#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1quq n MET 4 N 0.00 1.18 0.00 -0.67 0.00 -1.26 -4.53 117.12 111.84 1quq n MET 4 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 57.70 57.39 1quq n MET 4 Cb 0.00 -1.14 0.33 0.00 0.00 0.00 0.00 33.22 32.41 1quq n MET 4 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1quq n MET 5 N 1.01 0.52 -0.31 3.17 2.81 -1.26 -2.46 117.12 120.62 1quq n MET 5 Ca 0.07 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.04 1quq n MET 5 Cb 0.54 -1.34 0.18 0.00 -0.71 0.00 0.00 33.22 31.90 1quq n MET 5 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1quq n ASP 6 N -0.84 2.59 -4.26 7.83 9.92 -1.26 -4.99 116.55 125.54 1quq n ASP 6 Ca 0.08 -3.27 -0.15 0.00 -0.53 0.00 0.00 54.79 50.92 1quq n ASP 6 Cb 0.04 -0.49 -0.10 0.00 -0.64 0.00 0.00 41.12 39.93 1quq n ASP 6 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1quq s LEU 7 N -2.96 2.52 0.14 0.64 1.43 -1.03 -5.12 118.68 114.30 1quq s LEU 7 Ca 0.36 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1quq s LEU 7 Cb 0.32 -0.40 -0.07 0.00 0.03 0.00 0.00 46.19 46.07 1quq s LEU 7 CO 0.02 -0.29 1.00 -2.16 0.23 0.00 0.00 176.35 175.15 1quq s PRO 8 N -3.59 4.69 -0.22 1.29 0.04 -1.26 -5.01 135.00 130.94 1quq s PRO 8 Ca 0.16 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1quq s PRO 8 Cb 0.01 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 1quq s PRO 8 CO 0.01 0.21 -0.03 1.03 0.04 0.00 0.00 177.00 178.26 1quq s ARG 9 N -0.21 3.42 0.15 4.56 0.52 -1.26 -4.72 118.95 121.40 1quq s ARG 9 Ca 0.47 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 1quq s ARG 9 Cb -0.25 -3.03 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 1quq s ARG 9 CO 0.31 -0.17 1.07 -1.12 0.02 0.00 0.00 175.30 175.42 1quq s SER 10 N 1.43 7.31 -0.16 0.23 0.01 -1.11 -4.58 113.70 116.83 1quq s SER 10 Ca 0.05 2.01 -0.26 0.00 1.31 0.00 0.00 55.95 59.06 1quq s SER 10 Cb -0.14 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1quq s SER 10 CO -0.02 -0.21 0.87 -0.13 0.41 0.00 0.00 173.24 174.16 1quq s ARG 11 N -0.15 4.32 0.34 12.44 0.52 -1.26 -0.12 118.95 135.04 1quq s ARG 11 Ca 0.50 1.09 0.05 0.00 -0.52 0.00 0.00 55.73 56.85 1quq s ARG 11 Cb -0.28 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.60 1quq s ARG 11 CO 0.33 -0.34 0.20 0.44 0.02 0.00 0.00 175.30 175.95 1quq n ILE 12 N 4.72 0.00 -4.44 1.52 -5.35 -0.98 -4.94 119.36 109.88 1quq n ILE 12 Ca 0.05 -2.20 -0.23 0.00 -0.27 0.00 0.00 62.75 60.10 1quq n ILE 12 Cb 0.49 0.95 -0.09 0.00 -1.74 0.00 0.00 39.64 39.25 1quq n ILE 12 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1quq s ASN 13 N -3.21 2.32 0.16 7.28 6.03 -1.26 -4.57 114.94 121.70 1quq s ASN 13 Ca 0.28 -1.60 -0.26 0.00 -1.03 0.00 0.00 52.86 50.25 1quq s ASN 13 Cb 0.01 0.38 0.02 0.00 -3.03 0.00 0.00 41.25 38.63 1quq s ASN 13 CO 0.20 -0.87 1.56 0.00 -2.03 0.00 0.00 177.10 175.96 1quq h ALA 14 N 1.97 -0.38 0.00 3.54 0.00 -1.88 -0.51 119.26 122.00 1quq h ALA 14 Ca -0.35 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1quq h ALA 14 Cb 1.26 0.99 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1quq h ALA 14 CO 0.57 -0.86 0.05 0.41 0.00 0.00 0.00 179.25 179.43 1quq n GLY 15 N -1.40 -0.35 0.53 0.00 0.00 -1.26 -1.05 105.19 101.66 1quq n GLY 15 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1quq n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1quq n MET 16 N -1.34 1.54 -0.09 1.61 2.81 -0.20 -4.52 117.12 116.94 1quq n MET 16 Ca 0.00 -1.11 -0.06 0.00 -1.81 0.00 0.00 57.70 54.71 1quq n MET 16 Cb 0.05 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1quq n MET 16 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1quq h LEU 17 N 2.62 -0.20 -1.79 4.03 3.38 -1.13 -1.72 115.31 120.51 1quq h LEU 17 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1quq h LEU 17 Cb 0.71 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1quq h LEU 17 CO 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1quq h ALA 18 N 1.29 1.00 -0.30 1.53 0.00 -1.79 -1.19 119.26 119.80 1quq h ALA 18 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1quq h ALA 18 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1quq h ALA 18 CO -0.28 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.01 1quq n GLN 19 N -2.86 2.48 -1.25 0.00 6.02 -0.68 -4.25 117.38 116.84 1quq n GLN 19 Ca -0.00 -2.21 0.02 0.00 -0.01 0.00 0.00 57.00 54.80 1quq n GLN 19 Cb 0.19 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.06 1quq n GLN 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1quq n PHE 20 N 1.47 0.33 -1.90 1.08 3.01 -0.45 -5.07 117.46 115.93 1quq n PHE 20 Ca 0.18 -1.22 -0.42 0.00 1.01 0.00 0.00 57.45 57.00 1quq n PHE 20 Cb 0.61 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 1quq n PHE 20 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1quq s ILE 21 N -2.12 2.96 0.00 4.37 1.01 -1.20 -1.81 121.20 124.41 1quq s ILE 21 Ca 0.37 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1quq s ILE 21 Cb 0.38 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1quq s ILE 21 CO -0.10 -0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.17 1quq n ASP 22 N 5.56 -2.30 -4.68 3.58 2.03 0.16 -4.97 116.55 115.92 1quq n ASP 22 Ca 0.16 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.20 1quq n ASP 22 Cb 0.40 -0.38 -0.08 0.00 -0.72 0.00 0.00 41.12 40.34 1quq n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1quq s LYS 23 N -0.09 2.49 0.18 -0.67 1.02 -0.75 -4.78 119.74 117.15 1quq s LYS 23 Ca 0.00 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.67 1quq s LYS 23 Cb 0.00 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.79 1quq s LYS 23 CO 0.00 0.48 1.24 -2.14 -0.92 0.00 0.00 175.35 174.01 1quq s PRO 24 N -2.81 4.45 0.15 -1.68 0.02 -1.26 -2.11 135.00 131.76 1quq s PRO 24 Ca 0.27 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.21 1quq s PRO 24 Cb -0.10 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1quq s PRO 24 CO 0.19 -0.16 0.11 0.14 -0.33 0.00 0.00 177.00 176.94 1quq s VAL 25 N 0.10 0.07 -0.15 3.83 -7.23 0.78 -2.76 120.40 115.04 1quq s VAL 25 Ca 0.55 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1quq s VAL 25 Cb -0.34 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.49 1quq s VAL 25 CO 0.37 -0.32 -0.08 0.00 -0.31 0.00 0.00 175.10 174.75 1quq s PHE 27 N 1.60 2.87 -0.19 0.00 5.36 0.11 -2.32 117.98 125.41 1quq s PHE 27 Ca 0.02 -1.45 -0.05 0.00 -0.96 0.00 0.00 56.93 54.50 1quq s PHE 27 Cb -0.14 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.52 1quq s PHE 27 CO -0.08 -0.73 0.00 0.08 -1.46 0.00 0.00 175.22 173.03 1quq s VAL 28 N 1.34 4.06 0.22 3.12 1.01 -1.26 0.30 120.40 129.20 1quq s VAL 28 Ca 0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1quq s VAL 28 Cb -0.14 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1quq s VAL 28 CO -0.09 0.44 0.41 0.61 0.00 0.00 0.00 175.10 176.47 1quq n GLY 29 N 4.02 1.77 3.71 4.51 0.00 -0.63 -4.67 105.19 113.90 1quq n GLY 29 Ca -0.17 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 1quq n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1quq s ARG 30 N -2.19 3.52 -0.18 1.61 3.52 -0.43 -0.65 118.95 124.16 1quq s ARG 30 Ca 0.12 -0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 1quq s ARG 30 Cb -0.02 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1quq s ARG 30 CO 0.09 0.54 1.80 -1.17 -0.81 0.00 0.00 175.30 175.75 1quq s LEU 31 N -0.40 3.89 -0.25 -0.88 1.98 -0.78 -1.46 118.68 120.78 1quq s LEU 31 Ca 0.09 1.86 -0.16 0.00 -2.89 0.00 0.00 54.13 53.03 1quq s LEU 31 Cb -0.12 -3.53 -0.14 0.00 0.66 0.00 0.00 46.19 43.07 1quq s LEU 31 CO 0.02 -1.37 -0.19 -0.62 -1.89 0.00 0.00 176.35 172.30 1quq n GLU 32 N 7.88 0.58 -3.78 1.98 -0.58 -0.33 -4.74 120.64 121.65 1quq n GLU 32 Ca 0.21 0.36 -0.13 0.00 -0.42 0.00 0.00 57.16 57.18 1quq n GLU 32 Cb 0.44 -1.57 -0.10 0.00 -0.57 0.00 0.00 31.44 29.65 1quq n GLU 32 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1quq s LYS 33 N -2.48 0.49 -0.13 3.49 3.01 -1.21 -5.01 119.74 117.90 1quq s LYS 33 Ca -0.35 0.11 -0.00 0.00 -1.01 0.00 0.00 55.97 54.71 1quq s LYS 33 Cb 0.12 0.22 -0.02 0.00 -1.01 0.00 0.00 37.83 37.14 1quq s LYS 33 CO 0.51 -0.10 -0.12 0.42 0.51 0.00 0.00 175.35 176.57 1quq s ILE 34 N -0.56 3.13 0.29 2.17 1.01 -1.26 -1.20 121.20 124.78 1quq s ILE 34 Ca -0.07 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1quq s ILE 34 Cb -0.04 -2.32 -0.10 0.00 0.01 0.00 0.00 42.46 40.01 1quq s ILE 34 CO 0.02 0.52 1.31 -2.28 0.00 0.00 0.00 174.94 174.51 1quq s HIS 35 N 0.36 3.13 0.56 3.97 5.65 -0.56 -4.88 115.29 123.52 1quq s HIS 35 Ca -0.10 1.35 0.44 0.00 0.25 0.00 0.00 55.06 57.00 1quq s HIS 35 Cb -0.16 -3.65 1.61 0.00 -1.18 0.00 0.00 32.58 29.21 1quq s HIS 35 CO 0.05 -1.85 1.63 -1.35 -0.65 0.00 0.00 174.74 172.57 1quq h PRO 36 N 3.99 0.00 0.00 2.88 0.11 -1.99 0.95 132.00 137.94 1quq h PRO 36 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1quq h PRO 36 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1quq h PRO 36 CO 0.69 0.00 -0.81 1.79 -0.21 0.00 0.00 178.00 179.47 1quq h THR 37 N 0.00 0.85 0.00 -1.15 1.35 -1.93 -3.48 112.91 108.55 1quq h THR 37 Ca 0.77 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1quq h THR 37 Cb 3.19 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 71.97 1quq h THR 37 CO -0.01 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1quq n GLY 38 N 1.29 0.63 0.85 5.82 0.00 0.33 -4.84 105.19 109.27 1quq n GLY 38 Ca -0.01 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1quq n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1quq n LYS 39 N -2.73 2.57 -3.51 1.61 5.02 -1.26 -1.29 118.16 118.57 1quq n LYS 39 Ca 0.00 -2.14 -0.14 0.00 -2.02 0.00 0.00 58.31 54.01 1quq n LYS 39 Cb 0.00 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 1quq n LYS 39 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1quq s MET 40 N -1.05 1.13 -0.01 1.97 0.00 -1.26 -0.44 119.30 119.65 1quq s MET 40 Ca 0.30 -0.24 -0.28 0.00 0.00 0.00 0.00 55.69 55.47 1quq s MET 40 Cb 0.16 0.52 0.10 0.00 0.00 0.00 0.00 34.83 35.61 1quq s MET 40 CO 0.22 -0.43 0.84 -0.59 0.00 0.00 0.00 175.02 175.06 1quq s PHE 41 N -2.72 -0.41 -0.10 4.11 -0.12 -0.78 -1.49 117.98 116.48 1quq s PHE 41 Ca -0.04 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.22 1quq s PHE 41 Cb -0.00 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1quq s PHE 41 CO -0.04 -0.57 -0.11 0.42 -0.05 0.00 0.00 175.22 174.88 1quq s ILE 42 N -2.75 3.33 -0.06 -4.49 1.01 -0.34 -1.12 121.20 116.78 1quq s ILE 42 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1quq s ILE 42 Cb -0.01 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1quq s ILE 42 CO -0.06 0.55 -0.20 -0.76 0.00 0.00 0.00 174.94 174.47 1quq s LEU 43 N -0.18 2.38 -0.16 2.97 1.43 -0.98 -1.19 118.68 122.95 1quq s LEU 43 Ca 0.01 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1quq s LEU 43 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1quq s LEU 43 CO 0.03 0.28 0.13 -0.94 0.23 0.00 0.00 176.35 176.07 1quq s SER 44 N -0.33 6.23 0.95 2.29 1.04 -0.54 -1.15 113.70 122.19 1quq s SER 44 Ca 0.02 0.33 -0.15 0.00 0.48 0.00 0.00 55.95 56.62 1quq s SER 44 Cb -0.13 -2.06 0.18 0.00 0.10 0.00 0.00 66.02 64.12 1quq s SER 44 CO 0.02 0.29 1.29 1.51 0.98 0.00 0.00 173.24 177.33 1quq s ASP 45 N -0.30 3.25 0.13 7.02 3.84 0.23 -1.31 116.67 129.53 1quq s ASP 45 Ca 0.11 0.37 0.07 0.00 -0.00 0.00 0.00 52.55 53.09 1quq s ASP 45 Cb -0.12 -0.49 0.37 0.00 -1.38 0.00 0.00 42.92 41.30 1quq s ASP 45 CO 0.01 -2.66 1.11 0.61 -0.00 0.00 0.00 175.17 174.25 1quq n GLY 46 N -3.58 -0.52 1.26 2.12 0.00 -1.26 -1.18 105.19 102.03 1quq n GLY 46 Ca 0.14 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1quq n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1quq n GLU 47 N -1.69 2.11 -0.80 1.61 0.28 -1.26 -4.34 120.64 116.55 1quq n GLU 47 Ca -0.00 -3.38 0.00 0.00 -0.16 0.00 0.00 57.16 53.61 1quq n GLU 47 Cb 0.15 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.14 1quq n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1quq n GLY 48 N -1.05 0.51 3.84 -1.84 0.00 -0.32 -5.01 105.19 101.31 1quq n GLY 48 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 1quq n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1quq s LYS 49 N -0.51 4.03 0.09 1.61 1.02 -1.26 -4.76 119.74 119.95 1quq s LYS 49 Ca 0.00 0.57 -0.09 0.00 0.02 0.00 0.00 55.97 56.47 1quq s LYS 49 Cb 0.00 -2.86 -0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1quq s LYS 49 CO 0.00 0.42 0.38 -0.80 -0.92 0.00 0.00 175.35 174.44 1quq s ASN 50 N -1.80 6.60 0.00 2.83 0.02 -1.26 0.74 114.94 122.08 1quq s ASN 50 Ca 0.41 0.73 0.04 0.00 -1.02 0.00 0.00 52.86 53.02 1quq s ASN 50 Cb -0.15 -2.15 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 1quq s ASN 50 CO 0.20 0.16 -0.12 -0.83 0.02 0.00 0.00 177.10 176.52 1quq s GLY 51 N -1.88 0.62 -0.22 0.66 0.00 -0.30 -4.84 107.32 101.36 1quq s GLY 51 Ca 0.34 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.37 1quq s GLY 51 CO 0.19 -0.52 0.16 -1.59 0.00 0.00 0.00 173.10 171.34 1quq s THR 52 N -0.45 5.37 -0.28 0.90 2.01 -1.26 -2.31 115.64 119.62 1quq s THR 52 Ca 0.03 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1quq s THR 52 Cb -0.05 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1quq s THR 52 CO -0.00 0.38 0.02 -0.63 -0.69 0.00 0.00 174.62 173.70 1quq s ILE 53 N 0.80 3.51 -0.13 1.82 -1.09 -0.27 0.68 121.20 126.50 1quq s ILE 53 Ca 0.08 -0.85 -0.13 0.00 -2.23 0.00 0.00 60.65 57.52 1quq s ILE 53 Cb -0.13 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 1quq s ILE 53 CO 0.02 0.11 0.27 -1.61 -1.23 0.00 0.00 174.94 172.51 1quq s GLU 54 N 1.42 4.07 0.03 2.79 2.02 0.88 -1.86 118.70 128.04 1quq s GLU 54 Ca 0.01 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.11 1quq s GLU 54 Cb -0.17 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1quq s GLU 54 CO -0.00 0.40 -0.01 -0.51 0.02 0.00 0.00 175.26 175.16 1quq s LEU 55 N -0.02 3.46 0.05 1.80 1.43 0.42 -0.18 118.68 125.65 1quq s LEU 55 Ca 0.17 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1quq s LEU 55 Cb -0.13 -2.05 -0.30 0.00 0.03 0.00 0.00 46.19 43.74 1quq s LEU 55 CO 0.05 0.25 1.06 0.24 0.23 0.00 0.00 176.35 178.17 1quq h MET 56 N 4.08 0.32 -6.21 1.70 2.86 -1.86 -3.45 114.93 112.37 1quq h MET 56 Ca -0.48 -0.54 -0.62 0.00 -2.06 0.00 0.00 59.70 55.99 1quq h MET 56 Cb 1.17 0.20 -0.28 0.00 0.06 0.00 0.00 31.60 32.76 1quq h MET 56 CO 0.58 1.24 -0.86 -1.21 1.06 0.00 0.00 176.91 177.72 1quq s GLU 57 N -2.64 1.63 0.75 1.72 0.41 -1.26 -5.12 118.70 114.18 1quq s GLU 57 Ca -0.06 -0.89 -0.12 0.00 -0.41 0.00 0.00 54.97 53.49 1quq s GLU 57 Cb 0.06 -1.67 0.05 0.00 -1.78 0.00 0.00 34.13 30.79 1quq s GLU 57 CO 0.89 0.44 1.11 -1.25 -0.49 0.00 0.00 175.26 175.96 1quq s PRO 58 N -0.87 2.31 0.87 0.39 0.04 -1.26 -4.83 135.00 131.64 1quq s PRO 58 Ca 0.09 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 1quq s PRO 58 Cb -0.09 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1quq s PRO 58 CO 0.01 -1.62 1.14 -0.51 0.04 0.00 0.00 177.00 176.05 1quq s LEU 59 N -5.60 2.92 0.00 -3.56 1.43 -0.41 -4.95 118.68 108.52 1quq s LEU 59 Ca 0.64 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1quq s LEU 59 Cb -0.19 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1quq s LEU 59 CO 0.51 -2.78 0.00 0.47 0.23 0.00 0.00 176.35 174.78 1quq n ASP 60 N -3.97 1.63 -4.14 2.29 9.92 -1.26 -5.02 116.55 116.00 1quq n ASP 60 Ca 0.11 -0.31 -0.11 0.00 -0.53 0.00 0.00 54.79 53.95 1quq n ASP 60 Cb 0.52 0.95 -0.10 0.00 -0.64 0.00 0.00 41.12 41.85 1quq n ASP 60 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1quq s GLU 61 N -1.28 0.76 -0.22 -1.24 -1.05 -1.26 -5.13 118.70 109.28 1quq s GLU 61 Ca 0.00 -1.18 -0.24 0.00 -0.15 0.00 0.00 54.97 53.39 1quq s GLU 61 Cb 0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.43 1quq s GLU 61 CO 0.00 0.01 0.82 -2.00 0.95 0.00 0.00 175.26 175.03 1quq s GLU 62 N -3.21 4.21 0.22 -4.83 2.12 -1.26 -5.04 118.70 110.90 1quq s GLU 62 Ca 0.06 0.94 -0.08 0.00 0.36 0.00 0.00 54.97 56.25 1quq s GLU 62 Cb 0.01 -3.63 -0.07 0.00 0.26 0.00 0.00 34.13 30.71 1quq s GLU 62 CO -0.03 -0.46 0.51 0.96 -0.54 0.00 0.00 175.26 175.70 1quq s ILE 63 N 2.65 4.99 0.28 -3.70 -4.36 -1.26 -5.08 121.20 114.71 1quq s ILE 63 Ca 0.35 0.33 -0.21 0.00 -0.26 0.00 0.00 60.65 60.86 1quq s ILE 63 Cb -0.16 -3.63 0.03 0.00 1.25 0.00 0.00 42.46 39.95 1quq s ILE 63 CO 0.08 -0.08 0.76 -0.94 0.24 0.00 0.00 174.94 175.00 1quq s SER 64 N -2.47 -0.22 0.35 4.36 1.04 -1.26 -4.96 113.70 110.54 1quq s SER 64 Ca 0.46 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1quq s SER 64 Cb -0.11 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1quq s SER 64 CO 0.23 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1quq n GLY 65 N -0.47 -0.15 3.73 7.32 0.00 -1.26 -4.76 105.19 109.60 1quq n GLY 65 Ca -0.05 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1quq n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1quq s ILE 66 N 0.00 4.85 -0.05 -0.61 -1.09 -1.26 -1.86 121.20 121.19 1quq s ILE 66 Ca 0.00 1.71 0.05 0.00 -2.23 0.00 0.00 60.65 60.18 1quq s ILE 66 Cb 0.00 -4.16 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1quq s ILE 66 CO 0.00 0.27 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.10 1quq s VAL 67 N 0.51 1.56 -0.33 2.92 1.01 0.17 -0.72 120.40 125.53 1quq s VAL 67 Ca 0.42 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1quq s VAL 67 Cb -0.20 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1quq s VAL 67 CO 0.23 0.45 0.10 -0.70 0.00 0.00 0.00 175.10 175.18 1quq s GLU 68 N -0.01 2.75 -0.13 2.72 2.12 0.19 -1.61 118.70 124.72 1quq s GLU 68 Ca -0.04 -1.09 -0.06 0.00 0.36 0.00 0.00 54.97 54.15 1quq s GLU 68 Cb -0.12 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1quq s GLU 68 CO 0.02 -0.60 0.08 0.08 -0.54 0.00 0.00 175.26 174.30 1quq s VAL 69 N 1.43 4.96 -0.08 3.70 1.01 0.15 -0.62 120.40 130.95 1quq s VAL 69 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1quq s VAL 69 Cb -0.19 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1quq s VAL 69 CO 0.03 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.79 1quq s VAL 70 N -0.53 2.38 -0.12 2.92 1.01 0.06 0.05 120.40 126.17 1quq s VAL 70 Ca 0.11 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1quq s VAL 70 Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1quq s VAL 70 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1quq n GLY 71 N 3.12 -1.21 3.33 4.51 0.00 -0.91 -0.77 105.19 113.26 1quq n GLY 71 Ca -0.18 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 1quq n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1quq s ARG 72 N -0.05 3.30 -0.01 1.61 3.52 -0.90 -0.16 118.95 126.26 1quq s ARG 72 Ca 0.00 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 1quq s ARG 72 Cb 0.00 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.79 1quq s ARG 72 CO 0.00 0.21 1.46 0.08 -0.81 0.00 0.00 175.30 176.23 1quq s VAL 73 N 0.35 3.66 0.83 7.11 1.01 -0.90 -0.70 120.40 131.76 1quq s VAL 73 Ca -0.13 1.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 1quq s VAL 73 Cb -0.16 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.68 1quq s VAL 73 CO 0.07 -0.02 1.18 0.42 0.00 0.00 0.00 175.10 176.74 1quq s THR 74 N 2.78 2.07 0.32 3.92 -4.23 -0.63 0.39 115.64 120.26 1quq s THR 74 Ca 0.66 -0.09 0.37 0.00 -1.18 0.00 0.00 61.69 61.45 1quq s THR 74 Cb -0.32 -2.97 0.39 0.00 1.34 0.00 0.00 72.50 70.93 1quq s THR 74 CO 0.27 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.47 1quq h ALA 75 N -1.10 1.00 -0.63 3.99 0.00 -1.94 -2.00 119.26 118.58 1quq h ALA 75 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1quq h ALA 75 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1quq h ALA 75 CO 0.55 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1quq n LYS 76 N -2.89 4.28 -2.33 0.00 5.02 -1.26 -4.95 118.16 116.02 1quq n LYS 76 Ca -0.02 -3.03 -0.16 0.00 -2.02 0.00 0.00 58.31 53.08 1quq n LYS 76 Cb 0.13 -2.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.06 1quq n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1quq n ALA 77 N 0.95 -0.48 -2.38 7.82 0.00 -0.75 -5.03 120.51 120.64 1quq n ALA 77 Ca 0.27 0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 1quq n ALA 77 Cb 1.03 -1.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 1quq n ALA 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1quq s THR 78 N -2.81 1.66 -0.12 0.00 -4.23 -1.26 -4.62 115.64 104.27 1quq s THR 78 Ca 0.01 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1quq s THR 78 Cb -0.00 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1quq s THR 78 CO 0.01 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.25 1quq s ILE 79 N -2.77 2.22 -0.55 2.99 1.01 0.21 -1.60 121.20 122.71 1quq s ILE 79 Ca 0.35 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1quq s ILE 79 Cb -0.02 -1.87 0.08 0.00 0.01 0.00 0.00 42.46 40.66 1quq s ILE 79 CO 0.22 0.55 0.64 -0.22 0.00 0.00 0.00 174.94 176.14 1quq s LEU 80 N 0.47 5.26 0.17 2.97 1.98 0.13 -0.08 118.68 129.57 1quq s LEU 80 Ca -0.15 -1.22 -0.32 0.00 -2.89 0.00 0.00 54.13 49.55 1quq s LEU 80 Cb -0.17 -2.35 -0.10 0.00 0.66 0.00 0.00 46.19 44.23 1quq s LEU 80 CO 0.06 -0.98 1.59 0.00 -1.89 0.00 0.00 176.35 175.12 1quq n THR 82 N 3.99 1.44 -3.59 0.00 -1.04 0.05 -4.40 114.28 110.74 1quq n THR 82 Ca 0.14 -0.79 -0.06 0.00 -2.04 0.00 0.00 64.05 61.30 1quq n THR 82 Cb 0.38 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 1quq n THR 82 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1quq s SER 83 N -5.80 -0.20 0.04 8.00 1.04 -1.02 -4.80 113.70 110.94 1quq s SER 83 Ca -0.15 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.28 1quq s SER 83 Cb 0.07 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1quq s SER 83 CO 0.78 -0.28 0.20 -0.72 0.98 0.00 0.00 173.24 174.21 1quq s TYR 84 N -1.99 0.04 0.09 5.02 -0.85 -1.26 -0.76 117.35 117.63 1quq s TYR 84 Ca 0.06 -0.24 0.05 0.00 -0.52 0.00 0.00 57.07 56.43 1quq s TYR 84 Cb -0.01 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 1quq s TYR 84 CO -0.05 -0.43 -0.13 0.08 -1.52 0.00 0.00 175.55 173.50 1quq s VAL 85 N -2.48 1.12 -0.29 -3.49 1.01 0.20 -4.97 120.40 111.51 1quq s VAL 85 Ca -0.06 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 1quq s VAL 85 Cb -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1quq s VAL 85 CO -0.03 -0.34 0.09 -1.58 0.00 0.00 0.00 175.10 173.24 1quq s GLN 86 N -2.17 3.21 0.41 2.72 0.74 -1.26 0.54 119.66 123.84 1quq s GLN 86 Ca 0.02 -0.78 -0.27 0.00 0.05 0.00 0.00 55.36 54.38 1quq s GLN 86 Cb -0.07 -3.39 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 1quq s GLN 86 CO 0.02 -0.40 1.44 -0.06 -0.55 0.00 0.00 175.29 175.74 1quq s PHE 87 N 1.53 2.57 0.39 1.67 0.40 0.11 -4.98 117.98 119.66 1quq s PHE 87 Ca 0.03 1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 57.57 1quq s PHE 87 Cb -0.17 -3.94 -0.04 0.00 0.51 0.00 0.00 43.02 39.38 1quq s PHE 87 CO 0.03 -2.86 0.65 -1.59 0.70 0.00 0.00 175.22 172.15 1quq s LYS 88 N -2.24 3.55 -0.16 0.44 -2.85 -1.26 -4.62 119.74 112.60 1quq s LYS 88 Ca 0.56 -0.02 -0.04 0.00 -1.00 0.00 0.00 55.97 55.47 1quq s LYS 88 Cb -0.44 -2.53 0.06 0.00 -2.06 0.00 0.00 37.83 32.86 1quq s LYS 88 CO 0.59 0.01 0.12 -1.21 0.10 0.00 0.00 175.35 174.96 1quq s GLU 89 N -4.30 0.07 0.00 1.78 2.02 -1.26 -4.88 118.70 112.12 1quq s GLU 89 Ca 0.44 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1quq s GLU 89 Cb -0.10 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.64 1quq s GLU 89 CO 0.38 -0.61 0.00 -0.40 0.02 0.00 0.00 175.26 174.65 1quq n ASP 90 N 5.29 0.00 0.00 -0.19 3.85 -1.26 -4.79 116.55 119.45 1quq n ASP 90 Ca -0.06 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 54.06 1quq n ASP 90 Cb 0.49 0.00 0.26 0.00 -1.35 0.00 0.00 41.12 40.53 1quq n ASP 90 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1quq n SER 91 N 0.00 0.00 -4.07 -1.12 3.41 -1.26 -4.30 113.62 106.28 1quq n SER 91 Ca 0.00 -0.37 -0.32 0.00 -0.26 0.00 0.00 58.87 57.92 1quq n SER 91 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1quq n SER 91 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1quq s HIS 92 N -2.00 2.54 0.48 7.33 3.76 -1.26 -5.13 115.29 121.01 1quq s HIS 92 Ca 0.13 -1.52 -0.19 0.00 -0.15 0.00 0.00 55.06 53.33 1quq s HIS 92 Cb 0.06 -1.77 -0.09 0.00 1.11 0.00 0.00 32.58 31.89 1quq s HIS 92 CO 0.10 -0.76 0.97 -1.25 -0.85 0.00 0.00 174.74 172.96 1quq s PRO 93 N 1.36 4.05 0.01 8.40 0.04 -1.26 -4.77 135.00 142.83 1quq s PRO 93 Ca 0.04 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1quq s PRO 93 Cb -0.14 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1quq s PRO 93 CO -0.11 -0.19 1.24 0.12 0.04 0.00 0.00 177.00 178.10 1quq s PHE 94 N -2.40 3.24 -0.65 0.56 5.36 -1.26 -4.97 117.98 117.87 1quq s PHE 94 Ca 0.61 1.18 -0.21 0.00 -0.96 0.00 0.00 56.93 57.54 1quq s PHE 94 Cb -0.10 -3.47 0.08 0.00 -0.34 0.00 0.00 43.02 39.19 1quq s PHE 94 CO 0.23 -1.53 0.89 0.34 -1.46 0.00 0.00 175.22 173.70 1quq s ASP 95 N 1.35 6.19 0.36 6.13 -1.08 -1.26 -4.88 116.67 123.48 1quq s ASP 95 Ca 0.59 -1.15 0.16 0.00 -0.52 0.00 0.00 52.55 51.63 1quq s ASP 95 Cb -0.28 -2.38 0.66 0.00 -1.46 0.00 0.00 42.92 39.45 1quq s ASP 95 CO 0.26 -1.34 1.74 0.25 0.52 0.00 0.00 175.17 176.60 1quq h LEU 96 N 10.93 0.00 -0.27 -1.34 5.85 -1.94 -2.83 115.31 125.71 1quq h LEU 96 Ca -0.28 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1quq h LEU 96 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1quq h LEU 96 CO 1.16 0.42 0.16 1.23 -0.34 0.00 0.00 178.44 181.06 1quq h GLY 97 N 1.81 0.40 1.64 3.75 0.00 -1.90 -1.18 103.07 107.59 1quq h GLY 97 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1quq h GLY 97 CO 0.05 0.16 -0.43 1.41 0.00 0.00 0.00 176.54 177.74 1quq h LEU 98 N 0.34 0.42 -0.84 3.11 -0.00 -1.90 -2.57 115.31 113.87 1quq h LEU 98 Ca 0.10 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.88 57.74 1quq h LEU 98 Cb 0.03 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 1quq h LEU 98 CO -0.02 0.80 0.26 0.22 -0.00 0.00 0.00 178.44 179.70 1quq h TYR 99 N 0.33 1.15 -0.51 1.13 3.20 -1.22 -0.71 116.97 120.33 1quq h TYR 99 Ca 0.03 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 1quq h TYR 99 Cb 0.89 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1quq h TYR 99 CO 0.03 0.89 0.24 -0.97 -1.64 0.00 0.00 178.16 176.70 1quq h ASN 100 N 1.08 0.65 -0.34 -2.11 -1.24 -0.84 -1.44 115.58 111.35 1quq h ASN 100 Ca 0.24 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 57.05 1quq h ASN 100 Cb 0.26 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1quq h ASN 100 CO -0.01 0.57 -0.29 -0.33 -1.29 0.00 0.00 177.43 176.07 1quq h GLU 101 N 0.72 0.86 0.00 6.67 5.08 -1.04 -1.03 114.58 125.83 1quq h GLU 101 Ca 0.18 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1quq h GLU 101 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1quq h GLU 101 CO -0.02 1.03 -0.24 0.00 -1.00 0.00 0.00 179.01 178.78 1quq h ALA 102 N 0.94 1.26 -0.22 3.43 0.00 -0.53 0.05 119.26 124.19 1quq h ALA 102 Ca 0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1quq h ALA 102 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1quq h ALA 102 CO 0.07 0.30 -0.43 0.28 0.00 0.00 0.00 179.25 179.47 1quq h VAL 103 N 0.00 1.31 -0.22 0.00 2.07 -0.46 0.79 116.25 119.75 1quq h VAL 103 Ca -0.00 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.78 1quq h VAL 103 Cb 0.54 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1quq h VAL 103 CO 0.03 0.52 -0.26 0.11 0.02 0.00 0.00 177.57 177.99 1quq h LYS 104 N 0.38 0.41 -0.03 1.57 1.57 -0.77 -3.05 116.57 116.66 1quq h LYS 104 Ca 0.01 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1quq h LYS 104 Cb 1.03 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1quq h LYS 104 CO 0.10 0.64 -0.03 0.82 -0.57 0.00 0.00 179.45 180.41 1quq h ILE 105 N 0.36 1.40 -0.99 1.86 2.04 -0.79 -1.83 117.51 119.56 1quq h ILE 105 Ca 0.05 -1.23 0.30 0.00 1.00 0.00 0.00 64.86 64.99 1quq h ILE 105 Cb 0.65 2.16 -0.14 0.00 -0.74 0.00 0.00 36.82 38.75 1quq h ILE 105 CO 0.05 0.33 0.54 0.40 0.00 0.00 0.00 178.15 179.47 1quq h ILE 106 N -0.41 0.34 0.00 -0.67 2.04 -0.84 0.24 117.51 118.20 1quq h ILE 106 Ca 0.00 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1quq h ILE 106 Cb 0.55 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1quq h ILE 106 CO 0.01 0.06 -0.70 0.45 0.00 0.00 0.00 178.15 177.97 1quq h HIS 107 N 0.35 0.00 0.00 1.37 3.86 -1.48 -3.21 115.15 116.04 1quq h HIS 107 Ca 0.71 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.76 1quq h HIS 107 Cb 1.56 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.01 1quq h HIS 107 CO -0.03 0.30 -0.76 -0.44 0.86 0.00 0.00 177.93 177.85 1quq h ASP 108 N 0.00 0.00 -2.19 2.45 3.32 0.24 -3.36 116.42 116.88 1quq h ASP 108 Ca -0.04 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.43 1quq h ASP 108 Cb 1.26 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.40 1quq h ASP 108 CO 0.03 0.76 -0.73 0.49 -1.72 0.00 0.00 179.24 178.07 1quq n PHE 109 N -3.52 2.99 0.27 4.55 3.01 0.13 -4.90 117.46 119.98 1quq n PHE 109 Ca -0.00 -3.99 0.14 0.00 1.01 0.00 0.00 57.45 54.61 1quq n PHE 109 Cb 0.77 -0.49 0.86 0.00 -0.01 0.00 0.00 39.48 40.60 1quq n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1quq h PRO 110 N 3.57 0.00 0.00 -1.08 0.13 -1.72 -0.49 132.00 132.41 1quq h PRO 110 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1quq h PRO 110 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1quq h PRO 110 CO 0.75 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.96 1quq h GLN 111 N 0.00 0.00 -0.24 0.86 -0.00 -1.90 -2.62 115.11 111.21 1quq h GLN 111 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1quq h GLN 111 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1quq h GLN 111 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 180.02 1quq n PHE 112 N -2.66 0.32 -2.80 0.06 0.99 -0.22 -4.62 117.46 108.52 1quq n PHE 112 Ca 0.04 -0.37 -0.10 0.00 -0.00 0.00 0.00 57.45 57.01 1quq n PHE 112 Cb 0.41 -0.02 0.06 0.00 -1.00 0.00 0.00 39.48 38.92 1quq n PHE 112 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1quq n TYR 113 N 0.47 -2.69 -1.69 1.38 9.36 -1.02 -5.10 117.16 117.86 1quq n TYR 113 Ca 0.09 -2.19 -0.39 0.00 3.32 0.00 0.00 57.90 58.73 1quq n TYR 113 Cb 0.37 1.34 0.03 0.00 -0.63 0.00 0.00 39.34 40.46 1quq n TYR 113 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1quq n PRO 114 N 0.92 1.56 -3.30 2.98 -0.02 -0.99 -4.73 135.00 131.42 1quq n PRO 114 Ca 0.09 0.57 -0.47 0.00 -2.02 0.00 0.00 63.50 61.68 1quq n PRO 114 Cb 0.66 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1quq n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1quq s LEU 115 N -2.34 6.62 0.00 2.45 2.96 -1.26 -5.11 118.68 122.00 1quq s LEU 115 Ca 0.68 -2.65 0.00 0.00 -0.22 0.00 0.00 54.13 51.95 1quq s LEU 115 Cb -0.46 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1quq s LEU 115 CO 0.52 -0.61 0.00 0.61 -1.32 0.00 0.00 176.35 175.55