#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qin n GLY 9 N 0.00 2.07 3.78 -0.02 0.00 -1.26 -5.07 105.19 104.68 1qin n GLY 9 Ca 0.00 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1qin n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qin s LEU 10 N 0.00 4.08 0.76 0.99 1.43 -1.26 -5.03 118.68 119.65 1qin s LEU 10 Ca 0.00 2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1qin s LEU 10 Cb 0.00 -4.20 0.05 0.00 0.03 0.00 0.00 46.19 42.07 1qin s LEU 10 CO 0.00 -0.72 1.11 0.42 0.23 0.00 0.00 176.35 177.39 1qin s THR 11 N -1.58 3.14 0.17 5.49 -4.23 -1.26 -4.87 115.64 112.50 1qin s THR 11 Ca 0.61 0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 61.34 1qin s THR 11 Cb -0.26 -3.26 0.06 0.00 1.34 0.00 0.00 72.50 70.37 1qin s THR 11 CO 0.32 -0.48 1.79 0.44 -0.54 0.00 0.00 174.62 176.15 1qin h ASP 12 N -0.88 0.38 -0.31 3.99 3.32 -1.99 -1.37 116.42 119.56 1qin h ASP 12 Ca -0.46 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.63 1qin h ASP 12 Cb 1.27 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1qin h ASP 12 CO 0.62 0.27 0.16 -0.33 -1.72 0.00 0.00 179.24 178.24 1qin h GLU 13 N 0.50 0.32 -0.59 3.56 3.07 -1.99 -0.46 114.58 119.00 1qin h GLU 13 Ca 0.20 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1qin h GLU 13 Cb 0.07 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1qin h GLU 13 CO -0.12 0.21 0.09 0.00 -1.40 0.00 0.00 179.01 177.79 1qin h ALA 14 N 1.16 1.05 -0.24 3.43 0.00 -1.87 -1.32 119.26 121.47 1qin h ALA 14 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1qin h ALA 14 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qin h ALA 14 CO -0.08 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.89 1qin h ALA 15 N 1.20 0.31 -0.24 0.00 0.00 -0.91 -2.51 119.26 117.10 1qin h ALA 15 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1qin h ALA 15 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qin h ALA 15 CO 0.01 -0.12 0.05 -0.07 0.00 0.00 0.00 179.25 179.12 1qin h LEU 16 N 0.25 0.31 -1.96 0.00 3.38 -0.88 -1.74 115.31 114.68 1qin h LEU 16 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qin h LEU 16 Cb 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1qin h LEU 16 CO -0.01 0.33 -0.05 -1.28 0.09 0.00 0.00 178.44 177.52 1qin h SER 17 N 0.35 0.00 0.25 -0.43 0.87 -0.81 -2.05 113.55 111.73 1qin h SER 17 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1qin h SER 17 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1qin h SER 17 CO -0.00 0.05 -0.28 0.00 -0.53 0.00 0.00 176.83 176.07 1qin s SER 20 N -0.73 4.78 0.65 0.00 0.01 -1.26 -5.02 113.70 112.12 1qin s SER 20 Ca 0.19 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 56.89 1qin s SER 20 Cb -0.14 -1.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.07 1qin s SER 20 CO 0.08 0.08 1.14 -1.81 0.41 0.00 0.00 173.24 173.14 1qin s ASP 21 N -2.98 5.01 -0.04 2.44 1.01 -1.26 -4.93 116.67 115.92 1qin s ASP 21 Ca 0.28 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 55.36 1qin s ASP 21 Cb -0.09 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1qin s ASP 21 CO 0.19 -1.70 1.42 0.00 0.21 0.00 0.00 175.17 175.29 1qin s ALA 22 N -2.14 3.60 0.38 5.23 0.00 -1.26 -4.99 121.76 122.58 1qin s ALA 22 Ca 0.70 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 1qin s ALA 22 Cb -0.23 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.16 1qin s ALA 22 CO 0.40 -1.04 1.47 0.34 0.00 0.00 0.00 175.76 176.93 1qin s ASP 23 N 2.15 6.33 0.58 0.00 -1.08 -1.26 -4.89 116.67 118.50 1qin s ASP 23 Ca 0.64 3.01 0.28 0.00 -0.52 0.00 0.00 52.55 55.96 1qin s ASP 23 Cb -0.30 -2.67 1.60 0.00 -1.46 0.00 0.00 42.92 40.10 1qin s ASP 23 CO 0.25 -0.88 2.07 -0.65 0.52 0.00 0.00 175.17 176.48 1qin h PRO 24 N 2.96 0.00 0.00 4.34 0.11 -2.02 -1.69 132.00 135.70 1qin h PRO 24 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qin h PRO 24 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qin h PRO 24 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1qin n SER 25 N -3.86 0.00 -0.47 -2.05 3.41 -1.26 -2.62 113.62 106.77 1qin n SER 25 Ca 0.03 -0.73 0.05 0.00 -0.26 0.00 0.00 58.87 57.95 1qin n SER 25 Cb 0.38 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1qin n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qin n THR 26 N -1.01 0.51 0.13 6.66 -2.24 -0.63 -4.78 114.28 112.91 1qin n THR 26 Ca 0.18 -0.75 0.15 0.00 -2.27 0.00 0.00 64.05 61.36 1qin n THR 26 Cb 0.09 0.85 0.70 0.00 -2.10 0.00 0.00 70.33 69.86 1qin n THR 26 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1qin h LYS 27 N 1.83 0.00 -0.58 -0.78 2.10 -1.62 -2.01 116.57 115.52 1qin h LYS 27 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qin h LYS 27 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1qin h LYS 27 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1qin n ASP 28 N -4.34 3.66 -4.76 7.07 8.00 -1.26 -5.00 116.55 119.93 1qin n ASP 28 Ca 0.04 -2.07 -0.36 0.00 0.71 0.00 0.00 54.79 53.11 1qin n ASP 28 Cb 0.37 -0.41 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1qin n ASP 28 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qin s PHE 29 N -1.12 2.43 -0.00 1.24 0.40 -0.76 -5.05 117.98 115.12 1qin s PHE 29 Ca 0.40 1.51 -0.07 0.00 -0.60 0.00 0.00 56.93 58.17 1qin s PHE 29 Cb 0.22 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1qin s PHE 29 CO 0.26 -2.18 0.13 -0.48 0.70 0.00 0.00 175.22 173.64 1qin s LEU 30 N -3.94 1.59 -0.67 -0.37 0.05 -1.26 -5.09 118.68 108.99 1qin s LEU 30 Ca 0.76 -0.18 -0.23 0.00 0.05 0.00 0.00 54.13 54.53 1qin s LEU 30 Cb -0.31 0.62 0.06 0.00 -2.05 0.00 0.00 46.19 44.51 1qin s LEU 30 CO 0.34 -0.33 1.03 -0.22 -0.55 0.00 0.00 176.35 176.61 1qin s LEU 31 N -1.24 4.14 -0.10 1.48 2.96 -1.26 -4.87 118.68 119.79 1qin s LEU 31 Ca -0.13 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 52.88 1qin s LEU 31 Cb -0.07 -2.46 -0.26 0.00 0.50 0.00 0.00 46.19 43.90 1qin s LEU 31 CO 0.01 -1.51 0.46 -0.61 -1.32 0.00 0.00 176.35 173.38 1qin h GLN 32 N 9.65 0.21 -3.35 1.98 -0.00 -1.94 -2.53 115.11 119.14 1qin h GLN 32 Ca -0.29 -0.36 -0.04 0.00 -0.00 0.00 0.00 58.65 57.96 1qin h GLN 32 Cb 1.07 0.13 -0.12 0.00 0.00 0.00 0.00 27.48 28.56 1qin h GLN 32 CO 1.20 1.06 -0.03 1.14 0.00 0.00 0.00 178.83 182.19 1qin s GLN 33 N -2.57 1.14 -0.08 1.69 -2.07 -1.26 -1.25 119.66 115.26 1qin s GLN 33 Ca -0.18 -0.71 0.02 0.00 -1.82 0.00 0.00 55.36 52.67 1qin s GLN 33 Cb 0.07 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.49 1qin s GLN 33 CO 0.79 -0.46 -0.12 0.99 -1.32 0.00 0.00 175.29 175.18 1qin s THR 34 N -3.81 1.16 -0.16 3.63 2.01 -0.94 -4.94 115.64 112.59 1qin s THR 34 Ca 0.04 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1qin s THR 34 Cb 0.01 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1qin s THR 34 CO -0.11 0.37 -0.03 -0.32 -0.69 0.00 0.00 174.62 173.84 1qin s MET 35 N 0.95 3.68 -0.02 4.92 1.75 -1.26 -0.72 119.30 128.61 1qin s MET 35 Ca -0.09 -0.50 0.05 0.00 -1.25 0.00 0.00 55.69 53.90 1qin s MET 35 Cb -0.15 -2.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.57 1qin s MET 35 CO 0.00 0.26 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.95 1qin s LEU 36 N 0.31 2.02 0.08 4.11 1.43 -0.03 -4.98 118.68 121.62 1qin s LEU 36 Ca -0.03 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1qin s LEU 36 Cb -0.14 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.12 1qin s LEU 36 CO 0.03 0.21 0.69 -0.13 0.23 0.00 0.00 176.35 177.38 1qin s ARG 37 N -0.35 4.42 -0.04 1.70 0.52 -1.26 -0.97 118.95 122.96 1qin s ARG 37 Ca 0.05 0.96 0.04 0.00 -0.52 0.00 0.00 55.73 56.27 1qin s ARG 37 Cb -0.07 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 1qin s ARG 37 CO -0.00 0.47 -0.16 0.14 0.02 0.00 0.00 175.30 175.77 1qin s VAL 38 N -0.68 1.38 0.15 3.52 -7.23 -0.36 -4.86 120.40 112.31 1qin s VAL 38 Ca 0.34 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 1qin s VAL 38 Cb -0.21 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1qin s VAL 38 CO 0.22 0.40 1.53 0.50 -0.31 0.00 0.00 175.10 177.44 1qin h LYS 39 N 6.28 0.98 -3.10 4.82 3.64 -1.94 -3.41 116.57 123.84 1qin h LYS 39 Ca -0.32 -0.43 -0.49 0.00 -1.27 0.00 0.00 60.65 58.13 1qin h LYS 39 Cb 1.17 -0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.56 1qin h LYS 39 CO 0.48 1.10 -0.76 0.34 -2.27 0.00 0.00 179.45 178.34 1qin s ASP 40 N -6.72 2.75 0.45 4.20 -1.08 -1.26 -2.12 116.67 112.89 1qin s ASP 40 Ca -0.11 -0.83 0.19 0.00 -0.52 0.00 0.00 52.55 51.28 1qin s ASP 40 Cb 0.12 -0.35 1.07 0.00 -1.46 0.00 0.00 42.92 42.30 1qin s ASP 40 CO 0.87 -0.36 1.95 1.55 0.52 0.00 0.00 175.17 179.70 1qin h PRO 41 N 8.37 0.00 -0.30 4.34 0.13 -1.98 -2.47 132.00 140.09 1qin h PRO 41 Ca -0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qin h PRO 41 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1qin h PRO 41 CO 0.34 0.23 0.19 0.87 -0.23 0.00 0.00 178.00 179.39 1qin h LYS 42 N 0.00 0.41 -0.39 0.86 1.57 -1.99 0.77 116.57 117.80 1qin h LYS 42 Ca -0.00 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1qin h LYS 42 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1qin h LYS 42 CO 0.03 0.30 -0.07 0.87 -0.57 0.00 0.00 179.45 180.01 1qin h LYS 43 N 0.39 0.73 -0.38 3.15 1.57 -1.93 -2.81 116.57 117.31 1qin h LYS 43 Ca 0.11 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1qin h LYS 43 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1qin h LYS 43 CO -0.02 0.86 0.13 0.77 -0.57 0.00 0.00 179.45 180.62 1qin h SER 44 N 0.54 0.54 -0.56 0.86 0.02 -1.28 -1.07 113.55 112.60 1qin h SER 44 Ca 0.10 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1qin h SER 44 Cb 0.57 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1qin h SER 44 CO 0.03 0.58 0.31 -0.07 -1.14 0.00 0.00 176.83 176.54 1qin h LEU 45 N 0.46 0.70 -0.46 5.07 3.38 -0.90 0.35 115.31 123.91 1qin h LEU 45 Ca 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1qin h LEU 45 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1qin h LEU 45 CO -0.01 0.59 0.26 -0.78 0.09 0.00 0.00 178.44 178.59 1qin h ASP 46 N 0.75 0.57 0.21 -0.43 3.58 -1.37 -1.15 116.42 118.59 1qin h ASP 46 Ca 0.20 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1qin h ASP 46 Cb 0.05 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1qin h ASP 46 CO -0.03 0.49 -0.10 0.15 -2.88 0.00 0.00 179.24 176.87 1qin h PHE 47 N 0.61 -0.26 -0.06 0.28 3.57 -0.75 0.14 116.94 120.47 1qin h PHE 47 Ca 0.16 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1qin h PHE 47 Cb 0.04 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1qin h PHE 47 CO -0.02 -0.06 -0.38 1.88 -2.23 0.00 0.00 178.31 177.49 1qin h TYR 48 N -0.41 0.15 0.00 0.41 0.05 -0.90 -1.30 116.97 114.97 1qin h TYR 48 Ca -0.03 -0.04 -0.19 0.00 0.05 0.00 0.00 58.73 58.52 1qin h TYR 48 Cb 0.31 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1qin h TYR 48 CO -0.03 0.50 -1.05 1.79 -1.05 0.00 0.00 178.16 178.32 1qin h THR 49 N 0.11 1.06 -0.02 -2.88 1.35 -1.17 -1.22 112.91 110.13 1qin h THR 49 Ca 0.01 -2.20 -0.06 0.00 -0.55 0.00 0.00 66.41 63.61 1qin h THR 49 Cb 0.73 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1qin h THR 49 CO 0.05 0.36 -0.21 -0.09 -0.25 0.00 0.00 175.52 175.38 1qin h ARG 50 N -1.00 0.19 0.01 4.72 2.43 -1.06 -2.04 114.38 117.62 1qin h ARG 50 Ca -0.29 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1qin h ARG 50 Cb 1.25 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1qin h ARG 50 CO -0.18 0.86 -0.00 0.28 -1.51 0.00 0.00 179.97 179.42 1qin h VAL 51 N -0.42 1.60 -0.01 0.20 2.07 -1.29 -3.38 116.25 115.02 1qin h VAL 51 Ca -0.02 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1qin h VAL 51 Cb 0.91 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1qin h VAL 51 CO 0.04 0.50 -0.48 0.18 0.02 0.00 0.00 177.57 177.83 1qin n LEU 52 N -4.69 1.27 -0.60 2.57 4.77 -0.96 -4.99 117.00 114.37 1qin n LEU 52 Ca -0.09 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.40 1qin n LEU 52 Cb 0.40 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1qin n LEU 52 CO 0.33 0.25 -0.07 0.61 -1.33 0.00 0.00 177.39 177.17 1qin n GLY 53 N 1.42 0.69 3.90 -0.72 0.00 -0.77 -4.96 105.19 104.74 1qin n GLY 53 Ca 0.09 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1qin n GLY 53 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qin s MET 54 N -3.06 2.96 -0.08 1.61 -1.94 -0.48 -4.89 119.30 113.41 1qin s MET 54 Ca 0.00 0.27 0.01 0.00 -1.71 0.00 0.00 55.69 54.26 1qin s MET 54 Cb 0.00 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.67 1qin s MET 54 CO 0.00 -0.83 -0.10 0.99 -0.01 0.00 0.00 175.02 175.07 1qin s THR 55 N -3.17 3.46 -0.47 2.05 2.01 0.11 -4.29 115.64 115.34 1qin s THR 55 Ca 0.56 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1qin s THR 55 Cb -0.11 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 70.02 1qin s THR 55 CO 0.49 0.58 1.26 -0.22 -0.69 0.00 0.00 174.62 176.04 1qin s LEU 56 N -0.57 3.58 0.00 4.42 2.96 -1.26 -1.45 118.68 126.35 1qin s LEU 56 Ca 0.08 0.53 0.22 0.00 -0.22 0.00 0.00 54.13 54.74 1qin s LEU 56 Cb -0.12 -3.47 -0.21 0.00 0.50 0.00 0.00 46.19 42.89 1qin s LEU 56 CO 0.02 -1.38 0.77 2.30 -1.32 0.00 0.00 176.35 176.74 1qin n ILE 57 N 6.92 0.04 -3.64 6.68 -5.35 -0.12 -4.98 119.36 118.91 1qin n ILE 57 Ca 0.13 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1qin n ILE 57 Cb 0.49 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.77 1qin n ILE 57 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1qin s GLN 58 N -3.24 0.44 -0.09 6.28 2.00 -1.20 -4.90 119.66 118.95 1qin s GLN 58 Ca 0.01 0.64 0.05 0.00 -2.00 0.00 0.00 55.36 54.05 1qin s GLN 58 Cb 0.15 0.15 -0.00 0.00 0.80 0.00 0.00 33.01 34.11 1qin s GLN 58 CO 0.87 -0.07 -0.24 0.21 -0.50 0.00 0.00 175.29 175.56 1qin s LYS 59 N 0.81 2.92 -0.04 1.67 2.20 -1.26 -0.75 119.74 125.29 1qin s LYS 59 Ca -0.03 -0.89 0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1qin s LYS 59 Cb -0.04 -2.27 -0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1qin s LYS 59 CO -0.11 0.23 -0.18 0.00 -0.36 0.00 0.00 175.35 174.94 1qin s ASP 61 N 0.01 2.74 -0.55 0.00 1.01 -1.26 -0.44 116.67 118.17 1qin s ASP 61 Ca -0.03 -0.44 0.04 0.00 0.71 0.00 0.00 52.55 52.83 1qin s ASP 61 Cb -0.11 -0.56 0.16 0.00 1.01 0.00 0.00 42.92 43.42 1qin s ASP 61 CO 0.02 0.24 0.38 -0.36 0.21 0.00 0.00 175.17 175.66 1qin s PHE 62 N -0.29 2.51 0.34 4.23 0.08 -0.35 -4.99 117.98 119.51 1qin s PHE 62 Ca 0.02 -2.85 0.05 0.00 0.12 0.00 0.00 56.93 54.27 1qin s PHE 62 Cb -0.11 -2.05 0.69 0.00 -0.57 0.00 0.00 43.02 40.98 1qin s PHE 62 CO 0.01 -0.69 1.92 -1.35 -0.10 0.00 0.00 175.22 175.01 1qin h PRO 63 N 5.84 0.81 -0.55 0.24 0.11 -1.97 0.16 132.00 136.64 1qin h PRO 63 Ca 0.13 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1qin h PRO 63 Cb 0.84 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1qin h PRO 63 CO 0.57 0.54 0.03 0.82 -0.21 0.00 0.00 178.00 179.74 1qin h ILE 64 N 0.83 1.25 -0.12 4.15 2.04 -1.95 -2.70 117.51 121.01 1qin h ILE 64 Ca 0.38 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1qin h ILE 64 Cb 0.37 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1qin h ILE 64 CO -0.15 0.38 0.00 0.23 0.00 0.00 0.00 178.15 178.61 1qin n MET 65 N -4.20 2.04 -3.59 2.37 2.81 -0.86 -5.00 117.12 110.69 1qin n MET 65 Ca 0.03 -1.54 -0.22 0.00 -1.81 0.00 0.00 57.70 54.16 1qin n MET 65 Cb 0.31 -1.46 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1qin n MET 65 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qin n LYS 66 N 0.82 -3.80 -3.66 0.03 5.02 -0.01 -4.95 118.16 111.60 1qin n LYS 66 Ca 0.17 0.65 -0.11 0.00 -2.02 0.00 0.00 58.31 57.00 1qin n LYS 66 Cb 0.47 -5.15 -0.05 0.00 -0.02 0.00 0.00 35.03 30.28 1qin n LYS 66 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1qin s PHE 67 N -3.55 -0.21 0.17 2.13 -0.12 -1.14 -1.79 117.98 113.47 1qin s PHE 67 Ca 0.18 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.13 1qin s PHE 67 Cb -0.05 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 1qin s PHE 67 CO 0.80 -0.65 -0.17 -1.12 -0.05 0.00 0.00 175.22 174.04 1qin s SER 68 N -2.51 2.55 -0.05 1.98 0.01 -0.33 -1.21 113.70 114.14 1qin s SER 68 Ca 0.00 -0.89 0.04 0.00 1.31 0.00 0.00 55.95 56.41 1qin s SER 68 Cb 0.01 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1qin s SER 68 CO -0.08 -0.08 -0.16 -0.76 0.41 0.00 0.00 173.24 172.56 1qin s LEU 69 N -2.79 1.89 -0.18 2.44 1.43 0.42 -0.76 118.68 121.13 1qin s LEU 69 Ca 0.16 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1qin s LEU 69 Cb -0.04 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1qin s LEU 69 CO 0.06 0.14 -0.15 -0.31 0.23 0.00 0.00 176.35 176.32 1qin s TYR 70 N 0.10 2.53 -0.23 0.29 1.51 -0.23 -0.75 117.35 120.58 1qin s TYR 70 Ca -0.05 -1.57 -0.13 0.00 -1.01 0.00 0.00 57.07 54.31 1qin s TYR 70 Cb -0.12 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1qin s TYR 70 CO 0.02 -0.75 0.27 -0.06 -1.11 0.00 0.00 175.55 173.92 1qin s PHE 71 N 1.36 3.33 0.09 2.71 0.40 0.07 -0.67 117.98 125.27 1qin s PHE 71 Ca 0.02 0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.83 1qin s PHE 71 Cb -0.15 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1qin s PHE 71 CO -0.10 0.01 -0.21 -0.51 0.70 0.00 0.00 175.22 175.11 1qin s LEU 72 N 1.23 2.51 0.18 -0.37 1.43 0.46 -0.94 118.68 123.19 1qin s LEU 72 Ca 0.13 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 1qin s LEU 72 Cb -0.14 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.70 1qin s LEU 72 CO 0.06 0.21 0.69 0.00 0.23 0.00 0.00 176.35 177.55 1qin s ALA 73 N -1.01 -1.50 -1.14 4.21 0.00 -0.53 -0.68 121.76 121.11 1qin s ALA 73 Ca 0.15 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1qin s ALA 73 Cb -0.10 0.82 0.17 0.00 0.00 0.00 0.00 23.12 24.01 1qin s ALA 73 CO 0.07 -0.87 1.34 0.71 0.00 0.00 0.00 175.76 177.00 1qin s TYR 74 N -3.72 3.51 0.05 0.00 2.02 -1.26 0.08 117.35 118.03 1qin s TYR 74 Ca 0.05 -2.05 0.02 0.00 -0.37 0.00 0.00 57.07 54.72 1qin s TYR 74 Cb -0.03 -4.26 -0.03 0.00 -0.40 0.00 0.00 41.96 37.25 1qin s TYR 74 CO -0.05 -1.36 -0.07 -1.21 -1.57 0.00 0.00 175.55 171.29 1qin s GLU 75 N 1.49 0.56 0.04 -0.62 0.41 -1.26 -5.03 118.70 114.30 1qin s GLU 75 Ca 0.39 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.79 1qin s GLU 75 Cb -0.04 -0.23 -0.04 0.00 -1.78 0.00 0.00 34.13 32.04 1qin s GLU 75 CO -0.02 0.03 1.06 0.34 -0.49 0.00 0.00 175.26 176.17 1qin s ASP 76 N -1.86 7.27 0.42 -0.19 2.15 -1.26 -4.63 116.67 118.57 1qin s ASP 76 Ca -0.06 1.82 0.16 0.00 0.43 0.00 0.00 52.55 54.89 1qin s ASP 76 Cb -0.07 -2.58 1.04 0.00 -0.30 0.00 0.00 42.92 41.01 1qin s ASP 76 CO -0.01 -0.31 1.90 0.50 -0.17 0.00 0.00 175.17 177.07 1qin h LYS 77 N 6.59 0.43 0.00 4.34 3.64 -1.99 -0.83 116.57 128.76 1qin h LYS 77 Ca -0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1qin h LYS 77 Cb 1.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1qin h LYS 77 CO 0.77 0.28 0.00 0.09 -2.27 0.00 0.00 179.45 178.32 1qin n ASN 78 N -4.49 0.15 -0.20 4.20 3.02 -1.26 -2.44 115.26 114.23 1qin n ASN 78 Ca 0.16 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.37 1qin n ASN 78 Cb 0.57 -0.57 0.25 0.00 -0.61 0.00 0.00 39.78 39.43 1qin n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qin n ASP 79 N -1.66 1.03 -4.66 6.41 8.00 -0.32 -4.87 116.55 120.48 1qin n ASP 79 Ca 0.04 -0.82 -0.43 0.00 0.71 0.00 0.00 54.79 54.29 1qin n ASP 79 Cb 0.21 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1qin n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qin s ILE 80 N -2.67 4.17 0.72 0.53 1.01 -1.02 -4.99 121.20 118.95 1qin s ILE 80 Ca 0.19 1.43 -0.16 0.00 0.00 0.00 0.00 60.65 62.10 1qin s ILE 80 Cb 0.18 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1qin s ILE 80 CO 0.60 -0.11 1.26 -2.84 0.00 0.00 0.00 174.94 173.85 1qin s PRO 81 N 3.42 2.13 -0.02 2.79 0.02 -1.26 -4.97 135.00 137.10 1qin s PRO 81 Ca 0.58 1.95 -0.07 0.00 0.02 0.00 0.00 61.00 63.47 1qin s PRO 81 Cb -0.24 -1.81 -0.29 0.00 0.02 0.00 0.00 34.50 32.18 1qin s PRO 81 CO 0.18 -1.89 0.76 0.87 -0.33 0.00 0.00 177.00 176.59 1qin h LYS 82 N -0.10 0.33 -6.62 5.54 1.79 -1.96 -3.42 116.57 112.14 1qin h LYS 82 Ca -0.49 -0.57 -0.53 0.00 -2.18 0.00 0.00 60.65 56.89 1qin h LYS 82 Cb 1.32 0.21 0.02 0.00 -1.58 0.00 0.00 32.23 32.21 1qin h LYS 82 CO 0.50 1.22 0.63 -1.21 -1.08 0.00 0.00 179.45 179.51 1qin s GLU 83 N -2.60 4.41 0.17 3.15 2.02 -1.26 -4.91 118.70 119.68 1qin s GLU 83 Ca -0.12 1.97 -0.22 0.00 0.02 0.00 0.00 54.97 56.62 1qin s GLU 83 Cb 0.06 -3.24 0.07 0.00 0.10 0.00 0.00 34.13 31.12 1qin s GLU 83 CO 0.86 -0.25 1.60 -0.22 0.02 0.00 0.00 175.26 177.26 1qin h LYS 84 N 5.84 -0.22 -0.53 1.61 3.64 -1.99 0.20 116.57 125.12 1qin h LYS 84 Ca -0.44 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 1qin h LYS 84 Cb 1.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1qin h LYS 84 CO 0.79 -0.15 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.28 1qin h ASP 85 N -0.23 0.98 -0.36 4.20 5.19 -1.99 -2.36 116.42 121.85 1qin h ASP 85 Ca 0.18 -0.32 -0.10 0.00 -0.62 0.00 0.00 57.03 56.17 1qin h ASP 85 Cb 0.53 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1qin h ASP 85 CO -0.55 1.09 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.19 1qin h GLU 86 N 0.88 0.81 -0.10 3.56 5.08 -1.82 -2.68 114.58 120.31 1qin h GLU 86 Ca 0.14 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1qin h GLU 86 Cb 0.66 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1qin h GLU 86 CO 0.05 0.91 0.06 -0.22 -1.00 0.00 0.00 179.01 178.81 1qin h LYS 87 N 0.73 0.13 -0.64 2.33 3.64 -0.40 -0.83 116.57 121.53 1qin h LYS 87 Ca 0.12 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1qin h LYS 87 Cb 0.64 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1qin h LYS 87 CO 0.04 0.08 0.31 0.82 -2.27 0.00 0.00 179.45 178.44 1qin h ILE 88 N 0.13 1.22 -0.52 2.00 2.04 -1.39 0.30 117.51 121.30 1qin h ILE 88 Ca 0.04 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1qin h ILE 88 Cb -0.01 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1qin h ILE 88 CO -0.01 0.26 0.02 0.00 0.00 0.00 0.00 178.15 178.42 1qin h ALA 89 N 1.14 1.07 -0.12 1.87 0.00 -1.33 -1.59 119.26 120.30 1qin h ALA 89 Ca 0.22 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1qin h ALA 89 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qin h ALA 89 CO -0.03 0.59 -0.22 2.35 0.00 0.00 0.00 179.25 181.94 1qin h TRP 90 N 0.80 0.45 -0.60 0.00 7.01 -0.93 -2.96 115.95 119.72 1qin h TRP 90 Ca 0.16 -0.16 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1qin h TRP 90 Cb 0.45 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 1qin h TRP 90 CO 0.03 0.84 0.26 0.00 -2.79 0.00 0.00 178.44 176.77 1qin h ALA 91 N 0.54 0.78 -0.07 2.65 0.00 -0.83 -2.53 119.26 119.79 1qin h ALA 91 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qin h ALA 91 Cb 0.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1qin h ALA 91 CO 0.05 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.95 1qin n LEU 92 N -4.48 0.62 -0.33 0.00 4.77 -0.61 -2.94 117.00 114.03 1qin n LEU 92 Ca 0.04 -0.27 0.03 0.00 -0.03 0.00 0.00 56.01 55.78 1qin n LEU 92 Cb 0.15 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1qin n LEU 92 CO 0.39 0.13 0.49 -1.54 -1.33 0.00 0.00 177.39 175.53 1qin n SER 93 N -0.34 2.17 -4.78 -1.43 3.41 -0.97 -5.00 113.62 106.68 1qin n SER 93 Ca 0.13 -1.73 -0.37 0.00 -0.26 0.00 0.00 58.87 56.64 1qin n SER 93 Cb 0.15 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1qin n SER 93 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qin s ARG 94 N -0.83 4.45 0.56 4.33 1.81 -1.11 -5.04 118.95 123.12 1qin s ARG 94 Ca 0.11 1.43 -0.15 0.00 -1.72 0.00 0.00 55.73 55.40 1qin s ARG 94 Cb 0.06 -2.75 -0.06 0.00 -0.45 0.00 0.00 34.95 31.76 1qin s ARG 94 CO 0.09 0.13 1.01 0.15 -0.68 0.00 0.00 175.30 176.00 1qin s LYS 95 N -2.15 3.69 -1.23 3.54 1.02 -1.26 -4.47 119.74 118.88 1qin s LYS 95 Ca 0.52 0.98 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 1qin s LYS 95 Cb -0.21 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1qin s LYS 95 CO 0.27 -0.49 0.72 0.00 -0.92 0.00 0.00 175.35 174.93 1qin n ALA 96 N -1.95 -2.26 -2.95 5.17 0.00 -0.95 -4.96 120.51 112.60 1qin n ALA 96 Ca 0.07 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1qin n ALA 96 Cb 0.54 -3.12 -0.02 0.00 0.00 0.00 0.00 19.45 16.85 1qin n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qin s THR 97 N -3.60 5.26 -0.18 0.00 -4.23 -0.38 -4.68 115.64 107.82 1qin s THR 97 Ca 0.22 -0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1qin s THR 97 Cb -0.07 -3.85 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 1qin s THR 97 CO 0.83 -0.32 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.28 1qin s LEU 98 N -3.94 2.79 -0.29 4.79 2.96 0.15 -2.22 118.68 122.93 1qin s LEU 98 Ca 0.34 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1qin s LEU 98 Cb -0.09 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1qin s LEU 98 CO 0.29 0.06 0.10 -0.70 -1.32 0.00 0.00 176.35 174.78 1qin s GLU 99 N 1.01 3.33 -0.21 1.98 2.12 0.11 -0.40 118.70 126.63 1qin s GLU 99 Ca -0.01 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.54 1qin s GLU 99 Cb -0.15 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1qin s GLU 99 CO -0.01 -0.36 0.07 -0.51 -0.54 0.00 0.00 175.26 173.91 1qin s LEU 100 N 1.57 3.69 -0.24 2.70 1.43 0.16 -0.85 118.68 127.13 1qin s LEU 100 Ca 0.04 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1qin s LEU 100 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1qin s LEU 100 CO 0.04 0.09 0.13 -0.89 0.23 0.00 0.00 176.35 175.94 1qin s THR 101 N 0.90 4.97 -0.34 5.49 2.01 -0.14 -1.07 115.64 127.45 1qin s THR 101 Ca 0.04 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 1qin s THR 101 Cb -0.14 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.08 1qin s THR 101 CO 0.03 0.34 0.14 -2.28 -0.69 0.00 0.00 174.62 172.16 1qin s HIS 102 N 1.26 3.23 -0.31 4.92 2.46 0.06 -1.23 115.29 125.67 1qin s HIS 102 Ca 0.06 -1.12 -0.27 0.00 0.47 0.00 0.00 55.06 54.20 1qin s HIS 102 Cb -0.14 -2.34 0.01 0.00 -0.13 0.00 0.00 32.58 29.98 1qin s HIS 102 CO 0.05 -0.66 0.99 -0.80 -2.47 0.00 0.00 174.74 171.85 1qin s ASN 103 N 1.49 6.86 0.27 9.88 0.01 -1.26 -1.18 114.94 131.00 1qin s ASN 103 Ca 0.01 0.94 -0.30 0.00 -0.71 0.00 0.00 52.86 52.80 1qin s ASN 103 Cb -0.19 -2.50 -0.13 0.00 0.41 0.00 0.00 41.25 38.84 1qin s ASN 103 CO 0.04 -0.79 1.34 0.79 -1.51 0.00 0.00 177.10 176.97 1qin n TRP 104 N 6.64 2.12 0.00 2.20 8.01 -0.74 -2.78 117.44 132.89 1qin n TRP 104 Ca 0.09 0.49 0.00 0.00 -1.31 0.00 0.00 57.50 56.78 1qin n TRP 104 Cb 0.47 -2.43 0.00 0.00 -2.01 0.00 0.00 31.31 27.34 1qin n TRP 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qin n GLY 105 N 1.69 3.16 0.22 6.99 0.00 -1.26 -4.94 105.19 111.04 1qin n GLY 105 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1qin n GLY 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qin h THR 106 N 0.00 1.15 0.00 2.61 1.35 -1.75 -2.60 112.91 113.67 1qin h THR 106 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1qin h THR 106 Cb 0.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1qin h THR 106 CO 0.00 0.20 0.00 1.05 -0.25 0.00 0.00 175.52 176.52 1qin h GLU 107 N 0.02 0.00 -0.21 4.72 9.09 -1.71 -2.54 114.58 123.94 1qin h GLU 107 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1qin h GLU 107 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1qin h GLU 107 CO 0.03 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.84 1qin n ASP 108 N -3.04 2.79 -4.38 3.06 8.00 -0.98 -4.91 116.55 117.10 1qin n ASP 108 Ca -0.00 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 1qin n ASP 108 Cb 0.23 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 1qin n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qin s ASP 109 N -1.26 5.92 0.58 -2.24 -1.08 -0.96 -4.96 116.67 112.67 1qin s ASP 109 Ca 0.26 -1.17 0.33 0.00 -0.52 0.00 0.00 52.55 51.45 1qin s ASP 109 Cb 0.16 -2.09 1.77 0.00 -1.46 0.00 0.00 42.92 41.30 1qin s ASP 109 CO 0.22 -0.51 2.18 -0.33 0.52 0.00 0.00 175.17 177.26 1qin h GLU 110 N 8.57 0.00 -0.10 4.34 3.07 -1.91 -2.28 114.58 126.27 1qin h GLU 110 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1qin h GLU 110 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1qin h GLU 110 CO 0.76 0.05 0.00 0.25 -1.40 0.00 0.00 179.01 178.67 1qin n THR 111 N -3.50 0.12 -4.30 1.13 -2.24 -1.26 -4.92 114.28 99.31 1qin n THR 111 Ca -0.02 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.10 1qin n THR 111 Cb 0.17 0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 68.87 1qin n THR 111 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qin s GLN 112 N -1.88 2.63 -0.06 -0.78 -0.44 -0.86 -5.11 119.66 113.17 1qin s GLN 112 Ca 0.35 -0.71 -0.29 0.00 -2.50 0.00 0.00 55.36 52.20 1qin s GLN 112 Cb 0.20 -2.57 0.11 0.00 -1.64 0.00 0.00 33.01 29.10 1qin s GLN 112 CO 0.30 0.59 0.92 -1.54 0.50 0.00 0.00 175.29 176.06 1qin s SER 113 N -1.72 -0.37 0.32 6.67 1.04 -1.26 -4.97 113.70 113.41 1qin s SER 113 Ca 0.20 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.80 1qin s SER 113 Cb -0.11 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1qin s SER 113 CO 0.11 -0.53 0.49 -0.31 0.98 0.00 0.00 173.24 173.98 1qin s TYR 114 N -2.48 3.42 -0.16 5.02 2.02 -1.26 -5.10 117.35 118.81 1qin s TYR 114 Ca 0.03 0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.83 1qin s TYR 114 Cb -0.01 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1qin s TYR 114 CO -0.05 0.17 0.04 -1.58 -1.57 0.00 0.00 175.55 172.56 1qin s HIS 115 N -2.22 3.22 -1.78 2.71 5.65 -1.26 -4.97 115.29 116.63 1qin s HIS 115 Ca 0.39 0.04 0.30 0.00 0.25 0.00 0.00 55.06 56.04 1qin s HIS 115 Cb -0.09 -2.01 1.47 0.00 -1.18 0.00 0.00 32.58 30.76 1qin s HIS 115 CO 0.33 0.19 1.99 0.27 -0.65 0.00 0.00 174.74 176.88 1qin n ASN 116 N 3.27 0.34 0.00 9.88 0.23 -1.26 -4.93 115.26 122.79 1qin n ASN 116 Ca -0.17 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1qin n ASN 116 Cb 0.53 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1qin n ASN 116 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qin n GLY 117 N 1.19 1.37 1.05 4.83 0.00 -1.26 -4.64 105.19 107.73 1qin n GLY 117 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1qin n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qin n ASN 118 N 0.00 3.20 -4.24 1.61 3.02 -1.26 -2.15 115.26 115.44 1qin n ASN 118 Ca 0.00 -2.00 -0.15 0.00 -0.03 0.00 0.00 54.58 52.40 1qin n ASN 118 Cb 0.00 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 1qin n ASN 118 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qin s SER 119 N -1.80 1.85 0.25 6.41 1.04 -1.26 -4.98 113.70 115.21 1qin s SER 119 Ca 0.32 -0.94 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 1qin s SER 119 Cb 0.21 -0.03 -0.14 0.00 0.10 0.00 0.00 66.02 66.16 1qin s SER 119 CO 0.31 -0.26 1.26 0.47 0.98 0.00 0.00 173.24 175.99 1qin n ASP 120 N 0.07 2.15 -4.72 7.02 8.00 -1.26 -3.31 116.55 124.51 1qin n ASP 120 Ca -0.12 1.16 -0.40 0.00 0.71 0.00 0.00 54.79 56.13 1qin n ASP 120 Cb 0.59 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.29 1qin n ASP 120 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1qin s PRO 121 N -0.84 4.47 0.53 -0.24 0.04 -1.26 -5.09 135.00 132.62 1qin s PRO 121 Ca 0.66 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.66 1qin s PRO 121 Cb -0.69 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1qin s PRO 121 CO 0.54 0.07 0.87 1.03 0.04 0.00 0.00 177.00 179.55 1qin s ARG 122 N 0.74 3.56 0.00 4.56 0.52 -1.21 -4.71 118.95 122.41 1qin s ARG 122 Ca 0.41 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1qin s ARG 122 Cb -0.19 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1qin s ARG 122 CO 0.21 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1qin n GLY 123 N -2.44 -1.23 3.65 -3.53 0.00 -0.91 -5.04 105.19 95.69 1qin n GLY 123 Ca 0.02 0.66 -0.40 0.00 0.00 0.00 0.00 46.02 46.31 1qin n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qin n PHE 124 N 0.00 1.48 -0.02 1.61 7.35 -1.26 -4.96 117.46 121.67 1qin n PHE 124 Ca 0.00 0.51 -0.05 0.00 -0.76 0.00 0.00 57.45 57.15 1qin n PHE 124 Cb 0.00 -2.27 -0.02 0.00 0.35 0.00 0.00 39.48 37.54 1qin n PHE 124 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qin n GLY 125 N 1.06 -0.22 3.67 7.13 0.00 -1.26 -4.13 105.19 111.44 1qin n GLY 125 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1qin n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qin s HIS 126 N -2.32 -0.11 0.20 1.61 -3.43 -1.26 -4.39 115.29 105.59 1qin s HIS 126 Ca -0.12 -0.09 0.06 0.00 -0.80 0.00 0.00 55.06 54.11 1qin s HIS 126 Cb 0.03 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 1qin s HIS 126 CO 0.17 -0.54 0.14 0.96 -2.00 0.00 0.00 174.74 173.47 1qin s ILE 127 N -2.87 4.35 -0.01 -5.38 -4.36 -1.11 -4.99 121.20 106.83 1qin s ILE 127 Ca 0.12 -1.27 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 1qin s ILE 127 Cb 0.01 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.45 1qin s ILE 127 CO -0.01 -0.21 -0.11 -0.83 0.24 0.00 0.00 174.94 174.02 1qin s GLY 128 N -3.37 0.53 -0.17 6.27 0.00 -1.26 -0.82 107.32 108.48 1qin s GLY 128 Ca 0.31 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1qin s GLY 128 CO 0.23 -0.39 -0.08 -0.42 0.00 0.00 0.00 173.10 172.44 1qin s ILE 129 N -0.26 3.29 -0.11 0.90 -1.09 0.44 -4.92 121.20 119.46 1qin s ILE 129 Ca 0.04 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 57.72 1qin s ILE 129 Cb -0.04 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1qin s ILE 129 CO -0.00 0.48 0.53 0.00 -1.23 0.00 0.00 174.94 174.71 1qin s ALA 130 N 0.86 3.44 0.15 9.38 0.00 -1.26 -1.94 121.76 132.39 1qin s ALA 130 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1qin s ALA 130 Cb -0.15 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1qin s ALA 130 CO 0.01 -0.02 -0.12 0.14 0.00 0.00 0.00 175.76 175.77 1qin s VAL 131 N 0.66 1.30 0.38 0.00 -7.23 -0.09 -4.94 120.40 110.47 1qin s VAL 131 Ca 0.29 -2.02 0.12 0.00 -1.81 0.00 0.00 61.98 58.56 1qin s VAL 131 Cb -0.16 -1.81 0.11 0.00 0.56 0.00 0.00 36.38 35.07 1qin s VAL 131 CO 0.12 -0.66 1.85 -0.65 -0.31 0.00 0.00 175.10 175.45 1qin h PRO 132 N 2.89 0.04 -1.72 4.82 0.11 -1.97 -3.38 132.00 132.78 1qin h PRO 132 Ca -0.37 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1qin h PRO 132 Cb 1.20 -0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 1qin h PRO 132 CO 0.61 0.36 -0.40 0.34 -0.21 0.00 0.00 178.00 178.70 1qin s ASP 133 N -6.94 -0.28 0.16 -2.05 -1.08 -1.26 -5.00 116.67 100.22 1qin s ASP 133 Ca -0.03 0.51 -0.13 0.00 -0.52 0.00 0.00 52.55 52.38 1qin s ASP 133 Cb 0.15 1.45 0.04 0.00 -1.46 0.00 0.00 42.92 43.10 1qin s ASP 133 CO 0.73 -0.28 1.68 0.58 0.52 0.00 0.00 175.17 178.40 1qin h VAL 134 N 6.13 1.23 -0.28 1.11 2.07 -1.89 -2.34 116.25 122.28 1qin h VAL 134 Ca -0.20 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1qin h VAL 134 Cb 1.15 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1qin h VAL 134 CO 0.25 0.29 0.11 1.88 0.02 0.00 0.00 177.57 180.12 1qin h TYR 135 N 0.72 0.43 -0.23 1.57 -1.99 -1.96 -0.28 116.97 115.24 1qin h TYR 135 Ca 0.17 -0.04 -0.13 0.00 2.00 0.00 0.00 58.73 60.74 1qin h TYR 135 Cb 0.29 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1qin h TYR 135 CO 0.02 0.44 -0.40 0.66 -0.00 0.00 0.00 178.16 178.88 1qin h SER 136 N 0.30 0.55 -0.56 3.88 4.64 -1.99 -1.40 113.55 118.97 1qin h SER 136 Ca 0.09 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1qin h SER 136 Cb 0.20 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1qin h SER 136 CO -0.01 0.89 0.27 0.00 -0.87 0.00 0.00 176.83 177.11 1qin h ALA 137 N 1.14 0.72 -0.00 5.18 0.00 -1.22 -2.29 119.26 122.80 1qin h ALA 137 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1qin h ALA 137 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qin h ALA 137 CO 0.08 0.29 -0.46 0.00 0.00 0.00 0.00 179.25 179.15 1qin h LYS 139 N 0.00 0.68 -0.47 0.00 3.64 -1.00 0.59 116.57 120.02 1qin h LYS 139 Ca -0.00 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 1qin h LYS 139 Cb 0.82 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1qin h LYS 139 CO 0.06 0.64 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.76 1qin h ARG 140 N 0.59 0.85 -0.80 1.90 2.43 -1.00 -1.52 114.38 116.82 1qin h ARG 140 Ca 0.15 -0.28 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1qin h ARG 140 Cb 0.22 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1qin h ARG 140 CO -0.01 0.91 0.50 0.74 -1.51 0.00 0.00 179.97 180.60 1qin h PHE 141 N 0.70 0.94 -0.49 2.20 0.04 -0.91 -1.43 116.94 117.99 1qin h PHE 141 Ca 0.13 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1qin h PHE 141 Cb 0.54 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1qin h PHE 141 CO 0.04 0.52 0.20 0.93 -0.60 0.00 0.00 178.31 179.40 1qin h GLU 142 N 0.96 0.73 -0.36 1.51 5.08 -0.64 -1.82 114.58 120.05 1qin h GLU 142 Ca 0.33 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1qin h GLU 142 Cb 0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1qin h GLU 142 CO -0.13 0.65 0.24 0.93 -1.00 0.00 0.00 179.01 179.70 1qin h GLU 143 N 0.65 0.29 -0.01 2.33 5.08 -0.70 -1.04 114.58 121.17 1qin h GLU 143 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1qin h GLU 143 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qin h GLU 143 CO -0.01 0.19 -0.00 1.28 -1.00 0.00 0.00 179.01 179.46 1qin n LEU 144 N -4.48 1.07 0.00 1.33 4.77 -0.59 -4.93 117.00 114.17 1qin n LEU 144 Ca 0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1qin n LEU 144 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1qin n LEU 144 CO 0.35 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1qin n GLY 145 N 1.13 0.48 3.77 -0.72 0.00 -0.39 -5.02 105.19 104.43 1qin n GLY 145 Ca 0.20 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1qin n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qin s VAL 146 N -2.00 2.66 -0.03 1.61 1.01 -0.73 -4.98 120.40 117.95 1qin s VAL 146 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 1qin s VAL 146 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1qin s VAL 146 CO 0.00 0.09 0.78 -0.75 0.00 0.00 0.00 175.10 175.21 1qin s LYS 147 N -2.23 4.48 -0.12 2.72 2.20 -1.26 -4.75 119.74 120.78 1qin s LYS 147 Ca 0.57 1.04 -0.06 0.00 -0.36 0.00 0.00 55.97 57.16 1qin s LYS 147 Cb -0.38 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1qin s LYS 147 CO 0.48 0.09 0.11 -0.06 -0.36 0.00 0.00 175.35 175.60 1qin s PHE 148 N 0.66 3.48 -0.15 4.03 0.40 -1.26 -1.44 117.98 123.70 1qin s PHE 148 Ca 0.41 0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 57.10 1qin s PHE 148 Cb -0.19 -1.91 -0.24 0.00 0.51 0.00 0.00 43.02 41.18 1qin s PHE 148 CO 0.21 0.65 0.27 0.28 0.70 0.00 0.00 175.22 177.33 1qin n VAL 149 N 2.10 1.72 -3.54 -0.44 0.31 0.75 -4.90 118.33 114.33 1qin n VAL 149 Ca -0.19 -0.59 -0.13 0.00 -0.01 0.00 0.00 64.34 63.41 1qin n VAL 149 Cb 0.55 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.64 1qin n VAL 149 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1qin s LYS 150 N -2.54 0.22 0.67 5.55 2.20 -0.47 -4.94 119.74 120.44 1qin s LYS 150 Ca -0.25 0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 55.83 1qin s LYS 150 Cb 0.07 -0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 35.97 1qin s LYS 150 CO 0.73 -0.46 1.05 0.15 -0.36 0.00 0.00 175.35 176.46 1qin s LYS 151 N 2.45 3.11 0.28 4.03 1.02 -1.26 -0.66 119.74 128.69 1qin s LYS 151 Ca 0.05 0.93 0.01 0.00 0.02 0.00 0.00 55.97 56.99 1qin s LYS 151 Cb -0.14 -2.01 0.58 0.00 -0.52 0.00 0.00 37.83 35.74 1qin s LYS 151 CO -0.12 -0.97 1.79 -1.35 -0.92 0.00 0.00 175.35 173.79 1qin h PRO 152 N -0.53 0.77 -0.09 -1.68 0.11 -1.94 -1.44 132.00 127.18 1qin h PRO 152 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qin h PRO 152 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1qin h PRO 152 CO 0.58 0.51 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 1qin n ASP 153 N -4.76 2.19 -4.90 -2.05 8.00 -1.26 -1.12 116.55 112.65 1qin n ASP 153 Ca 0.19 -1.74 -0.21 0.00 0.71 0.00 0.00 54.79 53.73 1qin n ASP 153 Cb 0.43 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.54 1qin n ASP 153 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qin s ASP 154 N -1.85 5.02 0.40 -2.24 1.01 -0.54 -4.95 116.67 113.51 1qin s ASP 154 Ca 0.34 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.41 1qin s ASP 154 Cb 0.20 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.60 1qin s ASP 154 CO 0.31 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 174.95 1qin n GLY 155 N -2.45 -0.41 0.13 0.21 0.00 -1.26 -4.57 105.19 96.84 1qin n GLY 155 Ca 0.11 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1qin n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qin n LYS 156 N 0.00 0.69 -3.38 1.61 5.02 -1.26 -4.80 118.16 116.04 1qin n LYS 156 Ca 0.00 0.34 -0.43 0.00 -2.02 0.00 0.00 58.31 56.20 1qin n LYS 156 Cb 0.00 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.22 1qin n LYS 156 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1qin s MET 157 N -2.50 3.05 0.33 1.97 -1.94 -1.26 -5.06 119.30 113.88 1qin s MET 157 Ca -0.26 -0.87 -0.24 0.00 -1.71 0.00 0.00 55.69 52.61 1qin s MET 157 Cb 0.07 -3.97 -0.10 0.00 2.01 0.00 0.00 34.83 32.84 1qin s MET 157 CO 0.70 -0.80 0.91 0.15 -0.01 0.00 0.00 175.02 175.97 1qin s LYS 158 N 1.93 4.47 0.00 2.03 -0.14 -1.26 -3.91 119.74 122.86 1qin s LYS 158 Ca 0.09 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 55.92 1qin s LYS 158 Cb -0.18 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 1qin s LYS 158 CO 0.12 0.24 0.00 0.41 -0.76 0.00 0.00 175.35 175.36 1qin n GLY 159 N 0.36 0.55 3.35 -3.33 0.00 -0.28 -5.03 105.19 100.81 1qin n GLY 159 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1qin n GLY 159 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1qin s LEU 160 N 0.00 2.35 0.20 0.99 0.05 -1.25 -4.62 118.68 116.41 1qin s LEU 160 Ca 0.00 -0.77 0.06 0.00 0.05 0.00 0.00 54.13 53.47 1qin s LEU 160 Cb 0.00 -1.03 -0.05 0.00 -2.05 0.00 0.00 46.19 43.06 1qin s LEU 160 CO 0.00 0.09 -0.09 0.00 -0.55 0.00 0.00 176.35 175.80 1qin s ALA 161 N -1.38 1.87 -0.09 1.48 0.00 -0.71 -3.94 121.76 118.99 1qin s ALA 161 Ca 0.13 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1qin s ALA 161 Cb -0.09 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1qin s ALA 161 CO 0.06 -0.06 -0.09 -0.06 0.00 0.00 0.00 175.76 175.62 1qin s PHE 162 N -3.16 1.38 0.43 0.00 0.08 0.16 -0.19 117.98 116.68 1qin s PHE 162 Ca 0.23 -0.60 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1qin s PHE 162 Cb 0.02 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 1qin s PHE 162 CO 0.06 -0.40 0.29 0.96 -0.10 0.00 0.00 175.22 176.03 1qin s ILE 163 N 1.30 2.39 0.06 0.64 -4.36 -0.24 -0.18 121.20 120.81 1qin s ILE 163 Ca -0.03 -1.52 0.08 0.00 -0.26 0.00 0.00 60.65 58.92 1qin s ILE 163 Cb -0.14 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.63 1qin s ILE 163 CO -0.03 0.00 -0.23 -1.10 0.24 0.00 0.00 174.94 173.82 1qin s GLN 164 N -4.04 1.46 0.59 0.37 -0.21 -0.52 -0.73 119.66 116.58 1qin s GLN 164 Ca 0.43 -1.06 -0.04 0.00 0.02 0.00 0.00 55.36 54.71 1qin s GLN 164 Cb 0.00 -1.66 0.12 0.00 1.00 0.00 0.00 33.01 32.48 1qin s GLN 164 CO 0.25 0.42 0.80 -0.40 -2.12 0.00 0.00 175.29 174.24 1qin n ASP 165 N 1.62 0.67 0.27 5.90 5.75 -0.66 -4.52 116.55 125.59 1qin n ASP 165 Ca -0.17 -1.66 0.11 0.00 -0.01 0.00 0.00 54.79 53.05 1qin n ASP 165 Cb 0.53 -0.56 0.76 0.00 -1.03 0.00 0.00 41.12 40.82 1qin n ASP 165 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1qin h PRO 166 N 0.00 0.00 -0.01 0.11 0.11 -1.91 -0.98 132.00 129.33 1qin h PRO 166 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1qin h PRO 166 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1qin h PRO 166 CO 0.24 0.02 -0.22 -0.25 -0.21 0.00 0.00 178.00 177.58 1qin n ASP 167 N -4.17 0.98 0.00 -2.05 9.92 -1.26 -4.93 116.55 115.04 1qin n ASP 167 Ca -0.03 -0.89 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1qin n ASP 167 Cb 0.10 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1qin n ASP 167 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qin n GLY 168 N 1.32 0.55 3.77 0.44 0.00 -0.37 -4.77 105.19 106.12 1qin n GLY 168 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1qin n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qin s TYR 169 N -2.18 2.92 -0.00 1.61 2.02 -1.26 -4.69 117.35 115.76 1qin s TYR 169 Ca 0.00 1.45 -0.21 0.00 -0.37 0.00 0.00 57.07 57.94 1qin s TYR 169 Cb 0.00 -3.60 -0.05 0.00 -0.40 0.00 0.00 41.96 37.91 1qin s TYR 169 CO 0.00 -1.85 0.62 -1.58 -1.57 0.00 0.00 175.55 171.16 1qin s TRP 170 N -1.28 3.68 -0.17 2.71 0.52 -1.26 -1.65 118.94 121.49 1qin s TRP 170 Ca 0.56 1.23 0.01 0.00 0.02 0.00 0.00 56.10 57.91 1qin s TRP 170 Cb -0.36 -2.64 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1qin s TRP 170 CO 0.47 0.32 -0.16 0.42 0.02 0.00 0.00 176.95 178.02 1qin s ILE 171 N -0.10 1.75 0.14 2.03 1.01 0.09 -2.76 121.20 123.37 1qin s ILE 171 Ca 0.32 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 1qin s ILE 171 Cb -0.18 -1.64 -0.08 0.00 0.01 0.00 0.00 42.46 40.57 1qin s ILE 171 CO 0.18 0.45 0.71 -0.70 0.00 0.00 0.00 174.94 175.58 1qin s GLU 172 N 1.41 4.43 -0.26 2.79 2.12 -0.00 -1.08 118.70 128.10 1qin s GLU 172 Ca 0.04 1.00 -0.02 0.00 0.36 0.00 0.00 54.97 56.36 1qin s GLU 172 Cb -0.13 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.07 1qin s GLU 172 CO -0.11 0.57 -0.05 0.42 -0.54 0.00 0.00 175.26 175.56 1qin s ILE 173 N -1.18 2.96 0.06 -3.70 -1.09 0.74 -0.42 121.20 118.57 1qin s ILE 173 Ca 0.34 -1.04 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1qin s ILE 173 Cb -0.21 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 1qin s ILE 173 CO 0.24 0.16 -0.07 -1.48 -1.23 0.00 0.00 174.94 172.56 1qin s LEU 174 N 1.33 2.36 -0.30 2.97 2.34 -0.82 -1.74 118.68 124.83 1qin s LEU 174 Ca -0.00 -0.74 -0.01 0.00 0.06 0.00 0.00 54.13 53.44 1qin s LEU 174 Cb -0.17 -0.11 0.05 0.00 -0.56 0.00 0.00 46.19 45.41 1qin s LEU 174 CO -0.04 -0.32 -0.01 0.21 -1.06 0.00 0.00 176.35 175.13 1qin s ASN 175 N -2.19 4.83 0.53 1.48 3.84 -1.26 -0.91 114.94 121.25 1qin s ASN 175 Ca -0.01 -1.33 0.21 0.00 0.21 0.00 0.00 52.86 51.93 1qin s ASN 175 Cb -0.03 -1.69 1.34 0.00 -0.55 0.00 0.00 41.25 40.31 1qin s ASN 175 CO -0.02 -0.26 2.07 -0.65 -2.79 0.00 0.00 177.10 175.45 1qin h PRO 176 N 7.96 0.00 -0.08 0.43 0.11 -1.96 -1.75 132.00 136.71 1qin h PRO 176 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1qin h PRO 176 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qin h PRO 176 CO 0.53 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 1qin n ASN 177 N -4.45 0.81 -0.08 -2.05 3.02 -1.26 -3.68 115.26 107.56 1qin n ASN 177 Ca 0.03 -1.56 0.04 0.00 -0.03 0.00 0.00 54.58 53.06 1qin n ASN 177 Cb 0.35 -0.05 0.06 0.00 -0.61 0.00 0.00 39.78 39.53 1qin n ASN 177 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qin n LYS 178 N -0.25 1.69 0.03 3.52 4.76 -0.66 -4.78 118.16 122.47 1qin n LYS 178 Ca 0.15 -1.79 0.11 0.00 -2.87 0.00 0.00 58.31 53.91 1qin n LYS 178 Cb 0.19 -1.10 0.03 0.00 -1.84 0.00 0.00 35.03 32.31 1qin n LYS 178 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1qin n MET 179 N -0.78 0.28 0.31 1.97 2.81 -1.23 -4.48 117.12 115.99 1qin n MET 179 Ca 0.07 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 56.14 1qin n MET 179 Cb 0.48 -1.59 1.01 0.00 -0.71 0.00 0.00 33.22 32.41 1qin n MET 179 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qin h ALA 180 N 2.56 1.18 -0.01 3.04 0.00 -1.86 -2.34 119.26 121.83 1qin h ALA 180 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qin h ALA 180 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qin h ALA 180 CO 0.00 0.02 -0.18 0.25 0.00 0.00 0.00 179.25 179.35 1qin n THR 181 N -3.37 0.00 0.38 0.00 -2.24 -1.26 -4.02 114.28 103.76 1qin n THR 181 Ca -0.02 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1qin n THR 181 Cb 0.12 0.54 0.42 0.00 -2.10 0.00 0.00 70.33 69.31 1qin n THR 181 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1qin h LEU 182 N 1.82 0.00 -1.40 3.22 3.38 -1.72 -3.53 115.31 117.08 1qin h LEU 182 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qin h LEU 182 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qin h LEU 182 CO 0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76