1qh1 s SER 51 Cb -0.39 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.24 1qh1 s SER 51 CO 0.42 -0.97 1.36 -1.10 0.41 0.00 0.00 173.24 173.36 1qh1 s GLN 52 N -3.89 4.33 0.27 12.44 -1.52 -1.26 -4.96 119.66 125.08 1qh1 s GLN 52 Ca 0.64 2.03 -0.30 0.00 -1.95 0.00 0.00 55.36 55.77 1qh1 s GLN 52 Cb -0.15 -3.28 -0.13 0.00 -0.22 0.00 0.00 33.01 29.23 1qh1 s GLN 52 CO 0.32 -0.42 1.39 -2.30 -0.25 0.00 0.00 175.29 174.03 1qh1 n PRO 53 N 4.03 2.12 -0.99 2.91 -0.02 -1.26 -3.44 135.00 138.34 1qh1 n PRO 53 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1qh1 n PRO 53 Cb 0.43 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1qh1 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qh1 n GLY 54 N 1.77 0.57 0.35 -1.23 0.00 -1.26 -4.90 105.19 100.49 1qh1 n GLY 54 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.75 0.00 -2.53 1.61 0.24 -1.22 -4.97 118.33 108.71 1qh1 n VAL 55 Ca 0.00 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.34 62.05 1qh1 n VAL 55 Cb 0.02 0.96 0.03 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.42 -2.44 -1.30 7.34 1.56 -1.26 -3.70 117.12 116.90 1qh1 n MET 56 Ca 0.09 0.33 -0.35 0.00 -0.27 0.00 0.00 57.70 57.50 1qh1 n MET 56 Cb 0.42 -3.76 0.10 0.00 2.15 0.00 0.00 33.22 32.13 1qh1 n MET 56 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1qh1 n THR 57 N -2.20 2.76 0.21 1.12 5.66 -1.26 -1.88 114.28 118.68 1qh1 n THR 57 Ca -0.11 -0.32 0.10 0.00 -3.05 0.00 0.00 64.05 60.68 1qh1 n THR 57 Cb 0.56 -1.19 0.14 0.00 -1.55 0.00 0.00 70.33 68.30 1qh1 n THR 57 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1qh1 h VAL 58 N -0.43 0.15 -4.17 1.08 2.07 -1.94 -3.47 116.25 109.54 1qh1 h VAL 58 Ca -0.47 -1.22 -0.54 0.00 0.82 0.00 0.00 66.70 65.29 1qh1 h VAL 58 Cb 1.32 2.07 0.17 0.00 -1.52 0.00 0.00 31.29 33.33 1qh1 h VAL 58 CO 0.47 0.09 0.40 -0.13 0.02 0.00 0.00 177.57 178.42 1qh1 s ARG 59 N -3.17 1.99 0.00 1.57 0.52 -1.26 -5.07 118.95 113.53 1qh1 s ARG 59 Ca 0.06 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.11 1qh1 s ARG 59 Cb 0.05 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1qh1 s ARG 59 CO 0.68 -1.97 0.00 0.41 0.02 0.00 0.00 175.30 174.44 1qh1 n GLY 60 N 0.57 2.80 3.67 -3.53 0.00 -1.26 -5.01 105.19 102.43 1qh1 n GLY 60 Ca 0.14 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 1.55 1.28 -0.28 0.00 0.00 -1.68 -1.75 119.26 118.38 1qh1 h ALA 62 Ca -0.42 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 1qh1 h ALA 62 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1qh1 h ALA 62 CO 0.71 0.20 -0.32 -0.92 0.00 0.00 0.00 179.25 178.92 1qh1 h TYR 63 N 0.00 0.69 -0.75 0.00 5.03 -1.60 -0.86 116.97 119.47 1qh1 h TYR 63 Ca -0.00 -0.17 -0.03 0.00 2.58 0.00 0.00 58.73 61.11 1qh1 h TYR 63 Cb 0.42 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 1qh1 h TYR 63 CO 0.00 0.84 0.35 0.00 -1.32 0.00 0.00 178.16 178.04 1qh1 h ALA 64 N 1.15 1.21 -0.16 1.82 0.00 -1.66 0.16 119.26 121.78 1qh1 h ALA 64 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1qh1 h ALA 64 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qh1 h ALA 64 CO 0.07 0.60 -0.58 0.78 0.00 0.00 0.00 179.25 180.11 1qh1 h GLY 65 N 1.11 0.57 0.00 0.00 0.00 -1.06 0.08 103.07 103.78 1qh1 h GLY 65 Ca 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1qh1 h GLY 65 CO -0.03 0.62 -0.28 0.23 0.00 0.00 0.00 176.54 177.08 1qh1 h SER 66 N 0.40 0.00 0.11 0.19 0.87 -0.90 -2.80 113.55 111.41 1qh1 h SER 66 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1qh1 h SER 66 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1qh1 h SER 66 CO 0.11 0.59 -0.05 0.50 -0.53 0.00 0.00 176.83 177.45 1qh1 h LYS 67 N -0.91 -0.14 -0.14 2.24 3.11 -0.85 0.16 116.57 120.04 1qh1 h LYS 67 Ca 0.00 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.75 1qh1 h LYS 67 Cb 0.28 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1qh1 h LYS 67 CO 0.00 0.34 -0.36 0.78 -2.81 0.00 0.00 179.45 177.39 1qh1 h GLY 68 N -0.71 0.32 0.00 5.01 0.00 -0.94 0.77 103.07 107.52 1qh1 h GLY 68 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1qh1 h GLY 68 CO 0.02 0.26 -0.62 -0.62 0.00 0.00 0.00 176.54 175.58 1qh1 n VAL 69 N -4.06 1.35 -0.05 4.60 0.31 -0.08 -4.70 118.33 115.69 1qh1 n VAL 69 Ca -0.01 0.24 -0.15 0.00 -0.01 0.00 0.00 64.34 64.41 1qh1 n VAL 69 Cb 0.45 -2.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 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 -0.62 1.76 0.14 2.52 2.07 -1.17 -3.41 116.25 117.54 1qh1 h VAL 70 Ca 0.00 -2.37 -0.36 0.00 0.82 0.00 0.00 66.70 64.79 1qh1 h VAL 70 Cb 0.62 3.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 1qh1 h VAL 70 CO 0.00 0.62 -1.90 -0.26 0.02 0.00 0.00 177.57 176.05 1qh1 h PHE 71 N -0.91 0.55 -0.97 1.57 0.04 -1.12 -3.39 116.94 112.70 1qh1 h PHE 71 Ca -0.02 -0.40 0.30 0.00 2.80 0.00 0.00 57.97 60.64 1qh1 h PHE 71 Cb 1.08 -0.02 -0.15 0.00 2.20 0.00 0.00 35.95 39.07 1qh1 h PHE 71 CO 0.27 1.73 0.49 0.78 -0.60 0.00 0.00 178.31 180.97 1qh1 h GLY 72 N 1.03 1.89 2.00 -1.45 0.00 -1.00 -0.36 103.07 105.17 1qh1 h GLY 72 Ca -0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1qh1 h GLY 72 CO 0.12 -0.45 -0.15 -2.55 0.00 0.00 0.00 176.54 173.51 1qh1 h PRO 73 N 0.31 0.00 -6.17 4.80 0.11 -1.79 -3.44 132.00 125.82 1qh1 h PRO 73 Ca 0.69 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 66.22 1qh1 h PRO 73 Cb 1.51 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.60 1qh1 h PRO 73 CO -0.62 0.15 1.35 0.42 -0.21 0.00 0.00 178.00 179.10 1qh1 s ILE 74 N -4.02 3.32 0.15 4.15 1.01 -0.15 -4.19 121.20 121.47 1qh1 s ILE 74 Ca -0.02 0.32 0.14 0.00 0.00 0.00 0.00 60.65 61.09 1qh1 s ILE 74 Cb 0.12 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 39.19 1qh1 s ILE 74 CO 0.60 -0.28 1.60 0.07 0.00 0.00 0.00 174.94 176.93 1qh1 h LYS 75 N 13.68 0.00 -0.61 2.79 2.10 -1.43 -3.26 116.57 129.84 1qh1 h LYS 75 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1qh1 h LYS 75 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1qh1 h LYS 75 CO 1.01 0.55 0.00 -0.40 -2.00 0.00 0.00 179.45 178.61 1qh1 n ASP 76 N -3.55 3.62 -4.37 7.07 5.75 -1.26 -1.61 116.55 122.20 1qh1 n ASP 76 Ca -0.00 -2.20 -0.27 0.00 -0.01 0.00 0.00 54.79 52.31 1qh1 n ASP 76 Cb 0.63 -0.47 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 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 -1.53 1.35 -0.19 0.11 -1.94 -1.23 -0.33 119.30 115.54 1qh1 s MET 77 Ca 0.41 -1.36 -0.15 0.00 -1.71 0.00 0.00 55.69 52.88 1qh1 s MET 77 Cb 0.24 -1.71 -0.04 0.00 2.01 0.00 0.00 34.83 35.33 1qh1 s MET 77 CO 0.23 0.39 0.33 0.00 -0.01 0.00 0.00 175.02 175.97 1qh1 s ALA 78 N -1.34 3.57 -0.27 3.03 0.00 -0.82 -4.55 121.76 121.37 1qh1 s ALA 78 Ca 0.14 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1qh1 s ALA 78 Cb -0.09 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1qh1 s ALA 78 CO 0.07 -0.14 0.10 -1.01 0.00 0.00 0.00 175.76 174.77 1qh1 s HIS 79 N 0.96 3.12 -0.30 0.00 3.76 -1.26 -0.83 115.29 120.74 1qh1 s HIS 79 Ca 0.17 -0.50 -0.16 0.00 -0.15 0.00 0.00 55.06 54.41 1qh1 s HIS 79 Cb -0.14 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1qh1 s HIS 79 CO 0.06 -0.40 0.44 0.42 -0.85 0.00 0.00 174.74 174.41 1qh1 s ILE 80 N 1.61 5.10 -0.56 0.60 1.01 -0.10 -4.28 121.20 124.57 1qh1 s ILE 80 Ca 0.06 0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 1qh1 s ILE 80 Cb -0.16 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1qh1 s ILE 80 CO 0.04 -0.00 1.22 -0.44 0.00 0.00 0.00 174.94 175.76 1qh1 s SER 81 N 1.67 6.42 -0.36 3.58 0.01 0.11 -0.25 113.70 124.88 1qh1 s SER 81 Ca 0.17 0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.50 1qh1 s SER 81 Cb -0.16 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1qh1 s SER 81 CO 0.11 -1.49 0.23 -2.28 0.41 0.00 0.00 173.24 170.23 1qh1 s HIS 82 N 5.06 3.23 -5.00 2.43 2.46 -0.39 -2.67 115.29 120.40 1qh1 s HIS 82 Ca 0.45 -0.58 0.00 0.00 0.47 0.00 0.00 55.06 55.41 1qh1 s HIS 82 Cb -0.08 -2.47 0.00 0.00 -0.13 0.00 0.00 32.58 29.90 1qh1 s HIS 82 CO 0.26 -0.52 0.00 0.41 -2.47 0.00 0.00 174.74 172.43 1qh1 n GLY 83 N 5.07 0.54 3.66 1.59 0.00 -1.26 -1.19 105.19 113.60 1qh1 n GLY 83 Ca -0.12 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.31 0.49 1.61 0.02 -1.26 -0.83 135.00 132.72 1qh1 s PRO 84 Ca 0.00 0.15 0.28 0.00 0.02 0.00 0.00 61.00 61.45 1qh1 s PRO 84 Cb 0.00 -1.68 0.86 0.00 0.02 0.00 0.00 34.50 33.70 1qh1 s PRO 84 CO 0.00 -3.15 1.80 -0.24 -0.33 0.00 0.00 177.00 175.08 1qh1 h VAL 85 N -2.18 0.05 0.78 3.83 3.04 -1.89 -3.38 116.25 116.50 1qh1 h VAL 85 Ca -0.49 -0.80 -0.04 0.00 -1.01 0.00 0.00 66.70 64.36 1qh1 h VAL 85 Cb 1.31 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.36 1qh1 h VAL 85 CO 0.46 0.02 -0.41 1.23 -1.01 0.00 0.00 177.57 177.86 1qh1 h GLY 86 N 2.94 -1.19 -0.41 3.17 0.00 -1.99 -2.84 103.07 102.75 1qh1 h GLY 86 Ca -0.00 0.46 0.13 0.00 0.00 0.00 0.00 47.33 47.92 1qh1 h GLY 86 CO 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 176.54 175.90 1qh1 h GLY 88 N -0.05 0.20 0.79 0.00 0.00 -1.82 -2.29 103.07 99.91 1qh1 h GLY 88 Ca 0.31 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 1qh1 h GLY 88 CO -0.71 0.18 -0.47 -1.61 0.00 0.00 0.00 176.54 173.93 1qh1 h GLN 89 N 0.15 0.44 -0.05 4.80 5.75 -0.75 -2.17 115.11 123.27 1qh1 h GLN 89 Ca 0.01 -0.38 -0.07 0.00 -0.15 0.00 0.00 58.65 58.06 1qh1 h GLN 89 Cb 0.88 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1qh1 h GLN 89 CO 0.07 1.02 -0.28 1.88 -2.65 0.00 0.00 178.83 178.87 1qh1 h TYR 90 N -0.02 0.09 -0.54 3.99 0.05 -0.78 -2.24 116.97 117.53 1qh1 h TYR 90 Ca -0.04 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1qh1 h TYR 90 Cb 1.13 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1qh1 h TYR 90 CO 0.13 0.36 0.00 -1.13 -1.05 0.00 0.00 178.16 176.47 1qh1 n SER 91 N -4.18 4.24 -4.62 3.88 3.41 -0.86 -4.74 113.62 110.74 1qh1 n SER 91 Ca -0.02 -2.44 -0.43 0.00 -0.26 0.00 0.00 58.87 55.72 1qh1 n SER 91 Cb 0.35 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.91 3.92 -1.49 4.33 3.52 -0.82 -3.97 118.95 122.52 1qh1 s ARG 92 Ca 0.44 0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 56.83 1qh1 s ARG 92 Cb 0.29 -3.80 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1qh1 s ARG 92 CO 0.20 -1.07 0.26 0.00 -0.81 0.00 0.00 175.30 173.88 1qh1 n ALA 93 N 7.17 -0.83 0.09 6.12 0.00 -1.26 -4.88 120.51 126.92 1qh1 n ALA 93 Ca 0.11 0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 1qh1 n ALA 93 Cb 0.48 -2.67 -0.15 0.00 0.00 0.00 0.00 19.45 17.12 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 -0.57 0.37 -5.89 0.00 0.00 -1.86 -3.45 103.07 91.68 1qh1 h GLY 94 Ca -0.46 -0.96 -0.59 0.00 0.00 0.00 0.00 47.33 45.33 1qh1 h GLY 94 CO 0.52 0.84 -0.30 -1.60 0.00 0.00 0.00 176.54 176.00 1qh1 s ARG 95 N -2.62 4.27 -0.00 4.80 3.52 -1.26 -5.00 118.95 122.66 1qh1 s ARG 95 Ca -0.09 0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.60 1qh1 s ARG 95 Cb 0.06 -3.43 -0.23 0.00 -1.56 0.00 0.00 34.95 29.79 1qh1 s ARG 95 CO 0.88 0.21 3.37 0.54 -0.81 0.00 0.00 175.30 179.50 1qh1 n ARG 96 N 3.64 1.85 -2.49 5.12 1.74 -1.26 -4.83 116.66 120.43 1qh1 n ARG 96 Ca -0.11 -0.85 -0.39 0.00 -0.77 0.00 0.00 57.85 55.72 1qh1 n ARG 96 Cb 0.52 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.99 6.34 0.48 0.55 6.03 -1.26 -1.88 114.94 127.20 1qh1 s ASN 97 Ca 0.57 -1.50 -0.24 0.00 -1.03 0.00 0.00 52.86 50.66 1qh1 s ASN 97 Cb 0.27 -2.57 -0.07 0.00 -3.03 0.00 0.00 41.25 35.85 1qh1 s ASN 97 CO -0.00 -1.65 1.40 -1.22 -2.03 0.00 0.00 177.10 173.59 1qh1 n TYR 98 N 9.58 2.53 -3.72 1.54 4.02 -0.59 -4.70 117.16 125.83 1qh1 n TYR 98 Ca 0.36 0.44 -0.10 0.00 -0.01 0.00 0.00 57.90 58.59 1qh1 n TYR 98 Cb 0.50 -2.42 -0.05 0.00 -0.02 0.00 0.00 39.34 37.34 1qh1 n TYR 98 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1qh1 s TYR 99 N -1.22 -0.07 0.13 -0.72 1.13 -1.26 -2.62 117.35 112.71 1qh1 s TYR 99 Ca 0.65 -0.29 0.05 0.00 -1.41 0.00 0.00 57.07 56.07 1qh1 s TYR 99 Cb -0.44 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.53 1qh1 s TYR 99 CO 0.55 -0.65 0.05 0.95 -2.51 0.00 0.00 175.55 173.94 1qh1 s THR 100 N -3.83 4.19 -5.00 -3.49 -4.23 -1.26 -5.06 115.64 96.96 1qh1 s THR 100 Ca 0.04 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1qh1 s THR 100 Cb 0.03 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1qh1 s THR 100 CO -0.11 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1qh1 n GLY 101 N 0.14 -2.17 3.15 3.99 0.00 -1.26 -4.99 105.19 104.06 1qh1 n GLY 101 Ca -0.09 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.37 3.55 0.08 1.61 1.01 -1.26 -4.98 120.40 118.04 1qh1 s VAL 102 Ca 0.00 -1.94 -0.34 0.00 0.00 0.00 0.00 61.98 59.70 1qh1 s VAL 102 Cb 0.00 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 1qh1 s VAL 102 CO 0.00 -0.68 1.67 -0.24 0.00 0.00 0.00 175.10 175.84 1qh1 n SER 103 N 4.69 3.17 0.00 3.32 2.88 -1.26 -1.35 113.62 125.06 1qh1 n SER 103 Ca -0.04 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1qh1 n SER 103 Cb 0.41 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 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 3.70 1.10 1.25 0.46 0.00 0.26 -4.81 105.19 107.16 1qh1 n GLY 104 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.54 0.08 1.61 0.31 -0.46 -4.90 118.33 113.50 1qh1 n VAL 105 Ca 0.00 0.18 0.01 0.00 -0.01 0.00 0.00 64.34 64.52 1qh1 n VAL 105 Cb 0.00 -1.09 0.01 0.00 -0.91 0.00 0.00 33.84 31.85 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 -3.06 1.27 -3.72 4.52 5.75 -0.80 -4.36 116.55 116.16 1qh1 n ASP 106 Ca 0.00 -1.18 -0.12 0.00 -0.01 0.00 0.00 54.79 53.48 1qh1 n ASP 106 Cb 0.00 -0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 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 -0.26 -0.46 -0.01 -1.12 1.04 -1.17 -4.45 113.70 107.26 1qh1 s SER 107 Ca 0.03 0.86 0.02 0.00 0.48 0.00 0.00 55.95 57.34 1qh1 s SER 107 Cb 0.02 0.83 0.03 0.00 0.10 0.00 0.00 66.02 67.00 1qh1 s SER 107 CO 0.03 -0.16 0.84 0.49 0.98 0.00 0.00 173.24 175.42 1qh1 n PHE 108 N 3.30 0.00 0.48 5.02 3.72 -0.64 -0.57 117.46 128.78 1qh1 n PHE 108 Ca -0.16 -0.34 0.11 0.00 -0.05 0.00 0.00 57.45 57.00 1qh1 n PHE 108 Cb 0.57 -0.04 0.44 0.00 -0.94 0.00 0.00 39.48 39.51 1qh1 n PHE 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qh1 n GLY 109 N -0.39 -1.28 0.64 1.37 0.00 -1.26 -1.81 105.19 102.46 1qh1 n GLY 109 Ca 0.01 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1qh1 n GLY 109 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qh1 n THR 110 N -2.02 0.00 -3.19 2.61 -2.24 -1.26 -4.64 114.28 103.53 1qh1 n THR 110 Ca 0.03 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 1qh1 n THR 110 Cb 0.25 1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 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 -2.16 4.12 -0.42 3.22 1.02 -0.75 -4.79 118.68 118.91 1qh1 s LEU 111 Ca 0.21 1.22 -0.04 0.00 0.02 0.00 0.00 54.13 55.53 1qh1 s LEU 111 Cb 0.18 -3.93 0.11 0.00 0.02 0.00 0.00 46.19 42.56 1qh1 s LEU 111 CO 0.43 -0.15 0.23 0.21 0.02 0.00 0.00 176.35 177.09 1qh1 s ASN 112 N -2.21 5.35 -0.09 2.29 3.04 -1.26 -4.98 114.94 117.07 1qh1 s ASN 112 Ca 0.51 -1.98 -0.20 0.00 0.04 0.00 0.00 52.86 51.23 1qh1 s ASN 112 Cb -0.11 -1.87 -0.04 0.00 -1.54 0.00 0.00 41.25 37.69 1qh1 s ASN 112 CO 0.18 -0.57 0.56 -0.36 -3.04 0.00 0.00 177.10 173.87 1qh1 s PHE 113 N 1.19 3.54 0.04 0.43 0.08 -1.26 -5.04 117.98 116.97 1qh1 s PHE 113 Ca 0.07 1.02 -0.14 0.00 0.12 0.00 0.00 56.93 58.00 1qh1 s PHE 113 Cb -0.23 -2.64 0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1qh1 s PHE 113 CO -0.03 0.15 0.32 -0.08 -0.10 0.00 0.00 175.22 175.48 1qh1 s THR 114 N 0.63 0.08 -2.19 0.64 -1.32 -1.26 -0.71 115.64 111.50 1qh1 s THR 114 Ca 0.30 -0.64 0.19 0.00 -1.21 0.00 0.00 61.69 60.33 1qh1 s THR 114 Cb -0.16 -0.94 0.45 0.00 -1.51 0.00 0.00 72.50 70.34 1qh1 s THR 114 CO 0.13 -0.35 1.43 -1.54 -2.21 0.00 0.00 174.62 172.08 1qh1 n SER 115 N 0.56 2.66 -3.64 8.08 3.41 -1.09 -4.96 113.62 118.64 1qh1 n SER 115 Ca -0.19 -1.92 -0.22 0.00 -0.26 0.00 0.00 58.87 56.28 1qh1 n SER 115 Cb 0.59 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.96 -2.64 -4.68 4.04 2.03 -1.11 -4.75 116.55 110.38 1qh1 n ASP 116 Ca 0.18 -0.70 -0.44 0.00 0.52 0.00 0.00 54.79 54.35 1qh1 n ASP 116 Cb 0.45 -0.95 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 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 -2.67 2.21 -4.48 -0.67 3.01 -0.01 -4.85 117.46 110.00 1qh1 n PHE 117 Ca -0.13 0.47 -0.31 0.00 1.01 0.00 0.00 57.45 58.50 1qh1 n PHE 117 Cb 0.37 -2.45 -0.06 0.00 -0.01 0.00 0.00 39.48 37.34 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 -0.95 2.21 0.33 -1.08 -1.52 -1.26 -4.55 119.66 112.83 1qh1 s GLN 118 Ca 0.63 -2.26 0.01 0.00 -1.95 0.00 0.00 55.36 51.79 1qh1 s GLN 118 Cb -0.61 -1.71 0.57 0.00 -0.22 0.00 0.00 33.01 31.03 1qh1 s GLN 118 CO 0.54 -0.42 1.97 1.49 -0.25 0.00 0.00 175.29 178.62 1qh1 h GLU 119 N 1.19 0.85 0.00 2.91 4.81 -2.00 -1.54 114.58 120.80 1qh1 h GLU 119 Ca -0.42 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1qh1 h GLU 119 Cb 1.31 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1qh1 h GLU 119 CO 0.69 0.61 -0.18 0.07 -0.73 0.00 0.00 179.01 179.47 1qh1 h ARG 120 N 0.87 0.00 -0.24 1.92 0.11 -1.99 -0.52 114.38 114.53 1qh1 h ARG 120 Ca 0.23 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.19 1qh1 h ARG 120 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1qh1 h ARG 120 CO -0.04 0.18 -0.33 -0.44 0.10 0.00 0.00 179.97 179.44 1qh1 h ASP 121 N 0.00 0.52 -0.22 0.08 3.32 -1.56 -0.62 116.42 117.94 1qh1 h ASP 121 Ca -0.00 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 1qh1 h ASP 121 Cb 0.35 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1qh1 h ASP 121 CO 0.02 0.82 -0.54 0.40 -1.72 0.00 0.00 179.24 178.22 1qh1 h ILE 122 N 0.43 1.30 0.00 0.35 1.08 -1.14 0.31 117.51 119.84 1qh1 h ILE 122 Ca 0.05 -1.76 -0.16 0.00 -0.39 0.00 0.00 64.86 62.60 1qh1 h ILE 122 Cb 0.79 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 36.34 1qh1 h ILE 122 CO 0.06 0.56 -0.77 1.62 -0.69 0.00 0.00 178.15 178.93 1qh1 h VAL 123 N 0.48 1.33 0.00 1.67 3.04 -0.96 -3.34 116.25 118.48 1qh1 h VAL 123 Ca -0.01 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 62.84 1qh1 h VAL 123 Cb 1.16 2.64 0.00 0.00 -2.01 0.00 0.00 31.29 33.08 1qh1 h VAL 123 CO 0.12 0.75 -0.51 0.49 -1.01 0.00 0.00 177.57 177.41 1qh1 n PHE 124 N -3.31 0.00 0.00 3.17 3.72 -0.26 -5.09 117.46 115.69 1qh1 n PHE 124 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1qh1 n PHE 124 Cb 0.84 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 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 1.27 1.68 1.09 1.37 0.00 0.11 -4.91 105.19 105.80 1qh1 n GLY 125 Ca 0.02 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 1.62 1.62 0.22 -0.02 0.00 -1.23 -4.67 105.19 102.73 1qh1 n GLY 126 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 4.30 0.66 -0.69 1.61 3.32 -1.93 -0.49 116.42 123.20 1qh1 h ASP 127 Ca 0.00 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1qh1 h ASP 127 Cb 0.96 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1qh1 h ASP 127 CO 0.00 1.05 0.22 0.11 -1.72 0.00 0.00 179.24 178.90 1qh1 h LYS 128 N 0.47 1.06 -0.71 3.56 1.57 -1.96 -1.48 116.57 119.08 1qh1 h LYS 128 Ca 0.02 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1qh1 h LYS 128 Cb 1.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1qh1 h LYS 128 CO 0.10 0.92 0.28 -0.22 -0.57 0.00 0.00 179.45 179.95 1qh1 h LYS 129 N 1.00 1.07 -0.43 3.15 3.64 -1.80 -1.93 116.57 121.28 1qh1 h LYS 129 Ca 0.22 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1qh1 h LYS 129 Cb 0.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1qh1 h LYS 129 CO -0.01 0.89 0.24 1.25 -2.27 0.00 0.00 179.45 179.55 1qh1 h LEU 130 N 1.02 0.53 -0.52 5.20 5.85 -0.88 0.16 115.31 126.67 1qh1 h LEU 130 Ca 0.24 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1qh1 h LEU 130 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1qh1 h LEU 130 CO -0.02 0.45 0.32 -1.28 -0.34 0.00 0.00 178.44 177.57 1qh1 h SER 131 N 0.56 0.63 -0.44 1.25 0.87 -1.05 -1.51 113.55 113.86 1qh1 h SER 131 Ca 0.15 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1qh1 h SER 131 Cb 0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1qh1 h SER 131 CO -0.03 0.50 -0.07 0.50 -0.53 0.00 0.00 176.83 177.20 1qh1 h LYS 132 N 0.70 0.89 0.15 2.24 1.63 -1.02 -2.68 116.57 118.48 1qh1 h LYS 132 Ca 0.19 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1qh1 h LYS 132 Cb -0.01 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1qh1 h LYS 132 CO -0.04 0.93 -0.26 1.25 -3.45 0.00 0.00 179.45 177.88 1qh1 h LEU 133 N 0.81 -0.73 -1.36 5.20 6.46 -0.32 -1.37 115.31 124.00 1qh1 h LEU 133 Ca 0.14 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1qh1 h LEU 133 Cb 0.58 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 1qh1 h LEU 133 CO 0.04 -0.36 0.45 0.40 -0.62 0.00 0.00 178.44 178.35 1qh1 h ILE 134 N -0.49 1.12 -0.81 4.05 2.04 -1.21 -0.44 117.51 121.77 1qh1 h ILE 134 Ca 0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1qh1 h ILE 134 Cb 0.50 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1qh1 h ILE 134 CO -0.13 0.15 0.47 -0.33 0.00 0.00 0.00 178.15 178.31 1qh1 h GLU 135 N 0.84 1.11 -0.24 2.37 5.08 -1.05 -1.35 114.58 121.35 1qh1 h GLU 135 Ca 0.27 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1qh1 h GLU 135 Cb 0.02 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1qh1 h GLU 135 CO -0.07 0.80 -0.45 0.93 -1.00 0.00 0.00 179.01 179.21 1qh1 h GLU 136 N 1.11 0.61 -0.50 2.33 5.08 -0.71 -2.25 114.58 120.25 1qh1 h GLU 136 Ca 0.29 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1qh1 h GLU 136 Cb -0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1qh1 h GLU 136 CO -0.05 0.94 0.15 1.98 -1.00 0.00 0.00 179.01 181.03 1qh1 h MET 137 N 0.49 0.78 -0.53 2.33 4.05 -0.90 -1.21 114.93 119.95 1qh1 h MET 137 Ca 0.03 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1qh1 h MET 137 Cb 0.98 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 1qh1 h MET 137 CO 0.09 0.73 0.09 1.49 0.23 0.00 0.00 176.91 179.54 1qh1 h GLU 138 N 0.68 0.83 -0.47 0.39 4.57 -0.98 0.19 114.58 119.79 1qh1 h GLU 138 Ca 0.16 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1qh1 h GLU 138 Cb 0.28 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1qh1 h GLU 138 CO -0.00 0.78 0.09 1.25 -1.18 0.00 0.00 179.01 179.94 1qh1 h LEU 139 N 0.80 0.74 0.00 1.64 5.85 -1.10 -3.20 115.31 120.04 1qh1 h LEU 139 Ca 0.17 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1qh1 h LEU 139 Cb 0.35 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1qh1 h LEU 139 CO 0.01 0.81 -1.00 0.18 -0.34 0.00 0.00 178.44 178.09 1qh1 n LEU 140 N -4.45 0.62 -3.22 2.25 4.77 -0.48 -4.50 117.00 111.99 1qh1 n LEU 140 Ca 0.01 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.71 1qh1 n LEU 140 Cb 0.24 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1qh1 n LEU 140 CO 0.40 0.06 -0.21 0.49 -1.33 0.00 0.00 177.39 176.80 1qh1 n PHE 141 N -1.92 0.54 0.26 -1.77 3.72 0.64 -4.99 117.46 113.94 1qh1 n PHE 141 Ca 0.02 -3.71 0.14 0.00 -0.05 0.00 0.00 57.45 53.85 1qh1 n PHE 141 Cb 0.43 -0.40 0.64 0.00 -0.94 0.00 0.00 39.48 39.21 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 -0.24 -1.08 0.13 -1.74 -3.13 132.00 129.80 1qh1 h PRO 142 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1qh1 h PRO 142 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1qh1 h PRO 142 CO 0.54 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1qh1 n LEU 143 N -3.31 1.73 -4.77 1.56 4.77 -1.26 -4.89 117.00 110.82 1qh1 n LEU 143 Ca -0.00 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 1qh1 n LEU 143 Cb 0.33 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1qh1 n LEU 143 CO 0.30 0.39 1.11 0.35 -1.33 0.00 0.00 177.39 178.21 1qh1 n THR 144 N 0.39 2.40 0.05 -5.08 -2.24 -1.18 -4.88 114.28 103.74 1qh1 n THR 144 Ca 0.14 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1qh1 n THR 144 Cb 0.31 -1.93 -0.09 0.00 -2.10 0.00 0.00 70.33 66.52 1qh1 n THR 144 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qh1 h LYS 145 N 2.63 0.00 -2.47 -0.78 1.79 -1.03 -3.49 116.57 113.23 1qh1 h LYS 145 Ca -0.51 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.12 1qh1 h LYS 145 Cb 1.25 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.85 1qh1 h LYS 145 CO 0.62 0.70 0.53 0.20 -1.08 0.00 0.00 179.45 180.42 1qh1 s GLY 146 N -4.77 -0.02 -0.00 3.86 0.00 -1.25 -4.31 107.32 100.83 1qh1 s GLY 146 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1qh1 s GLY 146 CO 0.81 1.19 -0.10 -0.42 0.00 0.00 0.00 173.10 174.58 1qh1 s ILE 147 N -2.64 0.75 0.19 0.90 1.01 -0.28 -1.94 121.20 119.20 1qh1 s ILE 147 Ca 0.17 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.47 1qh1 s ILE 147 Cb -0.02 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1qh1 s ILE 147 CO 0.04 0.17 -0.16 0.42 0.00 0.00 0.00 174.94 175.42 1qh1 s THR 148 N -0.30 2.79 -0.31 2.92 -4.23 -0.01 -0.38 115.64 116.12 1qh1 s THR 148 Ca 0.03 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1qh1 s THR 148 Cb -0.04 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.51 1qh1 s THR 148 CO -0.00 -0.14 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.31 1qh1 s ILE 149 N -1.76 2.27 -0.47 2.99 1.01 0.59 -0.93 121.20 124.90 1qh1 s ILE 149 Ca 0.24 -2.10 -0.17 0.00 0.00 0.00 0.00 60.65 58.62 1qh1 s ILE 149 Cb -0.08 -2.57 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1qh1 s ILE 149 CO 0.13 -0.41 0.48 -1.10 0.00 0.00 0.00 174.94 174.04 1qh1 s GLN 150 N 0.98 3.05 0.03 2.79 -1.52 0.65 -0.96 119.66 124.68 1qh1 s GLN 150 Ca 0.04 -1.08 -0.30 0.00 -1.95 0.00 0.00 55.36 52.07 1qh1 s GLN 150 Cb -0.19 -4.09 -0.05 0.00 -0.22 0.00 0.00 33.01 28.46 1qh1 s GLN 150 CO -0.07 -1.05 1.23 -1.12 -0.25 0.00 0.00 175.29 174.03 1qh1 s SER 151 N 2.46 7.03 0.59 5.90 0.01 -0.73 -1.27 113.70 127.70 1qh1 s SER 151 Ca 0.09 2.00 -0.02 0.00 1.31 0.00 0.00 55.95 59.33 1qh1 s SER 151 Cb -0.21 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.48 1qh1 s SER 151 CO 0.10 -0.53 0.85 -1.61 0.41 0.00 0.00 173.24 172.46 1qh1 s GLU 152 N 1.46 2.55 0.18 12.44 2.02 -0.33 -2.74 118.70 134.27 1qh1 s GLU 152 Ca 0.59 -0.49 -0.20 0.00 0.02 0.00 0.00 54.97 54.89 1qh1 s GLU 152 Cb -0.29 -2.37 0.10 0.00 0.10 0.00 0.00 34.13 31.67 1qh1 s GLU 152 CO 0.27 -0.82 1.34 0.00 0.02 0.00 0.00 175.26 176.07 1qh1 h PRO 154 N 0.00 0.41 0.19 0.00 0.11 -1.95 -3.35 132.00 127.41 1qh1 h PRO 154 Ca 0.24 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.34 1qh1 h PRO 154 Cb 0.45 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.43 1qh1 h PRO 154 CO -0.84 0.27 -0.43 0.28 -0.21 0.00 0.00 178.00 177.07 1qh1 h VAL 155 N 0.42 0.14 -0.06 3.15 2.07 -1.73 -1.84 116.25 118.40 1qh1 h VAL 155 Ca 0.30 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.69 1qh1 h VAL 155 Cb 0.62 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1qh1 h VAL 155 CO -0.09 0.00 -0.55 1.23 0.02 0.00 0.00 177.57 178.18 1qh1 h GLY 156 N -0.71 0.19 1.74 2.17 0.00 -1.80 -2.85 103.07 101.81 1qh1 h GLY 156 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1qh1 h GLY 156 CO -0.21 0.20 0.01 1.41 0.00 0.00 0.00 176.54 177.95 1qh1 h LEU 157 N 0.14 0.31 -0.92 3.11 3.38 -1.57 -0.65 115.31 119.11 1qh1 h LEU 157 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qh1 h LEU 157 Cb 1.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1qh1 h LEU 157 CO 0.08 0.36 -0.13 2.30 0.09 0.00 0.00 178.44 181.15 1qh1 n ILE 158 N -4.35 0.00 -0.64 1.22 -5.35 -0.74 -4.95 119.36 104.54 1qh1 n ILE 158 Ca 0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1qh1 n ILE 158 Cb 0.19 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.27 0.64 3.76 3.28 0.00 -0.25 -4.94 105.19 108.94 1qh1 n GLY 159 Ca 0.15 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.61 4.48 -0.57 1.61 1.01 -1.08 -5.00 116.67 114.51 1qh1 s ASP 160 Ca 0.00 1.94 0.04 0.00 0.71 0.00 0.00 52.55 55.24 1qh1 s ASP 160 Cb 0.00 -2.54 0.16 0.00 1.01 0.00 0.00 42.92 41.55 1qh1 s ASP 160 CO 0.00 -2.05 0.39 -0.62 0.21 0.00 0.00 175.17 173.09 1qh1 s ASP 161 N -3.02 3.77 0.45 0.27 -1.08 -1.26 -4.80 116.67 111.00 1qh1 s ASP 161 Ca 0.64 -3.35 0.29 0.00 -0.52 0.00 0.00 52.55 49.61 1qh1 s ASP 161 Cb -0.19 -1.24 1.09 0.00 -1.46 0.00 0.00 42.92 41.11 1qh1 s ASP 161 CO 0.52 -0.15 1.85 0.16 0.52 0.00 0.00 175.17 178.07 1qh1 h ILE 162 N 4.72 0.00 -0.40 4.11 3.07 -1.97 -3.07 117.51 123.97 1qh1 h ILE 162 Ca 0.12 -0.52 -0.09 0.00 1.55 0.00 0.00 64.86 65.92 1qh1 h ILE 162 Cb 0.84 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 1qh1 h ILE 162 CO 0.59 0.00 -0.12 0.28 -1.05 0.00 0.00 178.15 177.85 1qh1 h SER 163 N 0.00 0.80 -0.62 2.16 0.02 -1.95 0.02 113.55 113.97 1qh1 h SER 163 Ca 0.00 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1qh1 h SER 163 Cb 0.57 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1qh1 h SER 163 CO 0.00 0.99 0.39 0.00 -1.14 0.00 0.00 176.83 177.07 1qh1 h ALA 164 N 0.84 0.80 -0.36 3.77 0.00 -1.98 -0.43 119.26 121.90 1qh1 h ALA 164 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qh1 h ALA 164 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qh1 h ALA 164 CO 0.04 0.16 0.23 0.28 0.00 0.00 0.00 179.25 179.96 1qh1 h VAL 165 N 0.79 1.08 -0.64 0.00 2.07 -1.44 -2.34 116.25 115.76 1qh1 h VAL 165 Ca 0.24 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1qh1 h VAL 165 Cb -0.02 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1qh1 h VAL 165 CO -0.08 0.09 0.26 0.00 0.02 0.00 0.00 177.57 177.85 1qh1 h ALA 166 N 1.14 0.84 -0.43 1.67 0.00 -0.62 -0.31 119.26 121.55 1qh1 h ALA 166 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1qh1 h ALA 166 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1qh1 h ALA 166 CO -0.04 0.45 0.15 -0.91 0.00 0.00 0.00 179.25 178.91 1qh1 h ASN 167 N 0.90 0.61 -0.16 0.00 2.35 -1.00 0.00 115.58 118.29 1qh1 h ASN 167 Ca 0.21 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1qh1 h ASN 167 Cb 0.21 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1qh1 h ASN 167 CO -0.02 0.63 0.07 0.00 -1.65 0.00 0.00 177.43 176.46 1qh1 h ALA 168 N 1.00 0.20 -0.18 -0.83 0.00 -1.23 -2.69 119.26 115.54 1qh1 h ALA 168 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1qh1 h ALA 168 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qh1 h ALA 168 CO -0.01 -0.22 -0.19 0.77 0.00 0.00 0.00 179.25 179.61 1qh1 h SER 169 N 0.11 0.30 -0.63 0.00 0.02 -0.94 -2.40 113.55 110.01 1qh1 h SER 169 Ca 0.05 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1qh1 h SER 169 Cb 0.15 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1qh1 h SER 169 CO -0.01 0.51 0.11 -1.28 -1.14 0.00 0.00 176.83 175.02 1qh1 h SER 170 N 0.28 0.99 -0.55 3.07 0.87 -0.91 -0.64 113.55 116.67 1qh1 h SER 170 Ca 0.05 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1qh1 h SER 170 Cb 0.50 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1qh1 h SER 170 CO 0.03 0.99 0.25 0.11 -0.53 0.00 0.00 176.83 177.69 1qh1 h LYS 171 N 0.95 0.79 -0.21 2.24 1.57 -1.33 0.38 116.57 120.96 1qh1 h LYS 171 Ca 0.19 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1qh1 h LYS 171 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1qh1 h LYS 171 CO 0.01 0.66 -0.36 0.00 -0.57 0.00 0.00 179.45 179.19 1qh1 h ALA 172 N 1.09 0.99 0.00 3.86 0.00 -1.04 -3.20 119.26 120.96 1qh1 h ALA 172 Ca 0.19 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1qh1 h ALA 172 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qh1 h ALA 172 CO -0.02 0.61 -0.84 -0.07 0.00 0.00 0.00 179.25 178.93 1qh1 h LEU 173 N 0.39 0.00 -1.06 0.00 4.07 -1.06 -3.49 115.31 114.16 1qh1 h LEU 173 Ca 0.04 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.60 1qh1 h LEU 173 Cb 0.81 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.67 1qh1 h LEU 173 CO 0.07 0.28 -0.71 -0.67 -1.08 0.00 0.00 178.44 176.32 1qh1 n ASP 174 N -2.93 -5.15 -3.81 -0.43 2.03 0.12 -5.01 116.55 101.36 1qh1 n ASP 174 Ca -0.02 -0.60 -0.11 0.00 0.52 0.00 0.00 54.79 54.58 1qh1 n ASP 174 Cb 0.67 -4.85 -0.08 0.00 -0.72 0.00 0.00 41.12 36.14 1qh1 n ASP 174 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qh1 s LYS 175 N -6.17 0.68 0.19 -0.67 1.02 -1.22 -5.09 119.74 108.48 1qh1 s LYS 175 Ca 0.47 -0.47 -0.32 0.00 0.02 0.00 0.00 55.97 55.66 1qh1 s LYS 175 Cb -0.21 0.29 -0.11 0.00 -0.52 0.00 0.00 37.83 37.28 1qh1 s LYS 175 CO 0.75 -0.20 1.72 -2.14 -0.92 0.00 0.00 175.35 174.56 1qh1 s PRO 176 N -2.12 4.14 -0.21 -1.68 0.02 -1.26 -4.43 135.00 129.46 1qh1 s PRO 176 Ca -0.08 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1qh1 s PRO 176 Cb -0.03 -3.17 0.05 0.00 0.02 0.00 0.00 34.50 31.37 1qh1 s PRO 176 CO -0.01 -0.75 -0.05 0.08 -0.33 0.00 0.00 177.00 175.94 1qh1 s VAL 177 N 1.44 1.34 -0.27 3.83 1.01 -1.26 -1.12 120.40 125.37 1qh1 s VAL 177 Ca 0.75 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1qh1 s VAL 177 Cb -0.48 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1qh1 s VAL 177 CO 0.33 0.00 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1qh1 s ILE 178 N 1.50 3.39 -0.01 2.22 -1.09 0.49 -4.68 121.20 123.03 1qh1 s ILE 178 Ca -0.03 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 57.27 1qh1 s ILE 178 Cb -0.17 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 1qh1 s ILE 178 CO -0.07 0.12 0.69 -2.16 -1.23 0.00 0.00 174.94 172.29 1qh1 s PRO 179 N 1.40 4.42 -0.12 2.79 0.04 -1.26 -0.30 135.00 141.97 1qh1 s PRO 179 Ca 0.01 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1qh1 s PRO 179 Cb -0.17 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.01 1qh1 s PRO 179 CO -0.01 0.24 -0.10 0.08 0.04 0.00 0.00 177.00 177.24 1qh1 s VAL 180 N 0.19 1.20 -1.14 -0.36 1.01 -0.13 -4.91 120.40 116.27 1qh1 s VAL 180 Ca 0.36 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1qh1 s VAL 180 Cb -0.19 -1.17 0.26 0.00 0.00 0.00 0.00 36.38 35.28 1qh1 s VAL 180 CO 0.19 0.39 1.53 0.54 0.00 0.00 0.00 175.10 177.75 1qh1 n ARG 181 N 4.73 4.07 -1.13 2.72 1.74 -1.26 -1.77 116.66 125.76 1qh1 n ARG 181 Ca -0.15 -4.25 -0.16 0.00 -0.77 0.00 0.00 57.85 52.52 1qh1 n ARG 181 Cb 0.50 -2.65 0.16 0.00 -1.02 0.00 0.00 32.46 29.45 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 -1.06 1.31 0.08 0.00 4.71 -1.11 -1.85 120.64 122.73 1qh1 n GLU 183 Ca 0.46 0.46 0.10 0.00 -0.01 0.00 0.00 57.16 58.17 1qh1 n GLU 183 Cb 1.15 -1.84 0.41 0.00 -1.01 0.00 0.00 31.44 30.15 1qh1 n GLU 183 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qh1 n GLY 184 N 1.33 -1.11 0.04 0.62 0.00 -1.26 -1.45 105.19 103.36 1qh1 n GLY 184 Ca 0.10 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1qh1 n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qh1 n PHE 185 N -1.94 0.39 -2.49 1.61 1.16 -1.26 -4.09 117.46 110.83 1qh1 n PHE 185 Ca 0.02 0.11 -0.37 0.00 -1.87 0.00 0.00 57.45 55.34 1qh1 n PHE 185 Cb 0.18 -0.61 -0.04 0.00 -1.61 0.00 0.00 39.48 37.40 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 -3.07 4.21 2.99 3.97 0.52 -0.53 -4.85 118.95 122.20 1qh1 s ARG 186 Ca 0.11 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 1qh1 s ARG 186 Cb 0.16 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1qh1 s ARG 186 CO 0.62 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1qh1 n GLY 187 N 0.53 0.23 0.00 -3.53 0.00 -1.26 -4.35 105.19 96.81 1qh1 n GLY 187 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.32 1.61 0.24 -1.26 -5.02 118.33 110.58 1qh1 n VAL 188 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1qh1 n VAL 188 Cb 0.00 1.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.10 0.00 0.29 -1.34 3.41 -1.26 -4.57 113.62 110.05 1qh1 n SER 189 Ca 0.00 -0.63 0.17 0.00 -0.26 0.00 0.00 58.87 58.15 1qh1 n SER 189 Cb 0.10 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.00 -0.37 4.33 7.50 -1.64 -3.04 115.11 121.89 1qh1 h GLN 190 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1qh1 h GLN 190 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 1qh1 h GLN 190 CO 0.00 0.05 0.13 1.03 -1.50 0.00 0.00 178.83 178.54 1qh1 h SER 191 N 0.00 0.53 0.19 1.46 0.87 -1.86 -1.51 113.55 113.22 1qh1 h SER 191 Ca -0.00 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1qh1 h SER 191 Cb 0.28 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1qh1 h SER 191 CO 0.01 0.58 -0.18 0.25 -0.53 0.00 0.00 176.83 176.96 1qh1 h LEU 192 N 0.45 0.00 -1.23 2.23 5.85 -1.90 -0.44 115.31 120.28 1qh1 h LEU 192 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1qh1 h LEU 192 Cb 0.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1qh1 h LEU 192 CO -0.01 0.18 0.48 1.23 -0.34 0.00 0.00 178.44 179.98 1qh1 h GLY 193 N 0.55 1.07 0.96 3.75 0.00 -1.41 0.13 103.07 108.13 1qh1 h GLY 193 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1qh1 h GLY 193 CO 0.02 0.41 -0.04 0.45 0.00 0.00 0.00 176.54 177.38 1qh1 h HIS 194 N 1.03 -0.09 0.04 5.60 3.86 -0.93 -1.00 115.15 123.66 1qh1 h HIS 194 Ca 0.27 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1qh1 h HIS 194 Cb -0.09 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1qh1 h HIS 194 CO 0.00 -0.06 -0.02 1.25 0.86 0.00 0.00 177.93 179.96 1qh1 h HIS 195 N -0.08 -0.05 -0.65 2.45 6.17 -0.97 0.11 115.15 122.13 1qh1 h HIS 195 Ca 0.00 -0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.20 1qh1 h HIS 195 Cb 0.08 0.02 -0.12 0.00 2.52 0.00 0.00 27.41 29.90 1qh1 h HIS 195 CO -0.09 0.16 -0.25 0.82 0.71 0.00 0.00 177.93 179.28 1qh1 h ILE 196 N -0.26 0.24 -0.62 6.26 2.04 -0.77 -1.62 117.51 122.78 1qh1 h ILE 196 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1qh1 h ILE 196 Cb 0.23 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1qh1 h ILE 196 CO 0.01 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.44 1qh1 h ALA 197 N 1.38 1.32 -0.54 1.87 0.00 -0.48 -0.80 119.26 122.02 1qh1 h ALA 197 Ca 0.29 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1qh1 h ALA 197 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qh1 h ALA 197 CO -0.70 0.52 -0.06 -0.91 0.00 0.00 0.00 179.25 178.09 1qh1 h ASN 198 N 0.88 0.96 -0.52 0.00 -0.26 -0.25 -0.48 115.58 115.91 1qh1 h ASN 198 Ca 0.21 -0.29 -0.10 0.00 -0.56 0.00 0.00 56.30 55.56 1qh1 h ASN 198 Cb 0.12 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 1qh1 h ASN 198 CO -0.02 1.05 -0.05 0.44 -1.06 0.00 0.00 177.43 177.79 1qh1 h ASP 199 N 0.88 0.98 -0.13 5.81 3.32 -1.02 0.11 116.42 126.36 1qh1 h ASP 199 Ca 0.15 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1qh1 h ASP 199 Cb 0.60 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1qh1 h ASP 199 CO 0.04 1.06 0.06 0.58 -1.72 0.00 0.00 179.24 179.26 1qh1 h VAL 200 N 0.90 1.11 -0.07 -1.35 2.07 -0.90 -2.48 116.25 115.53 1qh1 h VAL 200 Ca 0.15 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1qh1 h VAL 200 Cb 0.59 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1qh1 h VAL 200 CO 0.04 0.10 -0.13 0.58 0.02 0.00 0.00 177.57 178.18 1qh1 h VAL 201 N 0.09 0.67 -0.75 2.57 2.07 -0.75 0.27 116.25 120.41 1qh1 h VAL 201 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.72 1qh1 h VAL 201 Cb 0.11 0.67 -0.14 0.00 -1.52 0.00 0.00 31.29 30.40 1qh1 h VAL 201 CO -0.01 0.00 -0.16 -0.09 0.02 0.00 0.00 177.57 177.33 1qh1 h ARG 202 N -0.18 0.01 0.00 1.57 2.43 -0.69 -1.25 114.38 116.26 1qh1 h ARG 202 Ca 0.07 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 1qh1 h ARG 202 Cb 0.28 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1qh1 h ARG 202 CO -0.17 0.01 -1.50 -0.25 -1.51 0.00 0.00 179.97 176.54 1qh1 n ASP 203 N -5.47 0.75 -0.00 -3.80 8.00 -0.94 -4.12 116.55 110.96 1qh1 n ASP 203 Ca 0.11 0.33 0.04 0.00 0.71 0.00 0.00 54.79 55.97 1qh1 n ASP 203 Cb 0.39 0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1qh1 n ASP 203 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1qh1 n TRP 204 N -2.83 0.00 0.01 1.24 7.02 0.04 -4.81 117.44 118.12 1qh1 n TRP 204 Ca -0.11 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.37 1qh1 n TRP 204 Cb 0.83 -0.08 -0.00 0.00 -2.42 0.00 0.00 31.31 29.64 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 -1.44 0.39 0.25 -0.99 5.41 -0.75 -4.86 119.36 117.37 1qh1 n ILE 205 Ca 0.00 0.12 0.09 0.00 1.00 0.00 0.00 62.75 63.97 1qh1 n ILE 205 Cb 0.16 -1.53 0.66 0.00 -0.71 0.00 0.00 39.64 38.22 1qh1 n ILE 205 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1qh1 h LEU 206 N -0.01 0.00 -1.38 1.39 3.38 -1.41 -2.20 115.31 115.07 1qh1 h LEU 206 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qh1 h LEU 206 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1qh1 h LEU 206 CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1qh1 n ASN 207 N -4.50 2.07 0.29 -0.43 3.02 -1.26 -4.54 115.26 109.90 1qh1 n ASN 207 Ca -0.02 -1.80 0.18 0.00 -0.03 0.00 0.00 54.58 52.90 1qh1 n ASN 207 Cb 0.12 -0.15 0.78 0.00 -0.61 0.00 0.00 39.78 39.92 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 2.67 0.00 -0.05 6.41 2.35 -1.73 -2.76 115.58 122.47 1qh1 h ASN 208 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qh1 h ASN 208 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1qh1 h ASN 208 CO 0.00 0.02 0.00 0.54 -1.65 0.00 0.00 177.43 176.34 1qh1 n ARG 209 N -3.14 1.61 -1.76 0.81 1.74 -1.26 -5.04 116.66 109.61 1qh1 n ARG 209 Ca -0.00 -2.63 -0.42 0.00 -0.77 0.00 0.00 57.85 54.03 1qh1 n ARG 209 Cb 0.26 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.86 4.14 0.00 5.56 2.56 -1.04 -1.69 118.70 125.36 1qh1 s GLU 210 Ca 0.34 2.57 0.00 0.00 0.00 0.00 0.00 54.97 57.88 1qh1 s GLU 210 Cb 0.29 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 33.34 1qh1 s GLU 210 CO 0.04 -0.73 0.00 0.41 -0.56 0.00 0.00 175.26 174.42 1qh1 n GLY 211 N 3.91 0.81 3.87 -1.50 0.00 -1.26 -5.04 105.19 105.98 1qh1 n GLY 211 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1qh1 n GLY 211 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qh1 s GLN 212 N -0.23 3.82 0.23 1.61 -0.21 -0.68 -5.05 119.66 119.15 1qh1 s GLN 212 Ca 0.00 0.34 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 1qh1 s GLN 212 Cb 0.00 -2.56 -0.10 0.00 1.00 0.00 0.00 33.01 31.35 1qh1 s GLN 212 CO 0.00 0.22 1.38 -1.25 -2.12 0.00 0.00 175.29 173.51 1qh1 s PRO 213 N -3.11 4.33 -0.04 2.91 0.05 -1.26 -5.03 135.00 132.84 1qh1 s PRO 213 Ca 0.49 2.19 -0.01 0.00 0.05 0.00 0.00 61.00 63.72 1qh1 s PRO 213 Cb -0.11 -3.14 0.03 0.00 0.05 0.00 0.00 34.50 31.33 1qh1 s PRO 213 CO 0.23 -0.33 0.08 0.12 0.05 0.00 0.00 177.00 177.15 1qh1 s PHE 214 N -0.05 -0.06 -0.33 0.56 5.36 -1.26 -5.13 117.98 117.08 1qh1 s PHE 214 Ca 0.57 0.29 -0.25 0.00 -0.96 0.00 0.00 56.93 56.59 1qh1 s PHE 214 Cb -0.39 -0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.12 1qh1 s PHE 214 CO 0.42 -0.13 0.87 -1.83 -1.46 0.00 0.00 175.22 173.09 1qh1 s GLU 215 N 1.13 3.91 0.35 10.12 -1.05 -1.26 -5.02 118.70 126.88 1qh1 s GLU 215 Ca -0.09 0.61 0.07 0.00 -0.15 0.00 0.00 54.97 55.41 1qh1 s GLU 215 Cb -0.12 -3.76 -0.01 0.00 -0.44 0.00 0.00 34.13 29.80 1qh1 s GLU 215 CO -0.04 -0.81 0.46 0.95 0.95 0.00 0.00 175.26 176.77 1qh1 s THR 216 N 3.21 3.75 0.21 1.83 -4.23 -1.26 -5.15 115.64 114.00 1qh1 s THR 216 Ca 0.36 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1qh1 s THR 216 Cb -0.13 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.37 1qh1 s THR 216 CO 0.15 -0.12 -0.02 0.42 -0.54 0.00 0.00 174.62 174.51 1qh1 s THR 217 N -2.24 1.03 0.09 3.99 -4.23 -1.26 -5.05 115.64 107.97 1qh1 s THR 217 Ca 0.46 -2.04 0.33 0.00 -1.18 0.00 0.00 61.69 59.27 1qh1 s THR 217 Cb -0.09 -2.23 0.36 0.00 1.34 0.00 0.00 72.50 71.88 1qh1 s THR 217 CO 0.31 -0.42 1.99 -0.65 -0.54 0.00 0.00 174.62 175.31 1qh1 h PRO 218 N 2.55 0.00 -0.17 3.99 0.11 -2.01 -3.23 132.00 133.23 1qh1 h PRO 218 Ca -0.38 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1qh1 h PRO 218 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1qh1 h PRO 218 CO 0.64 0.00 -0.28 0.66 -0.21 0.00 0.00 178.00 178.81 1qh1 n TYR 219 N -2.82 0.54 -2.60 0.65 4.01 -1.26 -4.94 117.16 110.73 1qh1 n TYR 219 Ca -0.00 -1.53 -0.42 0.00 -0.16 0.00 0.00 57.90 55.78 1qh1 n TYR 219 Cb 0.20 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.87 7.18 0.24 7.72 1.01 -1.22 -0.73 116.67 127.99 1qh1 s ASP 220 Ca 0.41 1.65 0.02 0.00 0.71 0.00 0.00 52.55 55.34 1qh1 s ASP 220 Cb 0.39 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 1qh1 s ASP 220 CO -0.03 -0.48 0.04 0.68 0.21 0.00 0.00 175.17 175.59 1qh1 s VAL 221 N 1.98 0.76 -0.03 -1.27 -7.23 -0.13 -0.46 120.40 114.03 1qh1 s VAL 221 Ca 0.51 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1qh1 s VAL 221 Cb -0.21 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1qh1 s VAL 221 CO 0.20 -0.20 -0.18 0.00 -0.31 0.00 0.00 175.10 174.61 1qh1 s ALA 222 N -3.61 1.53 -0.36 1.32 0.00 -0.93 -1.52 121.76 118.20 1qh1 s ALA 222 Ca 0.32 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 1qh1 s ALA 222 Cb 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1qh1 s ALA 222 CO 0.10 0.33 0.74 0.42 0.00 0.00 0.00 175.76 177.35 1qh1 s ILE 223 N -0.22 4.78 -0.32 0.00 1.01 -0.13 -1.05 121.20 125.26 1qh1 s ILE 223 Ca 0.02 0.79 -0.08 0.00 0.00 0.00 0.00 60.65 61.39 1qh1 s ILE 223 Cb -0.09 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1qh1 s ILE 223 CO 0.01 -0.40 0.11 -0.63 0.00 0.00 0.00 174.94 174.03 1qh1 s ILE 224 N 2.97 4.08 0.00 2.92 -1.09 0.16 -0.34 121.20 129.91 1qh1 s ILE 224 Ca 0.29 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1qh1 s ILE 224 Cb -0.14 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1qh1 s ILE 224 CO 0.16 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 1qh1 n GLY 225 N 4.89 0.86 2.85 6.18 0.00 0.55 -1.03 105.19 119.49 1qh1 n GLY 225 Ca -0.13 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.22 2.03 -0.18 1.61 -1.08 -0.60 -1.34 116.67 114.89 1qh1 s ASP 226 Ca 0.00 -0.26 0.16 0.00 -0.52 0.00 0.00 52.55 51.92 1qh1 s ASP 226 Cb 0.00 -0.69 0.70 0.00 -1.46 0.00 0.00 42.92 41.47 1qh1 s ASP 226 CO 0.00 -0.16 1.61 -1.22 0.52 0.00 0.00 175.17 175.92 1qh1 n TYR 227 N 5.02 1.56 -3.63 -5.34 4.01 -1.26 -1.69 117.16 115.82 1qh1 n TYR 227 Ca -0.10 -0.73 -0.24 0.00 -0.16 0.00 0.00 57.90 56.67 1qh1 n TYR 227 Cb 0.50 -0.37 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.45 -5.66 -4.66 7.72 5.15 -1.26 -4.12 115.26 112.87 1qh1 n ASN 228 Ca 0.25 -0.59 -0.42 0.00 -0.60 0.00 0.00 54.58 53.22 1qh1 n ASN 228 Cb 1.01 -4.87 -0.03 0.00 -0.53 0.00 0.00 39.78 35.36 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 -3.33 3.71 -1.34 -1.44 -1.09 -1.26 -1.34 121.20 115.12 1qh1 s ILE 229 Ca 0.53 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1qh1 s ILE 229 Cb -0.24 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1qh1 s ILE 229 CO 0.75 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1qh1 n GLY 230 N 3.98 1.30 1.35 6.18 0.00 -0.79 -2.06 105.19 115.14 1qh1 n GLY 230 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.74 0.78 0.29 -0.02 0.00 -0.45 -2.44 105.19 102.60 1qh1 n GLY 231 Ca -0.13 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.79 -0.08 1.61 3.32 -1.52 -1.71 116.42 118.82 1qh1 h ASP 232 Ca 0.00 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1qh1 h ASP 232 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qh1 h ASP 232 CO 0.00 0.55 -0.39 0.00 -1.72 0.00 0.00 179.24 177.68 1qh1 h ALA 233 N 1.30 0.84 -0.58 3.45 0.00 -1.87 -2.62 119.26 119.78 1qh1 h ALA 233 Ca 0.29 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1qh1 h ALA 233 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1qh1 h ALA 233 CO -0.10 0.64 0.10 -1.49 0.00 0.00 0.00 179.25 178.41 1qh1 h TRP 234 N 0.50 0.96 0.00 0.00 6.55 -1.72 0.37 115.95 122.61 1qh1 h TRP 234 Ca 0.05 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.77 1qh1 h TRP 234 Cb 0.89 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 1qh1 h TRP 234 CO 0.04 0.82 0.00 0.00 -1.05 0.00 0.00 178.44 178.25 1qh1 n ALA 235 N -2.46 2.06 -0.13 1.49 0.00 -0.82 -2.14 120.51 118.51 1qh1 n ALA 235 Ca 0.04 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1qh1 n ALA 235 Cb 0.26 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.42 1.98 -0.28 0.00 7.64 -0.74 -4.43 113.62 116.36 1qh1 n SER 236 Ca 0.07 0.06 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1qh1 n SER 236 Cb 0.23 -0.59 0.16 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.38 0.71 -0.94 1.43 2.43 -0.23 -2.32 114.38 115.08 1qh1 h ARG 237 Ca -0.62 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.52 1qh1 h ARG 237 Cb 1.79 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 31.13 1qh1 h ARG 237 CO -0.21 0.47 0.62 0.97 -1.51 0.00 0.00 179.97 180.31 1qh1 h ILE 238 N 0.73 1.24 -0.37 1.20 2.10 -1.64 -1.06 117.51 119.70 1qh1 h ILE 238 Ca 0.39 -0.43 -0.05 0.00 1.08 0.00 0.00 64.86 65.84 1qh1 h ILE 238 Cb 0.38 -0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 35.95 1qh1 h ILE 238 CO -0.26 0.23 0.03 -0.07 -1.08 0.00 0.00 178.15 177.00 1qh1 h LEU 239 N 1.26 0.62 -1.14 2.19 3.38 -1.64 -0.54 115.31 119.45 1qh1 h LEU 239 Ca 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1qh1 h LEU 239 Cb -0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1qh1 h LEU 239 CO -0.08 0.75 0.16 -0.07 0.09 0.00 0.00 178.44 179.29 1qh1 h LEU 240 N 0.47 0.70 -0.31 1.67 3.38 -1.21 -1.45 115.31 118.57 1qh1 h LEU 240 Ca 0.11 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1qh1 h LEU 240 Cb 0.41 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qh1 h LEU 240 CO 0.01 0.67 -0.81 -0.33 0.09 0.00 0.00 178.44 178.08 1qh1 h GLU 241 N 0.74 0.43 0.00 1.13 5.08 -1.15 -1.99 114.58 118.83 1qh1 h GLU 241 Ca 0.17 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1qh1 h GLU 241 Cb 0.23 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1qh1 h GLU 241 CO -0.01 1.04 -0.09 0.93 -1.00 0.00 0.00 179.01 179.88 1qh1 h GLU 242 N 0.28 0.00 -0.00 2.33 5.08 -0.73 -1.35 114.58 120.18 1qh1 h GLU 242 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1qh1 h GLU 242 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1qh1 h GLU 242 CO 0.14 0.09 -0.12 -0.12 -1.00 0.00 0.00 179.01 178.01 1qh1 n MET 243 N -4.05 0.75 -0.11 2.33 1.56 -0.58 -4.90 117.12 112.13 1qh1 n MET 243 Ca -0.02 -0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.13 1qh1 n MET 243 Cb 0.18 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.05 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 1.27 0.94 3.93 -5.12 0.00 -0.51 -4.70 105.19 101.02 1qh1 n GLY 244 Ca 0.15 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 3.84 -0.20 0.99 1.43 -0.81 -4.87 118.68 119.05 1qh1 s LEU 245 Ca 0.00 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1qh1 s LEU 245 Cb 0.00 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1qh1 s LEU 245 CO 0.00 -0.45 -0.03 -0.60 0.23 0.00 0.00 176.35 175.50 1qh1 s ARG 246 N -4.48 3.49 -0.76 1.70 3.52 0.09 -4.03 118.95 118.48 1qh1 s ARG 246 Ca 0.44 -0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 55.28 1qh1 s ARG 246 Cb -0.10 -3.01 0.14 0.00 -1.56 0.00 0.00 34.95 30.42 1qh1 s ARG 246 CO 0.39 -0.07 0.85 0.08 -0.81 0.00 0.00 175.30 175.74 1qh1 s VAL 247 N 1.17 5.01 0.32 7.11 1.01 -1.26 -0.95 120.40 132.81 1qh1 s VAL 247 Ca 0.02 -1.57 0.06 0.00 0.00 0.00 0.00 61.98 60.49 1qh1 s VAL 247 Cb -0.14 -4.57 0.10 0.00 0.00 0.00 0.00 36.38 31.76 1qh1 s VAL 247 CO -0.00 -1.21 1.79 0.58 0.00 0.00 0.00 175.10 176.25 1qh1 h VAL 248 N 5.58 1.25 -3.25 2.92 2.07 -1.66 -3.46 116.25 119.70 1qh1 h VAL 248 Ca -0.05 -1.14 -0.12 0.00 0.82 0.00 0.00 66.70 66.21 1qh1 h VAL 248 Cb 1.06 1.35 -0.19 0.00 -1.52 0.00 0.00 31.29 31.98 1qh1 h VAL 248 CO 1.01 0.36 -0.32 0.00 0.02 0.00 0.00 177.57 178.63 1qh1 s ALA 249 N -4.53 -0.62 -0.20 1.67 0.00 -1.24 -4.78 121.76 112.07 1qh1 s ALA 249 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1qh1 s ALA 249 Cb 0.14 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1qh1 s ALA 249 CO 0.77 -0.30 -0.10 -0.65 0.00 0.00 0.00 175.76 175.47 1qh1 s GLN 250 N -1.80 2.03 -0.34 0.00 -0.21 -1.26 -0.96 119.66 117.13 1qh1 s GLN 250 Ca -0.11 -0.85 -0.09 0.00 0.02 0.00 0.00 55.36 54.33 1qh1 s GLN 250 Cb -0.04 -2.42 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1qh1 s GLN 250 CO 0.01 -0.43 0.16 -1.58 -2.12 0.00 0.00 175.29 171.33 1qh1 s TRP 251 N 1.39 3.21 -0.07 0.91 0.52 0.54 -4.26 118.94 121.18 1qh1 s TRP 251 Ca -0.01 -0.89 0.11 0.00 0.02 0.00 0.00 56.10 55.33 1qh1 s TRP 251 Cb -0.16 -2.37 0.16 0.00 -1.15 0.00 0.00 33.47 29.95 1qh1 s TRP 251 CO -0.08 -0.58 1.05 -1.13 0.02 0.00 0.00 176.95 176.23 1qh1 n SER 252 N 4.95 1.68 -4.66 2.95 3.41 -1.19 -0.33 113.62 120.44 1qh1 n SER 252 Ca -0.13 -2.56 -0.43 0.00 -0.26 0.00 0.00 58.87 55.50 1qh1 n SER 252 Cb 0.47 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.58 -1.55 5.00 0.00 -0.68 -0.99 107.32 108.67 1qh1 s GLY 253 Ca 0.18 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1qh1 s GLY 253 CO 0.02 2.80 0.00 1.34 0.00 0.00 0.00 173.10 177.25 1qh1 n ASP 254 N 6.92 -4.90 -4.93 1.64 2.03 -1.08 -4.72 116.55 111.52 1qh1 n ASP 254 Ca 0.16 0.17 -0.25 0.00 0.52 0.00 0.00 54.79 55.39 1qh1 n ASP 254 Cb 0.44 -3.93 0.06 0.00 -0.72 0.00 0.00 41.12 36.97 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 -2.52 1.70 0.04 0.27 0.00 -0.16 -4.85 107.32 101.80 1qh1 s GLY 255 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1qh1 s GLY 255 CO 0.00 -0.57 -0.04 -0.51 0.00 0.00 0.00 173.10 171.98 1qh1 s THR 256 N -3.19 0.26 0.24 0.90 -4.23 -1.26 -1.16 115.64 107.21 1qh1 s THR 256 Ca 0.60 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1qh1 s THR 256 Cb -0.11 -0.94 0.21 0.00 1.34 0.00 0.00 72.50 73.00 1qh1 s THR 256 CO 0.44 -0.72 1.80 0.25 -0.54 0.00 0.00 174.62 175.84 1qh1 h LEU 257 N 3.87 0.61 -0.18 4.79 5.85 -1.94 -2.32 115.31 125.99 1qh1 h LEU 257 Ca -0.34 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1qh1 h LEU 257 Cb 1.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1qh1 h LEU 257 CO 0.53 0.34 0.11 0.58 -0.34 0.00 0.00 178.44 179.66 1qh1 h VAL 258 N 0.73 1.06 -0.80 1.05 2.07 -1.99 -0.14 116.25 118.24 1qh1 h VAL 258 Ca 0.39 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1qh1 h VAL 258 Cb 0.40 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1qh1 h VAL 258 CO -0.26 0.06 0.47 -0.33 0.02 0.00 0.00 177.57 177.53 1qh1 h GLU 259 N 0.22 0.83 -0.52 1.57 5.08 -1.80 -1.74 114.58 118.22 1qh1 h GLU 259 Ca 0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1qh1 h GLU 259 Cb -0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1qh1 h GLU 259 CO -0.01 0.55 -0.08 0.52 -1.00 0.00 0.00 179.01 178.98 1qh1 h MET 260 N 0.85 0.94 0.00 2.33 2.86 -0.98 -2.45 114.93 118.47 1qh1 h MET 260 Ca 0.36 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1qh1 h MET 260 Cb 0.22 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1qh1 h MET 260 CO -0.19 0.98 -0.07 0.93 1.06 0.00 0.00 176.91 179.61 1qh1 h GLU 261 N 0.85 0.00 -0.01 1.72 5.08 -0.39 -2.25 114.58 119.58 1qh1 h GLU 261 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1qh1 h GLU 261 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1qh1 h GLU 261 CO 0.04 0.07 -0.12 0.09 -1.00 0.00 0.00 179.01 178.09 1qh1 n ASN 262 N -3.25 1.58 0.20 1.42 3.02 -0.71 -4.39 115.26 113.12 1qh1 n ASN 262 Ca -0.00 -1.37 0.04 0.00 -0.03 0.00 0.00 54.58 53.21 1qh1 n ASN 262 Cb 0.30 0.08 0.42 0.00 -0.61 0.00 0.00 39.78 39.96 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 2.29 1.21 0.00 3.41 2.02 -1.02 -1.85 112.91 118.98 1qh1 h THR 263 Ca 0.00 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1qh1 h THR 263 Cb 0.59 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1qh1 h THR 263 CO 0.00 0.29 0.00 -2.65 0.37 0.00 0.00 175.52 173.53 1qh1 n PRO 264 N -4.19 0.01 -0.15 6.66 -0.02 -1.26 -2.01 135.00 134.04 1qh1 n PRO 264 Ca -0.02 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1qh1 n PRO 264 Cb 0.34 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.49 0.39 -2.36 6.00 3.72 -0.69 -4.98 117.46 118.04 1qh1 n PHE 265 Ca 0.04 -0.19 -0.24 0.00 -0.05 0.00 0.00 57.45 57.00 1qh1 n PHE 265 Cb 0.17 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.61 2.35 -0.13 -4.37 -7.23 -0.85 -5.00 120.40 103.56 1qh1 s VAL 266 Ca 0.29 -0.41 0.19 0.00 -1.81 0.00 0.00 61.98 60.24 1qh1 s VAL 266 Cb 0.15 -2.94 -0.20 0.00 0.56 0.00 0.00 36.38 33.95 1qh1 s VAL 266 CO 0.21 0.00 0.60 0.29 -0.31 0.00 0.00 175.10 175.89 1qh1 n LYS 267 N -2.80 0.64 -3.69 4.82 4.76 0.39 -4.93 118.16 117.36 1qh1 n LYS 267 Ca 0.09 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1qh1 n LYS 267 Cb 0.60 -1.67 -0.09 0.00 -1.84 0.00 0.00 35.03 32.04 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 -5.29 -0.06 -0.16 -0.35 2.96 -1.16 -4.29 118.68 110.33 1qh1 s LEU 268 Ca -0.06 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1qh1 s LEU 268 Cb 0.10 1.80 -0.04 0.00 0.50 0.00 0.00 46.19 48.55 1qh1 s LEU 268 CO 0.84 -0.19 0.06 0.20 -1.32 0.00 0.00 176.35 175.95 1qh1 s ASN 269 N 0.40 5.67 -0.37 3.68 0.01 -0.48 -2.18 114.94 121.68 1qh1 s ASN 269 Ca -0.01 0.14 -0.04 0.00 -0.71 0.00 0.00 52.86 52.24 1qh1 s ASN 269 Cb -0.04 -1.91 0.08 0.00 0.41 0.00 0.00 41.25 39.79 1qh1 s ASN 269 CO -0.01 0.23 0.13 -0.76 -1.51 0.00 0.00 177.10 175.19 1qh1 s LEU 270 N 0.01 4.70 -0.38 0.60 1.43 -0.22 -1.88 118.68 122.94 1qh1 s LEU 270 Ca 0.06 -1.63 -0.19 0.00 -1.03 0.00 0.00 54.13 51.34 1qh1 s LEU 270 Cb -0.12 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1qh1 s LEU 270 CO 0.01 -0.43 0.55 -0.69 0.23 0.00 0.00 176.35 176.02 1qh1 s VAL 271 N 1.24 4.96 -0.16 -1.59 1.01 0.17 0.39 120.40 126.41 1qh1 s VAL 271 Ca 0.02 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 1qh1 s VAL 271 Cb -0.21 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1qh1 s VAL 271 CO -0.02 -0.35 -0.14 1.57 0.00 0.00 0.00 175.10 176.16 1qh1 n HIS 272 N 5.89 0.77 -2.87 5.22 -0.00 -0.19 -1.61 115.22 122.43 1qh1 n HIS 272 Ca -0.04 0.33 -0.43 0.00 0.46 0.00 0.00 57.72 58.04 1qh1 n HIS 272 Cb 0.48 -0.80 -0.04 0.00 -0.12 0.00 0.00 29.99 29.51 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 9.55 0.49 0.01 0.00 3.20 -1.90 -2.93 116.97 125.39 1qh1 h TYR 274 Ca -0.29 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.58 1qh1 h TYR 274 Cb 1.07 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1qh1 h TYR 274 CO 0.96 0.44 -0.20 -0.09 -1.64 0.00 0.00 178.16 177.62 1qh1 h ARG 275 N 0.41 -0.32 0.00 1.82 9.65 -1.88 -0.78 114.38 123.27 1qh1 h ARG 275 Ca 0.11 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 1qh1 h ARG 275 Cb 0.13 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1qh1 h ARG 275 CO -0.01 -0.21 -0.22 0.66 2.80 0.00 0.00 179.97 182.98 1qh1 h SER 276 N -0.33 0.00 0.00 -3.80 4.64 -1.93 -3.38 113.55 108.75 1qh1 h SER 276 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1qh1 h SER 276 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1qh1 h SER 276 CO -0.18 0.22 -0.19 0.23 -0.87 0.00 0.00 176.83 176.04 1qh1 n MET 277 N -3.20 0.43 0.24 4.77 2.81 -1.11 -4.72 117.12 116.35 1qh1 n MET 277 Ca 0.02 -0.98 0.07 0.00 -1.81 0.00 0.00 57.70 55.00 1qh1 n MET 277 Cb 0.56 -0.64 0.58 0.00 -0.71 0.00 0.00 33.22 33.01 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 0.00 0.32 7.83 7.08 -1.31 -2.81 115.58 126.69 1qh1 h ASN 278 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1qh1 h ASN 278 Cb 1.10 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.32 1qh1 h ASN 278 CO 0.00 0.09 -0.30 1.88 -2.08 0.00 0.00 177.43 177.02 1qh1 h TYR 279 N 0.00 -0.79 -0.17 4.14 0.05 -1.85 -0.12 116.97 118.23 1qh1 h TYR 279 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1qh1 h TYR 279 Cb 0.16 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1qh1 h TYR 279 CO 0.00 -0.43 -0.30 0.97 -1.05 0.00 0.00 178.16 177.35 1qh1 h ILE 280 N -0.64 1.27 -0.12 -2.88 6.09 -1.87 -1.52 117.51 117.85 1qh1 h ILE 280 Ca -0.02 -1.30 -0.00 0.00 -1.37 0.00 0.00 64.86 62.17 1qh1 h ILE 280 Cb 0.57 1.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.34 1qh1 h ILE 280 CO -0.04 0.40 0.06 0.00 -3.07 0.00 0.00 178.15 175.49 1qh1 h ALA 281 N 1.40 0.15 -0.83 0.18 0.00 -1.20 -0.20 119.26 118.76 1qh1 h ALA 281 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qh1 h ALA 281 Cb 0.68 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1qh1 h ALA 281 CO 0.05 -0.29 0.50 0.00 0.00 0.00 0.00 179.25 179.51 1qh1 h ARG 282 N 0.07 1.13 -0.48 0.00 3.08 -0.78 -1.11 114.38 116.29 1qh1 h ARG 282 Ca 0.04 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1qh1 h ARG 282 Cb 0.11 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1qh1 h ARG 282 CO -0.01 0.80 0.31 1.25 -1.07 0.00 0.00 179.97 181.25 1qh1 h HIS 283 N 1.15 0.59 -0.15 3.04 2.76 -1.14 -1.48 115.15 119.92 1qh1 h HIS 283 Ca 0.30 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 1qh1 h HIS 283 Cb -0.04 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 1qh1 h HIS 283 CO -0.00 0.36 -0.32 0.52 -1.30 0.00 0.00 177.93 177.18 1qh1 h MET 284 N 0.63 0.29 -0.10 5.26 2.86 -0.45 0.15 114.93 123.57 1qh1 h MET 284 Ca 0.18 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1qh1 h MET 284 Cb -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1qh1 h MET 284 CO -0.05 0.59 0.07 1.49 1.06 0.00 0.00 176.91 180.06 1qh1 h GLU 285 N 0.26 0.14 -0.24 1.72 4.22 -0.76 -0.62 114.58 119.29 1qh1 h GLU 285 Ca 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1qh1 h GLU 285 Cb 0.70 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1qh1 h GLU 285 CO 0.05 0.10 0.07 1.49 -2.18 0.00 0.00 179.01 178.55 1qh1 h GLU 286 N 0.13 0.38 0.14 1.92 4.57 -0.83 -2.56 114.58 118.33 1qh1 h GLU 286 Ca 0.04 -0.08 -0.35 0.00 -1.18 0.00 0.00 59.36 57.78 1qh1 h GLU 286 Cb -0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1qh1 h GLU 286 CO -0.01 0.47 -1.86 -0.22 -1.18 0.00 0.00 179.01 176.21 1qh1 h LYS 287 N 0.23 0.30 -0.14 1.92 3.64 -1.07 -3.40 116.57 118.05 1qh1 h LYS 287 Ca 0.08 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1qh1 h LYS 287 Cb 0.25 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1qh1 h LYS 287 CO -0.00 1.22 0.00 0.72 -2.27 0.00 0.00 179.45 179.11 1qh1 n HIS 288 N -3.50 0.18 -3.86 1.91 8.25 -0.27 -5.00 115.22 112.93 1qh1 n HIS 288 Ca -0.27 -0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 56.65 1qh1 n HIS 288 Cb 1.06 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 32.19 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 0.41 -5.96 -3.47 -0.41 3.00 -0.96 -4.97 117.38 105.02 1qh1 n GLN 289 Ca 0.07 0.64 -0.39 0.00 -0.01 0.00 0.00 57.00 57.32 1qh1 n GLN 289 Cb 0.30 -5.56 -0.10 0.00 0.00 0.00 0.00 30.24 24.89 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 -3.31 5.23 0.81 5.09 1.01 -1.03 -4.96 121.20 124.03 1qh1 s ILE 290 Ca 0.64 0.42 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 1qh1 s ILE 290 Cb -0.31 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.61 1qh1 s ILE 290 CO 0.81 0.20 1.15 -2.16 0.00 0.00 0.00 174.94 174.94 1qh1 s PRO 291 N 1.89 1.79 0.07 2.79 0.04 -1.26 -3.29 135.00 137.03 1qh1 s PRO 291 Ca 0.12 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 1qh1 s PRO 291 Cb -0.16 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1qh1 s PRO 291 CO 0.10 -2.05 0.00 1.67 0.04 0.00 0.00 177.00 176.77 1qh1 s TRP 292 N -2.50 0.56 -0.04 0.56 1.48 -1.26 -1.38 118.94 116.37 1qh1 s TRP 292 Ca 0.67 -1.07 -0.19 0.00 -1.06 0.00 0.00 56.10 54.46 1qh1 s TRP 292 Cb -0.23 -0.38 0.04 0.00 -1.16 0.00 0.00 33.47 31.73 1qh1 s TRP 292 CO 0.52 -0.42 0.41 0.00 -4.06 0.00 0.00 176.95 173.40 1qh1 s MET 293 N -3.94 0.75 0.35 3.25 0.23 -0.79 -4.95 119.30 114.19 1qh1 s MET 293 Ca 0.10 -0.01 -0.21 0.00 -1.03 0.00 0.00 55.69 54.54 1qh1 s MET 293 Cb 0.08 0.34 -0.10 0.00 -1.53 0.00 0.00 34.83 33.62 1qh1 s MET 293 CO -0.08 -0.21 0.87 -1.21 -2.03 0.00 0.00 175.02 172.36 1qh1 s GLU 294 N -1.16 4.27 0.25 3.16 2.02 -1.26 -0.66 118.70 125.33 1qh1 s GLU 294 Ca -0.12 1.04 -0.11 0.00 0.02 0.00 0.00 54.97 55.80 1qh1 s GLU 294 Cb -0.04 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 1qh1 s GLU 294 CO 0.05 0.15 0.45 1.52 0.02 0.00 0.00 175.26 177.46 1qh1 s TYR 295 N -1.90 0.50 -0.11 1.61 1.13 -0.63 -4.92 117.35 113.03 1qh1 s TYR 295 Ca 0.54 -0.84 -0.04 0.00 -1.41 0.00 0.00 57.07 55.32 1qh1 s TYR 295 Cb -0.13 0.11 0.06 0.00 -1.10 0.00 0.00 41.96 40.89 1qh1 s TYR 295 CO 0.18 -0.99 0.21 1.21 -2.51 0.00 0.00 175.55 173.66 1qh1 s ASN 296 N -3.05 0.57 -0.32 -0.18 3.84 -1.26 -4.58 114.94 109.96 1qh1 s ASN 296 Ca 0.25 0.45 0.08 0.00 0.21 0.00 0.00 52.86 53.85 1qh1 s ASN 296 Cb 0.00 0.49 0.55 0.00 -0.55 0.00 0.00 41.25 41.73 1qh1 s ASN 296 CO 0.10 -0.24 1.56 0.49 -2.79 0.00 0.00 177.10 176.22 1qh1 n PHE 297 N 5.34 1.50 -3.31 0.43 3.01 -1.26 -3.43 117.46 119.73 1qh1 n PHE 297 Ca -0.05 -1.61 -0.43 0.00 1.01 0.00 0.00 57.45 56.37 1qh1 n PHE 297 Cb 0.50 -0.58 -0.08 0.00 -0.01 0.00 0.00 39.48 39.31 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 -3.23 3.17 0.00 1.38 0.08 -1.26 -0.56 117.98 117.55 1qh1 s PHE 298 Ca 0.47 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1qh1 s PHE 298 Cb 0.42 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 1qh1 s PHE 298 CO 0.03 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.81 1qh1 n GLY 299 N 5.13 -1.87 0.21 4.36 0.00 -1.26 -3.55 105.19 108.21 1qh1 n GLY 299 Ca -0.08 -1.52 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 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 0.26 -0.30 1.61 0.13 -1.91 -1.11 132.00 130.67 1qh1 h PRO 300 Ca 0.00 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 1qh1 h PRO 300 Cb 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 1qh1 h PRO 300 CO 0.00 0.59 -0.11 1.15 -0.23 0.00 0.00 178.00 179.39 1qh1 h THR 301 N 0.22 1.29 0.01 1.56 2.02 -1.89 -0.81 112.91 115.30 1qh1 h THR 301 Ca 0.03 -1.19 -0.20 0.00 0.77 0.00 0.00 66.41 65.82 1qh1 h THR 301 Cb 0.74 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1qh1 h THR 301 CO 0.06 0.38 -0.89 0.11 0.37 0.00 0.00 175.52 175.55 1qh1 h LYS 302 N 0.35 0.19 -0.70 6.66 1.79 -1.70 -2.54 116.57 120.61 1qh1 h LYS 302 Ca 0.07 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 1qh1 h LYS 302 Cb 0.62 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1qh1 h LYS 302 CO 0.04 0.96 0.29 0.82 -1.08 0.00 0.00 179.45 180.48 1qh1 h ILE 303 N 0.10 1.24 -0.48 1.86 2.04 -1.04 -0.56 117.51 120.67 1qh1 h ILE 303 Ca -0.04 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.94 1qh1 h ILE 303 Cb 1.52 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1qh1 h ILE 303 CO 0.13 0.30 -0.19 0.00 0.00 0.00 0.00 178.15 178.40 1qh1 h ALA 304 N 1.14 0.67 -0.46 1.87 0.00 -1.05 0.18 119.26 121.61 1qh1 h ALA 304 Ca 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1qh1 h ALA 304 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1qh1 h ALA 304 CO -0.02 0.64 0.29 1.49 0.00 0.00 0.00 179.25 181.65 1qh1 h GLU 305 N 0.83 0.57 -0.04 0.00 4.81 -1.37 -1.44 114.58 117.94 1qh1 h GLU 305 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1qh1 h GLU 305 Cb 0.77 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1qh1 h GLU 305 CO 0.06 0.38 -0.00 0.77 -0.73 0.00 0.00 179.01 179.49 1qh1 h SER 306 N 0.59 0.07 -0.68 1.04 0.02 -0.68 -1.41 113.55 112.50 1qh1 h SER 306 Ca 0.17 -0.33 0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1qh1 h SER 306 Cb -0.04 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1qh1 h SER 306 CO -0.05 0.38 0.45 -0.07 -1.14 0.00 0.00 176.83 176.39 1qh1 h LEU 307 N -0.24 0.52 -0.07 5.07 3.38 -0.81 0.64 115.31 123.80 1qh1 h LEU 307 Ca 0.01 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1qh1 h LEU 307 Cb 0.34 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1qh1 h LEU 307 CO 0.00 0.32 -0.99 0.03 0.09 0.00 0.00 178.44 177.89 1qh1 h ARG 308 N 0.58 0.63 -0.03 1.13 3.08 -1.12 -0.64 114.38 118.02 1qh1 h ARG 308 Ca 0.31 -0.66 -0.17 0.00 0.07 0.00 0.00 59.98 59.53 1qh1 h ARG 308 Cb 0.44 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1qh1 h ARG 308 CO -0.10 1.26 -0.73 -0.22 -1.07 0.00 0.00 179.97 179.11 1qh1 h LYS 309 N 0.37 0.17 -0.34 0.04 3.64 -0.96 -1.28 116.57 118.21 1qh1 h LYS 309 Ca -0.11 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 1qh1 h LYS 309 Cb 1.63 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1qh1 h LYS 309 CO 0.19 0.83 -0.18 0.82 -2.27 0.00 0.00 179.45 178.83 1qh1 h ILE 310 N 0.11 1.29 0.00 2.00 2.04 -0.71 -2.72 117.51 119.53 1qh1 h ILE 310 Ca -0.02 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 1qh1 h ILE 310 Cb 1.29 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1qh1 h ILE 310 CO 0.11 0.43 -0.19 0.00 0.00 0.00 0.00 178.15 178.49 1qh1 h ALA 311 N 0.78 1.13 0.00 1.87 0.00 -0.91 -2.25 119.26 119.88 1qh1 h ALA 311 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1qh1 h ALA 311 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1qh1 h ALA 311 CO 0.05 0.24 0.00 -3.47 0.00 0.00 0.00 179.25 176.07 1qh1 n ASP 312 N -3.51 0.00 -0.18 0.00 2.03 -0.50 -1.41 116.55 112.98 1qh1 n ASP 312 Ca -0.01 -0.28 0.13 0.00 0.52 0.00 0.00 54.79 55.16 1qh1 n ASP 312 Cb 0.35 -0.23 0.42 0.00 -0.72 0.00 0.00 41.12 40.94 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 -1.23 0.70 0.00 -0.67 1.13 -0.85 -4.81 117.38 111.64 1qh1 n GLN 313 Ca 0.15 -0.37 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 1qh1 n GLN 313 Cb 0.20 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.83 0.00 -4.16 1.08 3.72 -0.50 -5.15 117.46 111.62 1qh1 n PHE 314 Ca 0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1qh1 n PHE 314 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 1qh1 n PHE 314 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1qh1 n ASP 315 N 0.00 -0.83 0.26 4.37 5.68 -1.25 -5.05 116.55 119.72 1qh1 n ASP 315 Ca 0.00 -2.85 0.11 0.00 -0.50 0.00 0.00 54.79 51.56 1qh1 n ASP 315 Cb 0.00 1.75 0.70 0.00 -1.14 0.00 0.00 41.12 42.43 1qh1 n ASP 315 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1qh1 h ASP 316 N 1.79 0.00 -0.19 -1.12 3.32 -1.99 -2.06 116.42 116.17 1qh1 h ASP 316 Ca -0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1qh1 h ASP 316 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1qh1 h ASP 316 CO 0.31 0.12 0.07 0.74 -1.72 0.00 0.00 179.24 178.76 1qh1 h THR 317 N 0.00 1.17 -0.48 0.35 2.02 -1.97 -1.62 112.91 112.39 1qh1 h THR 317 Ca -0.00 -0.52 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 1qh1 h THR 317 Cb 0.31 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1qh1 h THR 317 CO 0.02 0.17 -0.20 0.40 0.37 0.00 0.00 175.52 176.27 1qh1 h ILE 318 N 0.14 1.27 -0.47 3.11 1.08 -1.77 -1.62 117.51 119.25 1qh1 h ILE 318 Ca 0.06 -1.36 0.07 0.00 -0.39 0.00 0.00 64.86 63.25 1qh1 h ILE 318 Cb 0.19 1.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 1qh1 h ILE 318 CO -0.00 0.47 0.11 0.03 -0.69 0.00 0.00 178.15 178.07 1qh1 h ARG 319 N 0.84 0.25 -0.47 2.37 3.08 -1.30 0.10 114.38 119.26 1qh1 h ARG 319 Ca 0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1qh1 h ARG 319 Cb 0.77 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1qh1 h ARG 319 CO 0.06 0.17 0.15 0.00 -1.07 0.00 0.00 179.97 179.28 1qh1 h ALA 320 N 1.35 1.40 -0.30 0.04 0.00 -1.14 -2.71 119.26 117.90 1qh1 h ALA 320 Ca 0.23 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1qh1 h ALA 320 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qh1 h ALA 320 CO -0.28 0.45 -0.28 -0.91 0.00 0.00 0.00 179.25 178.22 1qh1 h ASN 321 N 0.67 0.63 -0.54 0.00 2.35 -0.29 -1.47 115.58 116.93 1qh1 h ASN 321 Ca 0.16 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1qh1 h ASN 321 Cb 0.19 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1qh1 h ASN 321 CO -0.01 0.89 0.31 0.00 -1.65 0.00 0.00 177.43 176.97 1qh1 h ALA 322 N 1.16 0.69 -0.85 -0.83 0.00 -0.53 0.33 119.26 119.23 1qh1 h ALA 322 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qh1 h ALA 322 Cb 0.76 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1qh1 h ALA 322 CO 0.06 0.20 0.47 0.93 0.00 0.00 0.00 179.25 180.91 1qh1 h GLU 323 N 0.73 1.18 -0.16 0.00 4.39 -1.23 -1.31 114.58 118.17 1qh1 h GLU 323 Ca 0.19 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 1qh1 h GLU 323 Cb 0.02 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1qh1 h GLU 323 CO -0.03 0.86 -0.47 0.00 -1.16 0.00 0.00 179.01 178.20 1qh1 h ALA 324 N 1.25 0.88 -0.15 3.43 0.00 -0.65 -1.30 119.26 122.72 1qh1 h ALA 324 Ca 0.30 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1qh1 h ALA 324 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qh1 h ALA 324 CO -0.05 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.04 1qh1 h VAL 325 N 0.34 1.32 -0.78 0.00 2.07 -0.70 -0.26 116.25 118.24 1qh1 h VAL 325 Ca 0.02 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1qh1 h VAL 325 Cb 0.96 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1qh1 h VAL 325 CO 0.08 0.34 0.47 0.40 0.02 0.00 0.00 177.57 178.89 1qh1 h ILE 326 N -0.00 1.22 -0.22 4.57 2.04 -1.18 -2.31 117.51 121.63 1qh1 h ILE 326 Ca 0.03 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1qh1 h ILE 326 Cb 0.58 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1qh1 h ILE 326 CO 0.03 0.23 -0.14 0.00 0.00 0.00 0.00 178.15 178.27 1qh1 h ALA 327 N 1.25 1.37 -0.15 1.87 0.00 -0.96 -2.23 119.26 120.41 1qh1 h ALA 327 Ca 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1qh1 h ALA 327 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1qh1 h ALA 327 CO -0.05 0.43 -0.15 -0.09 0.00 0.00 0.00 179.25 179.39 1qh1 h ARG 328 N 0.33 0.24 -0.09 0.00 2.43 -0.50 -2.83 114.38 113.96 1qh1 h ARG 328 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qh1 h ARG 328 Cb 0.45 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1qh1 h ARG 328 CO 0.03 0.40 0.00 0.66 -1.51 0.00 0.00 179.97 179.54 1qh1 n TYR 329 N -4.25 0.09 -0.10 2.20 4.01 -1.01 -4.55 117.16 113.55 1qh1 n TYR 329 Ca -0.01 -0.05 -0.06 0.00 -0.16 0.00 0.00 57.90 57.62 1qh1 n TYR 329 Cb 0.28 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 1qh1 n TYR 329 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1qh1 h GLU 330 N 4.49 0.23 -0.02 -0.72 3.07 -1.14 0.17 114.58 120.65 1qh1 h GLU 330 Ca 0.00 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.88 1qh1 h GLU 330 Cb 0.96 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.78 1qh1 h GLU 330 CO 0.00 0.15 -0.19 0.78 -1.40 0.00 0.00 179.01 178.35 1qh1 h GLY 331 N 0.23 -0.25 0.65 -3.84 0.00 -1.80 0.46 103.07 98.53 1qh1 h GLY 331 Ca 0.15 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1qh1 h GLY 331 CO -0.17 -0.18 -0.05 -1.61 0.00 0.00 0.00 176.54 174.53 1qh1 h GLN 332 N -0.30 -0.02 -0.45 4.80 4.15 -1.72 -1.12 115.11 120.45 1qh1 h GLN 332 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.52 1qh1 h GLN 332 Cb 0.39 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1qh1 h GLN 332 CO -0.19 -0.01 0.22 0.52 -1.93 0.00 0.00 178.83 177.44 1qh1 h MET 333 N -0.02 0.43 -0.28 1.69 2.86 -0.78 -1.73 114.93 117.11 1qh1 h MET 333 Ca 0.08 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1qh1 h MET 333 Cb 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1qh1 h MET 333 CO -0.18 0.29 0.03 0.00 1.06 0.00 0.00 176.91 178.11 1qh1 h ALA 334 N 1.24 1.53 -0.08 6.32 0.00 -0.67 -1.35 119.26 126.25 1qh1 h ALA 334 Ca 0.19 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1qh1 h ALA 334 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qh1 h ALA 334 CO -0.14 0.35 -0.71 0.00 0.00 0.00 0.00 179.25 178.75 1qh1 h ALA 335 N 1.63 0.62 -0.39 0.00 0.00 -0.84 -0.65 119.26 119.64 1qh1 h ALA 335 Ca 0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1qh1 h ALA 335 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qh1 h ALA 335 CO 0.00 0.76 -0.12 0.82 0.00 0.00 0.00 179.25 180.71 1qh1 h ILE 336 N 0.27 1.28 -0.29 0.00 2.04 -0.93 -1.28 117.51 118.60 1qh1 h ILE 336 Ca -0.03 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 1qh1 h ILE 336 Cb 1.28 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1qh1 h ILE 336 CO 0.12 0.41 -0.07 0.40 0.00 0.00 0.00 178.15 179.00 1qh1 h ILE 337 N 0.58 1.28 -0.26 -0.67 2.04 -1.19 -0.56 117.51 118.73 1qh1 h ILE 337 Ca 0.10 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1qh1 h ILE 337 Cb 0.65 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1qh1 h ILE 337 CO 0.04 0.35 0.08 0.00 0.00 0.00 0.00 178.15 178.62 1qh1 h ALA 338 N 0.78 1.65 0.05 1.87 0.00 -0.96 -0.37 119.26 122.29 1qh1 h ALA 338 Ca 0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1qh1 h ALA 338 Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1qh1 h ALA 338 CO 0.03 0.27 -0.60 -0.22 0.00 0.00 0.00 179.25 178.73 1qh1 h LYS 339 N 0.36 0.32 0.00 0.00 3.64 -1.00 -3.42 116.57 116.48 1qh1 h LYS 339 Ca 0.09 -0.41 -0.18 0.00 -1.27 0.00 0.00 60.65 58.88 1qh1 h LYS 339 Cb 0.12 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1qh1 h LYS 339 CO -0.01 1.12 -2.11 0.66 -2.27 0.00 0.00 179.45 176.84 1qh1 n TYR 340 N -4.24 0.00 -0.32 1.91 4.01 -0.24 -4.40 117.16 113.87 1qh1 n TYR 340 Ca -0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.58 1qh1 n TYR 340 Cb 0.69 -0.70 0.08 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.21 0.00 -0.72 2.43 -1.23 0.19 114.38 116.26 1qh1 h ARG 341 Ca -0.27 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1qh1 h ARG 341 Cb 1.57 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1qh1 h ARG 341 CO 0.01 0.89 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.97 1qh1 h PRO 342 N 1.21 0.00 0.00 0.20 0.11 -1.77 0.34 132.00 132.10 1qh1 h PRO 342 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1qh1 h PRO 342 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1qh1 h PRO 342 CO -0.05 0.05 -0.54 0.54 -0.21 0.00 0.00 178.00 177.79 1qh1 n ARG 343 N -3.51 0.22 0.00 1.05 1.74 0.02 -4.29 116.66 111.89 1qh1 n ARG 343 Ca -0.02 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1qh1 n ARG 343 Cb 0.16 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.97 0.00 -4.58 0.55 4.77 -0.65 -4.95 117.00 110.16 1qh1 n LEU 344 Ca 0.04 0.00 -0.55 0.00 -0.03 0.00 0.00 56.01 55.47 1qh1 n LEU 344 Cb 0.41 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1qh1 n LEU 344 CO 0.35 0.00 0.86 1.21 -1.33 0.00 0.00 177.39 178.48 1qh1 n GLU 345 N -1.12 0.81 0.00 3.23 2.13 0.11 -1.72 120.64 124.08 1qh1 n GLU 345 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1qh1 n GLU 345 Cb 0.02 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1qh1 n GLU 345 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qh1 n GLY 346 N 2.43 1.82 3.79 8.31 0.00 -0.40 -4.96 105.19 116.18 1qh1 n GLY 346 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.47 3.95 -0.09 1.61 1.81 -0.70 -4.78 118.95 120.29 1qh1 s ARG 347 Ca 0.00 1.40 -0.01 0.00 -1.72 0.00 0.00 55.73 55.40 1qh1 s ARG 347 Cb 0.00 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.22 1qh1 s ARG 347 CO 0.00 -0.31 -0.02 0.15 -0.68 0.00 0.00 175.30 174.44 1qh1 s LYS 348 N -2.98 2.99 -0.04 3.54 3.01 -1.26 -0.86 119.74 124.14 1qh1 s LYS 348 Ca 0.64 -0.46 0.04 0.00 -1.01 0.00 0.00 55.97 55.18 1qh1 s LYS 348 Cb -0.18 -2.75 -0.00 0.00 -1.01 0.00 0.00 37.83 33.89 1qh1 s LYS 348 CO 0.22 0.64 -0.17 0.08 0.51 0.00 0.00 175.35 176.63 1qh1 s VAL 349 N -0.73 1.41 -0.16 3.17 1.01 0.42 -0.67 120.40 124.87 1qh1 s VAL 349 Ca 0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1qh1 s VAL 349 Cb -0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1qh1 s VAL 349 CO 0.02 0.41 0.00 -0.22 0.00 0.00 0.00 175.10 175.31 1qh1 s LEU 350 N -0.04 3.48 -0.08 3.92 0.20 -0.82 -0.84 118.68 124.50 1qh1 s LEU 350 Ca -0.02 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.81 1qh1 s LEU 350 Cb -0.11 -1.85 -0.00 0.00 -0.43 0.00 0.00 46.19 43.80 1qh1 s LEU 350 CO 0.02 0.19 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.29 1qh1 s LEU 351 N 0.28 1.98 -0.26 -0.68 1.43 -0.65 -1.27 118.68 119.51 1qh1 s LEU 351 Ca -0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1qh1 s LEU 351 Cb -0.13 -1.23 0.10 0.00 0.03 0.00 0.00 46.19 44.96 1qh1 s LEU 351 CO 0.02 0.15 0.17 -0.47 0.23 0.00 0.00 176.35 176.45 1qh1 s TYR 352 N 0.25 0.05 0.00 0.29 5.04 -0.45 -0.88 117.35 121.65 1qh1 s TYR 352 Ca -0.13 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1qh1 s TYR 352 Cb -0.16 -0.69 0.00 0.00 0.35 0.00 0.00 41.96 41.46 1qh1 s TYR 352 CO 0.06 -0.76 0.00 -1.33 -1.34 0.00 0.00 175.55 172.18 1qh1 n MET 353 N 5.28 0.00 0.00 4.97 2.81 -1.10 -4.23 117.12 124.85 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 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 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 0.26 0.00 3.03 0.00 -1.26 -1.06 105.19 106.16 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 1.73 -0.58 2.06 -0.02 0.00 -1.26 -2.03 105.19 105.10 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 -0.01 -1.18 -0.02 0.99 7.94 -1.26 -4.61 117.00 118.85 1qh1 n LEU 356 Ca 0.00 0.43 0.17 0.00 -1.11 0.00 0.00 56.01 55.50 1qh1 n LEU 356 Cb 0.34 1.26 0.63 0.00 0.53 0.00 0.00 43.42 46.18 1qh1 n LEU 356 CO 0.00 -0.40 1.18 0.03 -1.11 0.00 0.00 177.39 177.09 1qh1 h ARG 357 N 0.00 0.12 -0.85 1.96 3.08 -1.95 -1.21 114.38 115.53 1qh1 h ARG 357 Ca 0.00 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.23 1qh1 h ARG 357 Cb 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1qh1 h ARG 357 CO 0.00 0.08 0.57 -1.35 -1.07 0.00 0.00 179.97 178.20 1qh1 h PRO 358 N 0.12 0.37 0.01 0.04 0.11 -1.90 -2.23 132.00 128.52 1qh1 h PRO 358 Ca 0.25 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.98 1qh1 h PRO 358 Cb 0.84 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.80 1qh1 h PRO 358 CO -0.03 0.25 -2.28 2.89 -0.21 0.00 0.00 178.00 178.62 1qh1 n ARG 359 N -4.49 0.68 0.13 1.05 1.85 -0.82 -4.60 116.66 110.46 1qh1 n ARG 359 Ca 0.18 0.08 0.02 0.00 -1.00 0.00 0.00 57.85 57.13 1qh1 n ARG 359 Cb 0.66 -1.57 0.39 0.00 -1.05 0.00 0.00 32.46 30.88 1qh1 n ARG 359 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1qh1 h HIS 360 N 0.00 0.21 -0.00 2.89 3.86 -0.68 -2.55 115.15 118.87 1qh1 h HIS 360 Ca -0.51 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1qh1 h HIS 360 Cb 2.14 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 30.55 1qh1 h HIS 360 CO 0.01 0.37 -0.11 1.33 0.86 0.00 0.00 177.93 180.39 1qh1 n VAL 361 N -4.25 0.00 -0.24 2.45 0.24 -0.89 -4.36 118.33 111.28 1qh1 n VAL 361 Ca -0.01 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1qh1 n VAL 361 Cb 0.29 -0.04 0.05 0.00 -1.47 0.00 0.00 33.84 32.66 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 0.69 1.19 -0.95 1.34 2.04 -1.71 -2.16 117.51 117.95 1qh1 h ILE 362 Ca 0.00 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.55 1qh1 h ILE 362 Cb 0.36 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1qh1 h ILE 362 CO 0.00 0.19 0.59 1.23 0.00 0.00 0.00 178.15 180.16 1qh1 h GLY 363 N 0.90 1.49 1.13 5.37 0.00 -1.80 -1.16 103.07 108.99 1qh1 h GLY 363 Ca 0.24 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1qh1 h GLY 363 CO -0.05 0.22 0.25 0.00 0.00 0.00 0.00 176.54 176.96 1qh1 h ALA 364 N 1.48 1.07 -0.61 3.60 0.00 -1.45 -0.58 119.26 122.77 1qh1 h ALA 364 Ca 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1qh1 h ALA 364 Cb 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1qh1 h ALA 364 CO -0.22 0.64 0.39 1.88 0.00 0.00 0.00 179.25 181.94 1qh1 h TYR 365 N 1.06 0.77 0.00 0.00 0.05 -1.01 -2.71 116.97 115.14 1qh1 h TYR 365 Ca 0.24 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 1qh1 h TYR 365 Cb 0.27 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1qh1 h TYR 365 CO 0.02 0.50 -0.26 0.93 -1.05 0.00 0.00 178.16 178.30 1qh1 h GLU 366 N 0.82 0.00 0.00 4.88 5.08 -0.80 -0.27 114.58 124.29 1qh1 h GLU 366 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1qh1 h GLU 366 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1qh1 h GLU 366 CO -0.05 0.26 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.78 1qh1 h ASP 367 N 0.00 0.00 -0.44 1.42 3.32 -0.80 -0.46 116.42 119.46 1qh1 h ASP 367 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1qh1 h ASP 367 Cb 0.60 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1qh1 h ASP 367 CO 0.03 0.01 0.06 0.18 -1.72 0.00 0.00 179.24 177.80 1qh1 n LEU 368 N -3.11 4.75 0.00 1.55 4.77 -0.70 -4.91 117.00 119.37 1qh1 n LEU 368 Ca 0.00 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1qh1 n LEU 368 Cb 0.28 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1qh1 n LEU 368 CO 0.27 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1qh1 n GLY 369 N -0.35 0.29 3.88 -0.72 0.00 -0.18 -3.25 105.19 104.86 1qh1 n GLY 369 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.87 3.71 -0.08 1.61 -1.94 -0.20 -1.28 119.30 120.26 1qh1 s MET 370 Ca 0.00 0.45 0.04 0.00 -1.71 0.00 0.00 55.69 54.47 1qh1 s MET 370 Cb 0.00 -2.35 -0.00 0.00 2.01 0.00 0.00 34.83 34.49 1qh1 s MET 370 CO 0.00 -0.14 -0.22 -1.21 -0.01 0.00 0.00 175.02 173.44 1qh1 s GLU 371 N -4.21 2.57 -0.06 2.03 2.02 -0.04 -3.86 118.70 117.14 1qh1 s GLU 371 Ca 0.51 -0.79 -0.21 0.00 0.02 0.00 0.00 54.97 54.50 1qh1 s GLU 371 Cb -0.10 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1qh1 s GLU 371 CO 0.37 0.23 0.60 0.42 0.02 0.00 0.00 175.26 176.89 1qh1 s ILE 372 N 0.20 5.05 -0.37 -1.63 1.09 -1.26 -0.43 121.20 123.84 1qh1 s ILE 372 Ca -0.12 1.23 0.08 0.00 -1.10 0.00 0.00 60.65 60.74 1qh1 s ILE 372 Cb -0.16 -3.94 -0.09 0.00 -1.06 0.00 0.00 42.46 37.21 1qh1 s ILE 372 CO 0.06 0.32 0.34 2.30 -0.10 0.00 0.00 174.94 177.87 1qh1 n ILE 373 N 3.44 0.00 -3.61 2.92 -5.35 -0.02 -4.76 119.36 111.97 1qh1 n ILE 373 Ca -0.05 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 1qh1 n ILE 373 Cb 0.51 0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 39.32 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 -1.81 -1.84 -0.05 -1.28 0.00 -1.24 -3.42 121.76 112.11 1qh1 s ALA 374 Ca 0.03 1.86 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1qh1 s ALA 374 Cb 0.06 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1qh1 s ALA 374 CO 0.34 -0.31 0.12 0.00 0.00 0.00 0.00 175.76 175.91 1qh1 s ALA 375 N 0.02 -0.23 0.13 0.00 0.00 -0.44 -1.64 121.76 119.61 1qh1 s ALA 375 Ca -0.01 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.42 1qh1 s ALA 375 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1qh1 s ALA 375 CO 0.00 -0.13 0.23 0.20 0.00 0.00 0.00 175.76 176.06 1qh1 s GLY 376 N 0.90 0.35 0.09 0.00 0.00 -0.06 -1.88 107.32 106.72 1qh1 s GLY 376 Ca -0.07 -0.82 0.07 0.00 0.00 0.00 0.00 44.72 43.91 1qh1 s GLY 376 CO -0.04 -0.86 -0.19 -0.19 0.00 0.00 0.00 173.10 171.81 1qh1 s TYR 377 N -3.93 1.65 0.05 1.90 1.51 -1.00 -2.70 117.35 114.84 1qh1 s TYR 377 Ca 0.13 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.56 1qh1 s TYR 377 Cb 0.04 -0.92 -0.12 0.00 -0.11 0.00 0.00 41.96 40.84 1qh1 s TYR 377 CO -0.04 0.15 1.44 0.93 -1.11 0.00 0.00 175.55 176.92 1qh1 h GLU 378 N 4.26 0.31 0.00 -0.62 5.08 -0.62 0.39 114.58 123.39 1qh1 h GLU 378 Ca -0.44 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1qh1 h GLU 378 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1qh1 h GLU 378 CO 0.40 0.59 -0.26 1.97 -1.00 0.00 0.00 179.01 180.72 1qh1 n PHE 379 N -4.68 0.00 -0.85 4.33 1.16 -0.86 -3.73 117.46 112.83 1qh1 n PHE 379 Ca -0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.22 1qh1 n PHE 379 Cb 0.26 0.03 0.16 0.00 -1.61 0.00 0.00 39.48 38.32 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 1.43 0.50 1.98 0.00 -1.22 -4.71 121.76 119.74 1qh1 s ALA 380 Ca 0.00 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1qh1 s ALA 380 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1qh1 s ALA 380 CO 0.00 -2.63 0.46 -1.01 0.00 0.00 0.00 175.76 172.58 1qh1 s HIS 381 N -2.71 2.01 0.51 0.00 3.76 -1.26 -3.45 115.29 114.15 1qh1 s HIS 381 Ca 0.65 -0.69 0.24 0.00 -0.15 0.00 0.00 55.06 55.11 1qh1 s HIS 381 Cb -0.21 -2.07 1.48 0.00 1.11 0.00 0.00 32.58 32.89 1qh1 s HIS 381 CO 0.58 -0.46 2.14 -0.91 -0.85 0.00 0.00 174.74 175.25 1qh1 h ASN 382 N 0.76 0.00 0.77 1.40 4.21 -1.96 -0.58 115.58 120.18 1qh1 h ASN 382 Ca -0.37 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.09 1qh1 h ASN 382 Cb 1.29 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.48 1qh1 h ASN 382 CO 0.54 0.06 -0.24 -2.24 -1.29 0.00 0.00 177.43 174.26 1qh1 h ASP 383 N 0.00 0.00 -0.11 5.81 3.04 -1.99 0.19 116.42 123.35 1qh1 h ASP 383 Ca -0.00 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.57 1qh1 h ASP 383 Cb 0.14 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.44 1qh1 h ASP 383 CO 0.01 0.24 -0.75 0.44 -2.04 0.00 0.00 179.24 177.14 1qh1 h ASP 384 N 0.00 0.90 -0.62 4.15 3.32 -1.50 -2.44 116.42 120.23 1qh1 h ASP 384 Ca -0.00 -0.58 -0.08 0.00 0.02 0.00 0.00 57.03 56.39 1qh1 h ASP 384 Cb 0.69 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1qh1 h ASP 384 CO 0.03 1.37 0.08 1.88 -1.72 0.00 0.00 179.24 180.88 1qh1 h TYR 385 N 0.53 1.11 -0.75 4.55 0.05 -0.93 -1.94 116.97 119.58 1qh1 h TYR 385 Ca -0.04 -0.16 0.12 0.00 0.05 0.00 0.00 58.73 58.69 1qh1 h TYR 385 Cb 1.38 -0.30 -0.08 0.00 1.01 0.00 0.00 36.73 38.73 1qh1 h TYR 385 CO 0.08 0.96 0.35 -0.44 -1.05 0.00 0.00 178.16 178.05 1qh1 h ASP 386 N 0.94 0.40 0.82 3.88 3.32 -0.66 -1.80 116.42 123.32 1qh1 h ASP 386 Ca 0.18 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1qh1 h ASP 386 Cb 0.46 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1qh1 h ASP 386 CO 0.02 0.20 0.00 0.03 -1.72 0.00 0.00 179.24 177.76 1qh1 h ARG 387 N 0.54 0.00 0.05 3.56 3.08 -0.97 -2.97 114.38 117.68 1qh1 h ARG 387 Ca 0.39 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.19 1qh1 h ARG 387 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1qh1 h ARG 387 CO -0.34 0.00 -1.27 1.15 -1.07 0.00 0.00 179.97 178.45 1qh1 h THR 388 N 0.00 1.43 -0.99 2.04 2.02 -0.57 -3.40 112.91 113.44 1qh1 h THR 388 Ca 0.00 -3.11 0.19 0.00 0.77 0.00 0.00 66.41 64.25 1qh1 h THR 388 Cb 0.41 2.79 -0.11 0.00 -1.74 0.00 0.00 68.15 69.51 1qh1 h THR 388 CO 0.00 0.86 0.59 -0.07 0.37 0.00 0.00 175.52 177.27 1qh1 h LEU 389 N 0.03 0.76 -2.24 2.58 3.38 -1.40 -2.26 115.31 116.16 1qh1 h LEU 389 Ca -0.13 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1qh1 h LEU 389 Cb 1.90 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1qh1 h LEU 389 CO 0.15 0.27 -0.05 -0.65 0.09 0.00 0.00 178.44 178.25 1qh1 h PRO 390 N 0.75 0.00 -0.45 1.13 0.11 -1.78 -2.90 132.00 128.86 1qh1 h PRO 390 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1qh1 h PRO 390 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1qh1 h PRO 390 CO -0.38 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 177.21 1qh1 n ASP 391 N -3.48 3.70 -4.70 -2.05 8.00 -0.85 -4.96 116.55 112.21 1qh1 n ASP 391 Ca -0.02 -2.31 -0.34 0.00 0.71 0.00 0.00 54.79 52.83 1qh1 n ASP 391 Cb 0.17 -0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.56 3.63 0.45 0.64 1.43 -1.10 -4.98 118.68 117.18 1qh1 s LEU 392 Ca 0.37 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 1qh1 s LEU 392 Cb 0.23 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 1qh1 s LEU 392 CO 0.19 0.33 1.05 -0.54 0.23 0.00 0.00 176.35 177.61 1qh1 s LYS 393 N -1.22 3.94 0.22 1.70 -0.14 -1.26 -4.76 119.74 118.23 1qh1 s LYS 393 Ca 0.17 1.44 -0.32 0.00 -1.36 0.00 0.00 55.97 55.90 1qh1 s LYS 393 Cb -0.11 -2.28 -0.14 0.00 -1.68 0.00 0.00 37.83 33.61 1qh1 s LYS 393 CO 0.06 -0.32 1.35 -1.91 -0.76 0.00 0.00 175.35 173.78 1qh1 n GLU 394 N -0.59 1.84 -0.12 1.68 2.13 -1.26 -2.18 120.64 122.13 1qh1 n GLU 394 Ca 0.08 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1qh1 n GLU 394 Cb 0.51 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 2.14 0.85 3.77 8.31 0.00 0.23 -4.67 105.19 115.82 1qh1 n GLY 395 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1qh1 n GLY 395 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qh1 s THR 396 N -2.44 2.21 -0.07 2.61 2.01 -0.93 -3.71 115.64 115.32 1qh1 s THR 396 Ca 0.00 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1qh1 s THR 396 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1qh1 s THR 396 CO 0.00 0.04 1.21 -0.22 -0.69 0.00 0.00 174.62 174.96 1qh1 s LEU 397 N -1.64 4.27 -0.11 4.42 2.96 -1.22 -1.06 118.68 126.30 1qh1 s LEU 397 Ca 0.54 1.81 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 1qh1 s LEU 397 Cb -0.45 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.70 1qh1 s LEU 397 CO 0.57 -0.60 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.65 1qh1 s LEU 398 N 2.34 1.62 0.17 -0.68 2.96 -0.60 -1.33 118.68 123.16 1qh1 s LEU 398 Ca 0.56 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 1qh1 s LEU 398 Cb -0.24 -1.04 -0.00 0.00 0.50 0.00 0.00 46.19 45.40 1qh1 s LEU 398 CO 0.21 -0.02 0.31 0.72 -1.32 0.00 0.00 176.35 176.25 1qh1 s PHE 399 N 1.18 0.34 -0.01 5.38 -0.71 -0.79 -1.30 117.98 122.07 1qh1 s PHE 399 Ca -0.03 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.18 1qh1 s PHE 399 Cb -0.14 -0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.67 1qh1 s PHE 399 CO -0.04 -0.74 -0.05 0.34 -1.34 0.00 0.00 175.22 173.39 1qh1 s ASP 400 N -2.96 0.66 -1.18 1.98 2.15 -0.41 -2.37 116.67 114.54 1qh1 s ASP 400 Ca 0.16 -0.09 -0.30 0.00 0.43 0.00 0.00 52.55 52.75 1qh1 s ASP 400 Cb 0.03 -0.16 0.03 0.00 -0.30 0.00 0.00 42.92 42.52 1qh1 s ASP 400 CO -0.00 0.02 0.72 -0.67 -0.17 0.00 0.00 175.17 175.07 1qh1 n ASP 401 N 3.30 -4.55 -4.75 -0.34 2.03 0.13 -4.89 116.55 107.47 1qh1 n ASP 401 Ca -0.17 -1.20 -0.41 0.00 0.52 0.00 0.00 54.79 53.53 1qh1 n ASP 401 Cb 0.56 -2.20 -0.04 0.00 -0.72 0.00 0.00 41.12 38.72 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 -3.49 3.40 0.92 -1.67 0.00 -1.26 -4.96 121.76 114.70 1qh1 s ALA 402 Ca 0.48 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 1qh1 s ALA 402 Cb -0.24 -3.35 0.14 0.00 0.00 0.00 0.00 23.12 19.67 1qh1 s ALA 402 CO 0.94 -0.23 1.11 -1.54 0.00 0.00 0.00 175.76 176.04 1qh1 s SER 403 N -0.43 3.38 0.15 0.00 1.04 -1.26 -3.95 113.70 112.63 1qh1 s SER 403 Ca 0.48 1.18 -0.17 0.00 0.48 0.00 0.00 55.95 57.92 1qh1 s SER 403 Cb -0.31 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1qh1 s SER 403 CO 0.38 -2.65 1.81 -1.28 0.98 0.00 0.00 173.24 172.48 1qh1 h SER 404 N -1.56 0.43 -0.21 7.02 0.87 -1.45 -1.50 113.55 117.14 1qh1 h SER 404 Ca -0.51 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1qh1 h SER 404 Cb 1.31 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.09 1qh1 h SER 404 CO 0.59 0.31 -0.43 0.22 -0.53 0.00 0.00 176.83 176.98 1qh1 h TYR 405 N 0.50 -1.26 -0.59 2.24 5.03 -1.87 0.20 116.97 121.23 1qh1 h TYR 405 Ca 0.14 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.57 1qh1 h TYR 405 Cb -0.06 0.58 -0.06 0.00 1.55 0.00 0.00 36.73 38.75 1qh1 h TYR 405 CO -0.05 -0.47 0.29 0.93 -1.32 0.00 0.00 178.16 177.53 1qh1 h GLU 406 N -0.46 0.52 -0.65 1.82 5.08 -1.81 -0.93 114.58 118.15 1qh1 h GLU 406 Ca 0.09 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1qh1 h GLU 406 Cb 0.62 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1qh1 h GLU 406 CO -0.45 0.34 0.21 -0.07 -1.00 0.00 0.00 179.01 178.04 1qh1 h LEU 407 N 0.53 0.92 -0.48 1.33 3.38 -1.00 0.13 115.31 120.12 1qh1 h LEU 407 Ca 0.27 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1qh1 h LEU 407 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1qh1 h LEU 407 CO -0.21 0.86 0.04 -0.33 0.09 0.00 0.00 178.44 178.89 1qh1 h GLU 408 N 0.96 0.82 -0.44 1.13 5.08 -0.79 -1.54 114.58 119.79 1qh1 h GLU 408 Ca 0.21 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1qh1 h GLU 408 Cb 0.27 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1qh1 h GLU 408 CO -0.01 0.84 -0.14 0.00 -1.00 0.00 0.00 179.01 178.70 1qh1 h ALA 409 N 0.94 0.91 -0.26 3.43 0.00 -0.60 -1.30 119.26 122.38 1qh1 h ALA 409 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1qh1 h ALA 409 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qh1 h ALA 409 CO 0.02 0.63 0.08 0.74 0.00 0.00 0.00 179.25 180.71 1qh1 h PHE 410 N 0.74 0.42 -0.63 0.00 0.04 -0.57 -1.93 116.94 115.02 1qh1 h PHE 410 Ca 0.12 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1qh1 h PHE 410 Cb 0.65 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 1qh1 h PHE 410 CO 0.04 0.47 0.30 0.28 -0.60 0.00 0.00 178.31 178.80 1qh1 h VAL 411 N 0.25 1.22 -0.31 -0.55 2.07 -1.16 0.17 116.25 117.94 1qh1 h VAL 411 Ca 0.08 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1qh1 h VAL 411 Cb 0.25 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1qh1 h VAL 411 CO -0.00 0.25 0.07 0.11 0.02 0.00 0.00 177.57 178.01 1qh1 h LYS 412 N 0.86 0.45 0.21 1.57 1.57 -0.97 -1.19 116.57 119.07 1qh1 h LYS 412 Ca 0.22 -0.07 -0.35 0.00 -1.87 0.00 0.00 60.65 58.58 1qh1 h LYS 412 Cb 0.12 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.36 1qh1 h LYS 412 CO -0.03 0.43 -1.67 0.00 -0.57 0.00 0.00 179.45 177.61 1qh1 h ALA 413 N 1.63 0.07 0.00 3.86 0.00 -1.06 -3.36 119.26 120.39 1qh1 h ALA 413 Ca 0.11 -1.06 -0.17 0.00 0.00 0.00 0.00 54.91 53.78 1qh1 h ALA 413 Cb 0.19 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1qh1 h ALA 413 CO -0.00 0.92 -0.81 -0.07 0.00 0.00 0.00 179.25 179.29 1qh1 h LEU 414 N 0.10 0.00 -3.01 0.00 3.38 -0.62 -3.48 115.31 111.68 1qh1 h LEU 414 Ca -0.32 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.26 1qh1 h LEU 414 Cb 2.11 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.98 1qh1 h LEU 414 CO 0.20 0.81 -0.92 0.29 0.09 0.00 0.00 178.44 178.91 1qh1 n LYS 415 N -3.41 -1.51 -1.53 1.13 5.02 -0.46 -4.93 118.16 112.48 1qh1 n LYS 415 Ca 0.00 0.56 -0.35 0.00 -2.02 0.00 0.00 58.31 56.50 1qh1 n LYS 415 Cb 0.82 -4.57 0.09 0.00 -0.02 0.00 0.00 35.03 31.35 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 -5.57 2.25 0.27 1.97 0.04 -1.26 -4.91 135.00 127.79 1qh1 s PRO 416 Ca 0.47 1.90 0.16 0.00 0.04 0.00 0.00 61.00 63.56 1qh1 s PRO 416 Cb -0.14 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1qh1 s PRO 416 CO 0.83 -1.78 1.39 -0.44 0.04 0.00 0.00 177.00 177.04 1qh1 h ASP 417 N 0.00 0.00 -3.77 6.66 3.32 -1.25 -3.46 116.42 117.92 1qh1 h ASP 417 Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 1qh1 h ASP 417 Cb 1.31 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.62 1qh1 h ASP 417 CO 0.51 0.47 -0.28 -0.22 -1.72 0.00 0.00 179.24 177.99 1qh1 s LEU 418 N -6.37 0.46 -0.06 1.55 2.96 -0.90 -4.10 118.68 112.23 1qh1 s LEU 418 Ca 0.03 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 54.76 1qh1 s LEU 418 Cb 0.08 1.29 -0.02 0.00 0.50 0.00 0.00 46.19 48.03 1qh1 s LEU 418 CO 0.75 -0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.83 1qh1 s ILE 419 N 0.39 2.76 -0.22 6.68 1.01 -0.38 -1.95 121.20 129.50 1qh1 s ILE 419 Ca -0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1qh1 s ILE 419 Cb -0.04 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1qh1 s ILE 419 CO -0.02 0.57 -0.12 -0.83 0.00 0.00 0.00 174.94 174.55 1qh1 s GLY 420 N -0.44 1.53 0.00 6.18 0.00 -0.40 -0.98 107.32 113.21 1qh1 s GLY 420 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1qh1 s GLY 420 CO 0.02 0.41 0.00 -1.26 0.00 0.00 0.00 173.10 172.27 1qh1 n SER 421 N 4.64 0.00 -2.34 1.64 2.88 -0.98 -1.34 113.62 118.13 1qh1 n SER 421 Ca -0.18 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.33 1qh1 n SER 421 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 2.95 0.17 0.46 0.00 -1.26 -0.53 105.19 106.98 1qh1 n GLY 422 Ca 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.81 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 0.49 1.37 0.00 -0.61 6.09 -1.99 -0.73 117.51 122.12 1qh1 h ILE 423 Ca -0.04 -1.82 0.00 0.00 -1.37 0.00 0.00 64.86 61.62 1qh1 h ILE 423 Cb 0.15 1.91 0.00 0.00 0.47 0.00 0.00 36.82 39.35 1qh1 h ILE 423 CO 0.06 0.54 0.00 0.29 -3.07 0.00 0.00 178.15 175.97 1qh1 n LYS 424 N -3.92 0.24 -0.06 2.19 5.02 -1.26 -3.11 118.16 117.26 1qh1 n LYS 424 Ca -0.02 0.29 -0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1qh1 n LYS 424 Cb 0.56 -1.84 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.27 0.67 -0.09 1.97 4.71 -0.72 -4.67 120.64 120.25 1qh1 n GLU 425 Ca 0.04 -0.03 -0.06 0.00 -0.01 0.00 0.00 57.16 57.11 1qh1 n GLU 425 Cb 0.36 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 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 -0.06 0.00 3.49 3.64 -1.10 -2.72 116.57 119.82 1qh1 h LYS 426 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1qh1 h LYS 426 Cb 1.83 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 1qh1 h LYS 426 CO 0.03 -0.04 -0.37 0.66 -2.27 0.00 0.00 179.45 177.46 1qh1 n TYR 427 N -5.31 0.49 -0.03 1.91 4.01 -1.26 -1.67 117.16 115.30 1qh1 n TYR 427 Ca 0.01 0.14 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 1qh1 n TYR 427 Cb 0.22 -0.64 -0.10 0.00 -0.31 0.00 0.00 39.34 38.50 1qh1 n TYR 427 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1qh1 h ILE 428 N 0.00 1.49 0.00 -0.72 2.04 -1.79 -3.03 117.51 115.50 1qh1 h ILE 428 Ca 0.00 -1.67 -0.14 0.00 1.00 0.00 0.00 64.86 64.05 1qh1 h ILE 428 Cb 0.67 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1qh1 h ILE 428 CO 0.00 0.46 -0.67 -0.26 0.00 0.00 0.00 178.15 177.68 1qh1 h PHE 429 N -0.44 0.00 -0.52 1.37 0.04 -1.37 -2.56 116.94 113.46 1qh1 h PHE 429 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1qh1 h PHE 429 Cb 0.82 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 1qh1 h PHE 429 CO 0.15 0.67 0.11 1.96 -0.60 0.00 0.00 178.31 180.59 1qh1 h GLN 430 N 0.00 0.80 0.00 1.51 4.20 -1.37 -1.82 115.11 118.43 1qh1 h GLN 430 Ca -0.01 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1qh1 h GLN 430 Cb 1.26 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1qh1 h GLN 430 CO 0.09 0.74 -0.24 0.87 -0.67 0.00 0.00 178.83 179.61 1qh1 h LYS 431 N 0.77 0.00 0.00 1.46 1.57 -1.36 -0.85 116.57 118.16 1qh1 h LYS 431 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1qh1 h LYS 431 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1qh1 h LYS 431 CO 0.00 0.24 0.00 -1.33 -0.57 0.00 0.00 179.45 177.79 1qh1 n MET 432 N -3.65 0.68 -0.62 3.15 2.81 -0.74 -4.90 117.12 113.86 1qh1 n MET 432 Ca -0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1qh1 n MET 432 Cb 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.99 0.64 3.48 3.03 0.00 -0.32 -5.05 105.19 107.95 1qh1 n GLY 433 Ca 0.18 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 4.47 0.11 1.61 1.01 -0.89 -5.04 120.40 119.67 1qh1 s VAL 434 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 61.98 61.50 1qh1 s VAL 434 Cb 0.00 -3.09 -0.16 0.00 0.00 0.00 0.00 36.38 33.13 1qh1 s VAL 434 CO 0.00 0.33 1.36 -2.65 0.00 0.00 0.00 175.10 174.15 1qh1 n PRO 435 N 4.85 1.31 -4.39 2.72 -0.02 -1.26 -4.08 135.00 134.14 1qh1 n PRO 435 Ca -0.16 0.47 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 1qh1 n PRO 435 Cb 0.52 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.49 0.99 -0.11 6.00 2.19 -1.26 -1.25 117.98 125.03 1qh1 s PHE 436 Ca 0.82 -0.27 0.03 0.00 0.33 0.00 0.00 56.93 57.85 1qh1 s PHE 436 Cb -0.90 -0.73 0.01 0.00 -1.31 0.00 0.00 43.02 40.09 1qh1 s PHE 436 CO 0.46 -0.13 -0.21 1.03 1.83 0.00 0.00 175.22 178.20 1qh1 s ARG 437 N 0.33 2.76 -0.02 10.12 1.81 -0.16 -4.98 118.95 128.81 1qh1 s ARG 437 Ca -0.05 -0.77 -0.30 0.00 -1.72 0.00 0.00 55.73 52.89 1qh1 s ARG 437 Cb -0.10 -2.19 -0.07 0.00 -0.45 0.00 0.00 34.95 32.14 1qh1 s ARG 437 CO 0.01 0.05 1.76 -0.65 -0.68 0.00 0.00 175.30 175.78 1qh1 s GLN 438 N 0.68 4.16 -0.24 3.54 -0.21 -1.26 -2.31 119.66 124.02 1qh1 s GLN 438 Ca -0.12 2.33 0.13 0.00 0.02 0.00 0.00 55.36 57.72 1qh1 s GLN 438 Cb -0.16 -4.05 0.55 0.00 1.00 0.00 0.00 33.01 30.35 1qh1 s GLN 438 CO 0.02 -0.89 1.49 -1.33 -2.12 0.00 0.00 175.29 172.47 1qh1 n MET 439 N 7.27 2.68 -0.04 2.91 2.81 0.31 -2.26 117.12 130.81 1qh1 n MET 439 Ca 0.18 -2.98 -0.05 0.00 -1.81 0.00 0.00 57.70 53.04 1qh1 n MET 439 Cb 0.42 -1.89 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 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 -0.67 0.00 1.77 2.03 8.25 -1.26 -4.72 115.22 120.63 1qh1 n HIS 440 Ca 0.28 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.89 1qh1 n HIS 440 Cb 1.01 -0.28 0.73 0.00 1.12 0.00 0.00 29.99 32.58 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 -3.84 0.65 -1.71 0.41 3.41 -1.26 -4.89 113.62 106.39 1qh1 n SER 441 Ca -0.08 -1.26 -0.19 0.00 -0.26 0.00 0.00 58.87 57.08 1qh1 n SER 441 Cb 0.29 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.47 -0.28 -3.96 7.33 5.03 -0.96 -2.47 117.44 121.66 1qh1 n TRP 442 Ca 0.21 0.00 -0.28 0.00 3.03 0.00 0.00 57.50 60.46 1qh1 n TRP 442 Cb 0.21 -3.42 -0.00 0.00 -1.03 0.00 0.00 31.31 27.07 1qh1 n TRP 442 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1qh1 n ASP 443 N -1.30 -2.21 -0.96 -0.99 8.00 -1.15 -1.98 116.55 115.96 1qh1 n ASP 443 Ca -0.20 -0.92 -0.12 0.00 0.71 0.00 0.00 54.79 54.25 1qh1 n ASP 443 Cb 0.65 -3.38 -0.05 0.00 -0.02 0.00 0.00 41.12 38.32 1qh1 n ASP 443 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qh1 n TYR 444 N -4.44 0.00 0.00 1.24 4.01 -1.03 -4.97 117.16 111.96 1qh1 n TYR 444 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1qh1 n TYR 444 Cb 0.60 -2.42 0.00 0.00 -0.31 0.00 0.00 39.34 37.22 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 -0.42 0.00 0.00 7.72 2.88 -0.84 -5.12 113.62 117.84 1qh1 n SER 445 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1qh1 n SER 445 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 5.00 -1.30 3.77 0.46 0.00 -1.26 -4.69 105.19 107.17 1qh1 n GLY 446 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.49 1.83 -0.00 1.61 0.04 -1.02 -4.95 135.00 131.01 1qh1 s PRO 447 Ca 0.00 0.78 0.04 0.00 0.04 0.00 0.00 61.00 61.86 1qh1 s PRO 447 Cb 0.00 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1qh1 s PRO 447 CO 0.00 -1.83 0.13 0.66 0.04 0.00 0.00 177.00 175.99 1qh1 n TYR 448 N -3.60 0.00 -1.73 0.56 4.01 -1.26 -4.27 117.16 110.87 1qh1 n TYR 448 Ca 0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.49 1qh1 n TYR 448 Cb 0.55 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.84 2.79 0.08 -0.72 3.76 -1.26 -3.69 115.29 114.42 1qh1 s HIS 449 Ca -0.00 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1qh1 s HIS 449 Cb 0.03 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.66 1qh1 s HIS 449 CO 0.16 -1.47 0.00 0.41 -0.85 0.00 0.00 174.74 172.99 1qh1 n GLY 450 N -0.99 -2.04 0.23 -2.22 0.00 0.28 -2.25 105.19 98.20 1qh1 n GLY 450 Ca 0.09 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.33 0.76 -0.07 1.61 0.05 -1.88 -1.79 116.97 115.33 1qh1 h TYR 451 Ca 0.01 -0.24 -0.13 0.00 0.05 0.00 0.00 58.73 58.41 1qh1 h TYR 451 Cb 0.33 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1qh1 h TYR 451 CO 0.00 0.97 -0.55 -0.44 -1.05 0.00 0.00 178.16 177.09 1qh1 h ASP 452 N 0.50 0.23 0.18 3.88 3.32 -1.86 -2.97 116.42 119.70 1qh1 h ASP 452 Ca 0.03 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 1qh1 h ASP 452 Cb 0.99 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1qh1 h ASP 452 CO 0.09 0.73 -0.53 1.23 -1.72 0.00 0.00 179.24 179.05 1qh1 h GLY 453 N 1.45 0.42 1.79 2.75 0.00 -1.31 -3.17 103.07 105.00 1qh1 h GLY 453 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1qh1 h GLY 453 CO 0.08 0.43 -0.06 -2.75 0.00 0.00 0.00 176.54 174.24 1qh1 h PHE 454 N 0.30 0.27 -0.46 5.60 3.57 -1.15 0.02 116.94 125.09 1qh1 h PHE 454 Ca 0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1qh1 h PHE 454 Cb 1.03 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1qh1 h PHE 454 CO 0.03 0.34 0.09 0.00 -2.23 0.00 0.00 178.31 176.53 1qh1 h ALA 455 N 1.69 0.61 -0.26 2.41 0.00 -1.58 -1.05 119.26 121.08 1qh1 h ALA 455 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1qh1 h ALA 455 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qh1 h ALA 455 CO 0.01 0.32 0.03 0.82 0.00 0.00 0.00 179.25 180.43 1qh1 h ILE 456 N 0.62 1.24 -0.39 0.00 2.04 -1.45 -1.94 117.51 117.63 1qh1 h ILE 456 Ca 0.14 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1qh1 h ILE 456 Cb 0.37 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1qh1 h ILE 456 CO 0.01 0.26 -0.09 0.15 0.00 0.00 0.00 178.15 178.48 1qh1 h PHE 457 N 0.24 -0.19 -0.47 1.37 3.57 -0.85 0.27 116.94 120.89 1qh1 h PHE 457 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1qh1 h PHE 457 Cb 0.36 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1qh1 h PHE 457 CO 0.03 -0.16 0.13 0.00 -2.23 0.00 0.00 178.31 176.08 1qh1 h ALA 458 N 1.39 0.62 -0.63 2.41 0.00 -1.10 -0.01 119.26 121.94 1qh1 h ALA 458 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1qh1 h ALA 458 Cb 0.29 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1qh1 h ALA 458 CO -0.40 0.28 0.32 -0.09 0.00 0.00 0.00 179.25 179.36 1qh1 h ARG 459 N 0.63 0.56 -0.21 0.00 2.43 -1.17 -2.16 114.38 114.45 1qh1 h ARG 459 Ca 0.15 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1qh1 h ARG 459 Cb 0.29 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1qh1 h ARG 459 CO -0.00 0.37 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.07 1qh1 h ASP 460 N 0.58 0.65 -0.63 -3.80 3.32 -0.60 -0.65 116.42 115.28 1qh1 h ASP 460 Ca 0.29 -0.52 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1qh1 h ASP 460 Cb 0.24 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1qh1 h ASP 460 CO -0.21 1.04 0.42 0.24 -1.72 0.00 0.00 179.24 179.01 1qh1 h MET 461 N 0.27 0.83 -0.22 3.56 2.86 -0.84 -2.21 114.93 119.18 1qh1 h MET 461 Ca 0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1qh1 h MET 461 Cb 0.90 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1qh1 h MET 461 CO 0.07 0.55 0.13 0.22 1.06 0.00 0.00 176.91 178.94 1qh1 h ASP 462 N 0.86 0.27 -0.49 1.22 3.58 -1.37 -0.28 116.42 120.20 1qh1 h ASP 462 Ca 0.23 -0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.71 1qh1 h ASP 462 Cb -0.09 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 40.81 1qh1 h ASP 462 CO -0.05 0.25 0.02 -0.03 -2.88 0.00 0.00 179.24 176.55 1qh1 h MET 463 N 0.25 0.13 0.10 0.28 4.05 -0.93 -1.54 114.93 117.28 1qh1 h MET 463 Ca 0.08 -0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.26 1qh1 h MET 463 Cb 0.04 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1qh1 h MET 463 CO -0.01 0.09 -1.14 1.15 0.23 0.00 0.00 176.91 177.22 1qh1 h THR 464 N 0.14 1.21 -1.01 -0.77 2.02 -1.35 -2.95 112.91 110.20 1qh1 h THR 464 Ca 0.25 -2.42 0.02 0.00 0.77 0.00 0.00 66.41 65.03 1qh1 h THR 464 Cb 0.36 2.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.58 1qh1 h THR 464 CO -0.39 0.67 0.67 0.25 0.37 0.00 0.00 175.52 177.08 1qh1 h LEU 465 N -0.43 1.14 -2.89 2.58 5.85 -1.04 -2.99 115.31 117.53 1qh1 h LEU 465 Ca -0.24 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1qh1 h LEU 465 Cb 1.64 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1qh1 h LEU 465 CO 0.06 0.81 0.00 0.59 -0.34 0.00 0.00 178.44 179.56 1qh1 n ASN 466 N -4.40 4.37 -4.76 1.25 3.02 -0.58 -4.96 115.26 109.20 1qh1 n ASN 466 Ca 0.13 -2.28 -0.39 0.00 -0.03 0.00 0.00 54.58 52.01 1qh1 n ASN 466 Cb 0.04 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 38.69 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 -0.92 5.63 0.55 6.41 3.84 -1.11 -4.88 114.94 124.46 1qh1 s ASN 467 Ca 0.49 2.75 0.32 0.00 0.21 0.00 0.00 52.86 56.63 1qh1 s ASN 467 Cb 0.30 -2.64 1.57 0.00 -0.55 0.00 0.00 41.25 39.93 1qh1 s ASN 467 CO 0.27 -1.32 2.08 1.55 -2.79 0.00 0.00 177.10 176.89 1qh1 h PRO 468 N 1.88 0.00 0.00 0.43 0.13 -1.93 -2.94 132.00 129.57 1qh1 h PRO 468 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1qh1 h ALA 469 N 1.93 1.00 0.00 -0.56 0.00 -1.98 -2.57 119.26 117.08 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 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qh1 h ALA 469 CO 0.01 0.00 0.00 -1.49 0.00 0.00 0.00 179.25 177.77 1qh1 h TRP 470 N 0.00 0.00 -0.27 0.00 4.06 -1.90 0.15 115.95 117.99 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 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 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 -2.45 1.80 -0.03 -3.49 5.03 -0.97 -4.24 115.26 110.92 1qh1 n ASN 471 Ca 0.01 -2.08 0.02 0.00 0.87 0.00 0.00 54.58 53.40 1qh1 n ASN 471 Cb 0.21 -0.27 0.02 0.00 -1.02 0.00 0.00 39.78 38.72 1qh1 n ASN 471 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1qh1 n GLU 472 N 0.32 2.28 0.04 3.52 -0.58 0.04 -4.64 120.64 121.62 1qh1 n GLU 472 Ca 0.10 -1.54 -0.01 0.00 -0.42 0.00 0.00 57.16 55.28 1qh1 n GLU 472 Cb 0.32 -1.01 0.26 0.00 -0.57 0.00 0.00 31.44 30.44 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 0.00 0.40 -9.17 -4.62 -0.00 -1.74 -3.40 115.31 96.78 1qh1 h LEU 473 Ca 0.00 -0.12 -0.61 0.00 -0.00 0.00 0.00 57.88 57.16 1qh1 h LEU 473 Cb 0.67 -0.11 -0.13 0.00 -0.00 0.00 0.00 40.66 41.09 1qh1 h LEU 473 CO 0.00 0.62 -0.42 -0.89 -0.00 0.00 0.00 178.44 177.74 1qh1 s THR 474 N -4.58 5.34 0.60 0.22 2.01 -1.26 -5.06 115.64 112.91 1qh1 s THR 474 Ca -0.06 0.33 -0.19 0.00 0.31 0.00 0.00 61.69 62.07 1qh1 s THR 474 Cb 0.14 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1qh1 s THR 474 CO 0.77 0.36 1.20 0.00 -0.69 0.00 0.00 174.62 176.26 1qh1 n ALA 475 N 4.04 0.94 0.30 7.40 0.00 -1.26 -4.87 120.51 127.06 1qh1 n ALA 475 Ca -0.14 0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.52 1qh1 n ALA 475 Cb 0.52 -2.26 0.83 0.00 0.00 0.00 0.00 19.45 18.54 1qh1 n ALA 475 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qh1 h PRO 476 N 0.76 0.00 -0.01 0.00 0.13 -1.97 -0.85 132.00 130.06 1qh1 h PRO 476 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qh1 h PRO 476 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1qh1 h PRO 476 CO 0.53 0.00 -0.12 -2.67 -0.23 0.00 0.00 178.00 175.51 1qh1 n TRP 477 N -2.95 0.00 0.69 1.56 2.14 -1.26 -5.29 117.44 112.34 1qh1 n TRP 477 Ca -0.01 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.65 1qh1 n TRP 477 Cb 0.21 -0.08 0.07 0.00 -0.81 0.00 0.00 31.31 30.69 1qh1 n TRP 477 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04