#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpf n PRO 11 N 0.00 1.11 -3.66 1.97 -0.04 -1.26 -4.57 135.00 128.55 2qpf n PRO 11 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2qpf n PRO 11 Cb 0.00 -0.15 -0.16 0.00 -0.04 0.00 0.00 33.50 33.15 2qpf n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qpf s LEU 12 N -0.37 0.80 0.05 1.53 2.96 -1.25 -0.21 118.68 122.19 2qpf s LEU 12 Ca 0.00 -0.84 0.08 0.00 -0.22 0.00 0.00 54.13 53.15 2qpf s LEU 12 Cb 0.00 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 2qpf s LEU 12 CO 0.00 -0.35 -0.21 -0.04 -1.32 0.00 0.00 176.35 174.43 2qpf s MET 13 N 2.00 1.95 -0.03 1.98 -1.94 0.05 -4.45 119.30 118.85 2qpf s MET 13 Ca 0.02 -1.05 0.07 0.00 -1.71 0.00 0.00 55.69 53.02 2qpf s MET 13 Cb -0.16 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 2qpf s MET 13 CO -0.13 0.52 -0.23 0.08 -0.01 0.00 0.00 175.02 175.25 2qpf s VAL 14 N -0.91 1.86 -0.03 -6.03 1.01 -1.11 -0.49 120.40 114.70 2qpf s VAL 14 Ca 0.14 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2qpf s VAL 14 Cb -0.10 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2qpf s VAL 14 CO 0.05 0.53 0.01 -0.54 0.00 0.00 0.00 175.10 175.14 2qpf s LYS 15 N -0.45 0.29 -0.04 2.72 1.02 -0.43 -1.16 119.74 121.69 2qpf s LYS 15 Ca 0.06 0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.18 2qpf s LYS 15 Cb -0.10 -0.54 0.01 0.00 -0.52 0.00 0.00 37.83 36.69 2qpf s LYS 15 CO 0.00 -0.17 -0.09 0.08 -0.92 0.00 0.00 175.35 174.25 2qpf s VAL 16 N 1.24 0.84 0.14 3.17 1.01 0.08 -0.54 120.40 126.34 2qpf s VAL 16 Ca -0.07 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.69 2qpf s VAL 16 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2qpf s VAL 16 CO -0.02 0.28 -0.26 -0.76 0.00 0.00 0.00 175.10 174.34 2qpf s LEU 17 N 0.56 2.33 -0.29 3.92 1.43 -0.52 -1.04 118.68 125.07 2qpf s LEU 17 Ca -0.10 -0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2qpf s LEU 17 Cb -0.13 -1.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 2qpf s LEU 17 CO 0.02 0.16 0.10 -0.62 0.23 0.00 0.00 176.35 176.23 2qpf s ASP 18 N -2.13 5.22 0.00 2.29 -1.08 0.77 -1.22 116.67 120.52 2qpf s ASP 18 Ca 0.14 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 51.88 2qpf s ASP 18 Cb -0.10 -1.92 1.11 0.00 -1.46 0.00 0.00 42.92 40.56 2qpf s ASP 18 CO 0.06 -0.16 1.83 0.00 0.52 0.00 0.00 175.17 177.42 2qpf n ALA 19 N 4.91 2.60 0.02 3.66 0.00 -0.01 -1.39 120.51 130.30 2qpf n ALA 19 Ca -0.15 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 2qpf n ALA 19 Cb 0.49 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 2qpf n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qpf h VAL 20 N 0.03 0.79 0.00 0.00 2.07 -1.95 -3.40 116.25 113.80 2qpf h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2qpf h VAL 20 Cb 0.48 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2qpf h VAL 20 CO 0.00 0.83 -1.31 0.54 0.02 0.00 0.00 177.57 177.65 2qpf n ARG 21 N -3.64 0.35 -3.19 1.57 1.74 -1.23 -4.99 116.66 107.27 2qpf n ARG 21 Ca -0.29 -0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 56.59 2qpf n ARG 21 Cb 1.01 -1.56 0.07 0.00 -1.02 0.00 0.00 32.46 30.96 2qpf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qpf n GLY 22 N 1.35 -0.22 3.34 -0.13 0.00 -0.49 -5.03 105.19 104.02 2qpf n GLY 22 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2qpf n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qpf s SER 23 N -4.08 0.07 0.55 1.61 1.04 -1.12 -5.01 113.70 106.76 2qpf s SER 23 Ca 0.02 -1.02 -0.21 0.00 0.48 0.00 0.00 55.95 55.22 2qpf s SER 23 Cb -0.01 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2qpf s SER 23 CO 0.60 -0.91 1.33 -2.65 0.98 0.00 0.00 173.24 172.59 2qpf n PRO 24 N -0.24 1.61 -2.98 4.02 -0.02 -1.26 -0.16 135.00 135.97 2qpf n PRO 24 Ca -0.04 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 2qpf n PRO 24 Cb 0.63 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 2qpf n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qpf s ALA 25 N -1.30 3.28 0.01 3.55 0.00 -0.21 -4.56 121.76 122.52 2qpf s ALA 25 Ca 0.72 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 2qpf s ALA 25 Cb -0.42 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 2qpf s ALA 25 CO 0.49 -2.04 0.30 0.08 0.00 0.00 0.00 175.76 174.58 2qpf s VAL 26 N 3.31 5.24 -1.39 0.00 1.01 -1.26 -4.31 120.40 123.00 2qpf s VAL 26 Ca 0.27 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 2qpf s VAL 26 Cb -0.14 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2qpf s VAL 26 CO 0.20 0.40 1.12 0.47 0.00 0.00 0.00 175.10 177.29 2qpf n ASP 27 N 1.25 -6.31 -4.65 3.32 8.00 -0.64 -4.95 116.55 112.57 2qpf n ASP 27 Ca -0.12 -0.53 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 2qpf n ASP 27 Cb 0.53 -4.98 -0.03 0.00 -0.02 0.00 0.00 41.12 36.62 2qpf n ASP 27 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qpf s VAL 28 N -3.31 4.76 0.04 2.53 1.01 -1.26 -4.77 120.40 119.39 2qpf s VAL 28 Ca 0.57 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 64.03 2qpf s VAL 28 Cb -0.25 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 2qpf s VAL 28 CO 0.70 -0.13 1.45 0.00 0.00 0.00 0.00 175.10 177.12 2qpf s ALA 29 N 3.02 3.60 -0.13 5.51 0.00 -1.26 -1.85 121.76 130.66 2qpf s ALA 29 Ca 0.39 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2qpf s ALA 29 Cb -0.15 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2qpf s ALA 29 CO 0.07 -0.89 -0.16 0.08 0.00 0.00 0.00 175.76 174.86 2qpf s VAL 30 N 2.18 2.73 -0.09 0.00 1.01 0.97 -0.97 120.40 126.23 2qpf s VAL 30 Ca 0.66 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2qpf s VAL 30 Cb -0.34 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2qpf s VAL 30 CO 0.28 0.53 -0.19 -0.54 0.00 0.00 0.00 175.10 175.18 2qpf s LYS 31 N 0.44 2.48 -0.09 2.72 1.02 -0.46 -1.37 119.74 124.49 2qpf s LYS 31 Ca -0.12 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2qpf s LYS 31 Cb -0.16 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 2qpf s LYS 31 CO 0.05 0.11 -0.11 0.08 -0.92 0.00 0.00 175.35 174.57 2qpf s VAL 32 N 0.48 3.33 0.17 3.17 1.01 0.72 -0.58 120.40 128.70 2qpf s VAL 32 Ca -0.17 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.31 2qpf s VAL 32 Cb -0.17 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2qpf s VAL 32 CO 0.07 0.56 -0.21 -0.36 0.00 0.00 0.00 175.10 175.15 2qpf s PHE 33 N -0.30 2.04 -0.04 5.22 0.40 0.42 -1.62 117.98 124.10 2qpf s PHE 33 Ca 0.03 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 2qpf s PHE 33 Cb -0.13 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 2qpf s PHE 33 CO 0.03 0.39 -0.22 0.21 0.70 0.00 0.00 175.22 176.32 2qpf s LYS 34 N -2.60 2.07 0.19 0.44 2.20 -0.34 -1.34 119.74 120.36 2qpf s LYS 34 Ca 0.17 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 2qpf s LYS 34 Cb -0.07 -1.85 -0.08 0.00 -1.51 0.00 0.00 37.83 34.32 2qpf s LYS 34 CO 0.08 0.38 1.02 0.21 -0.36 0.00 0.00 175.35 176.68 2qpf s LYS 35 N -0.24 4.70 0.59 4.03 2.20 -0.69 -1.96 119.74 128.37 2qpf s LYS 35 Ca 0.01 1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 57.20 2qpf s LYS 35 Cb -0.11 -3.29 0.12 0.00 -1.51 0.00 0.00 37.83 33.04 2qpf s LYS 35 CO 0.02 0.25 0.81 0.25 -0.36 0.00 0.00 175.35 176.32 2qpf n THR 36 N 2.08 0.00 -0.10 3.43 -2.24 -0.13 -4.75 114.28 112.57 2qpf n THR 36 Ca 0.01 -1.19 -0.06 0.00 -2.27 0.00 0.00 64.05 60.54 2qpf n THR 36 Cb 0.47 -1.06 0.01 0.00 -2.10 0.00 0.00 70.33 67.65 2qpf n THR 36 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qpf h SER 37 N -0.57 0.11 1.11 3.42 0.02 -1.97 -2.57 113.55 113.10 2qpf h SER 37 Ca -0.27 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2qpf h SER 37 Cb 0.96 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2qpf h SER 37 CO 0.27 0.10 0.00 1.05 -1.14 0.00 0.00 176.83 177.11 2qpf h GLU 38 N 0.25 0.00 -0.14 3.45 4.11 -2.03 -3.46 114.58 116.75 2qpf h GLU 38 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 2qpf h GLU 38 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2qpf h GLU 38 CO -0.17 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.32 2qpf n GLY 39 N 0.45 1.24 3.74 1.06 0.00 -0.97 -5.11 105.19 105.60 2qpf n GLY 39 Ca 0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2qpf n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qpf s SER 40 N -2.23 5.33 -0.51 1.61 0.15 -1.26 -4.81 113.70 111.98 2qpf s SER 40 Ca 0.00 -0.09 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 2qpf s SER 40 Cb 0.00 -1.37 0.06 0.00 -1.71 0.00 0.00 66.02 63.00 2qpf s SER 40 CO 0.00 0.16 0.66 0.26 1.20 0.00 0.00 173.24 175.53 2qpf s TRP 41 N -1.39 3.02 -0.06 3.44 0.23 -1.26 -0.95 118.94 121.96 2qpf s TRP 41 Ca 0.28 -0.47 -0.04 0.00 -2.03 0.00 0.00 56.10 53.84 2qpf s TRP 41 Cb -0.12 -3.60 -0.04 0.00 0.03 0.00 0.00 33.47 29.75 2qpf s TRP 41 CO 0.21 -1.07 0.15 -1.21 0.96 0.00 0.00 176.95 175.99 2qpf s GLU 42 N 2.78 3.39 0.30 4.98 2.02 -0.83 -4.90 118.70 126.44 2qpf s GLU 42 Ca 0.17 -0.26 -0.28 0.00 0.02 0.00 0.00 54.97 54.62 2qpf s GLU 42 Cb -0.18 -3.11 -0.14 0.00 0.10 0.00 0.00 34.13 30.80 2qpf s GLU 42 CO 0.13 0.72 1.02 -2.30 0.02 0.00 0.00 175.26 174.85 2qpf n PRO 43 N 1.44 1.39 0.00 0.39 -0.02 -1.26 -1.20 135.00 135.73 2qpf n PRO 43 Ca -0.15 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2qpf n PRO 43 Cb 0.54 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2qpf n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qpf n PHE 44 N 0.19 0.00 -3.49 6.00 7.35 -0.64 -4.70 117.46 122.17 2qpf n PHE 44 Ca 0.09 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.66 2qpf n PHE 44 Cb 0.33 0.30 -0.03 0.00 0.35 0.00 0.00 39.48 40.43 2qpf n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qpf s ALA 45 N -1.97 -1.42 0.13 3.13 0.00 -1.00 -5.02 121.76 115.61 2qpf s ALA 45 Ca 0.00 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 2qpf s ALA 45 Cb 0.00 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.97 2qpf s ALA 45 CO 0.00 -0.71 0.56 -1.54 0.00 0.00 0.00 175.76 174.07 2qpf s SER 46 N -2.68 -0.50 0.00 0.00 1.04 -1.26 -0.20 113.70 110.09 2qpf s SER 46 Ca 0.01 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2qpf s SER 46 Cb -0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2qpf s SER 46 CO -0.12 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2qpf n GLY 47 N -0.23 -1.26 3.01 7.32 0.00 -0.47 -4.95 105.19 108.61 2qpf n GLY 47 Ca -0.17 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 2qpf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpf s LYS 48 N -0.56 0.50 0.54 1.61 1.02 -1.26 -0.02 119.74 121.57 2qpf s LYS 48 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.35 2qpf s LYS 48 Cb 0.00 -0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 36.86 2qpf s LYS 48 CO 0.00 0.10 1.27 0.95 -0.92 0.00 0.00 175.35 176.75 2qpf s THR 49 N -0.62 2.45 0.32 2.17 -4.23 -0.77 -4.79 115.64 110.17 2qpf s THR 49 Ca -0.02 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 2qpf s THR 49 Cb -0.05 -3.15 0.07 0.00 1.34 0.00 0.00 72.50 70.70 2qpf s THR 49 CO 0.00 -0.02 0.43 0.00 -0.54 0.00 0.00 174.62 174.49 2qpf n ALA 50 N -1.07 -0.14 0.21 3.99 0.00 -0.17 -1.62 120.51 121.71 2qpf n ALA 50 Ca 0.11 -0.74 0.14 0.00 0.00 0.00 0.00 53.44 52.95 2qpf n ALA 50 Cb 0.47 0.07 0.75 0.00 0.00 0.00 0.00 19.45 20.74 2qpf n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qpf h GLU 51 N 0.00 0.00 0.00 0.00 4.39 -1.93 0.68 114.58 117.71 2qpf h GLU 51 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2qpf h GLU 51 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2qpf h GLU 51 CO 0.13 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.85 2qpf n SER 52 N -4.19 0.00 0.00 1.42 3.41 -1.26 -4.74 113.62 108.26 2qpf n SER 52 Ca 0.01 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2qpf n SER 52 Cb 0.24 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2qpf n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpf n GLY 53 N 0.21 0.80 3.65 5.00 0.00 0.23 -4.76 105.19 110.31 2qpf n GLY 53 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2qpf n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpf s GLU 54 N -0.03 2.34 -0.11 1.61 2.02 -1.26 -0.74 118.70 122.53 2qpf s GLU 54 Ca 0.00 -1.15 -0.01 0.00 0.02 0.00 0.00 54.97 53.83 2qpf s GLU 54 Cb 0.00 -2.31 0.03 0.00 0.10 0.00 0.00 34.13 31.95 2qpf s GLU 54 CO 0.00 0.45 -0.04 -1.17 0.02 0.00 0.00 175.26 174.52 2qpf s LEU 55 N -2.97 1.01 0.30 1.80 2.96 -0.31 -1.00 118.68 120.47 2qpf s LEU 55 Ca 0.27 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 53.99 2qpf s LEU 55 Cb -0.09 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 2qpf s LEU 55 CO 0.18 -0.17 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.00 2qpf s HIS 56 N 1.81 2.55 -0.58 5.38 3.76 -1.26 -2.73 115.29 124.21 2qpf s HIS 56 Ca 0.04 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 2qpf s HIS 56 Cb -0.13 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.30 2qpf s HIS 56 CO -0.07 0.59 0.00 0.41 -0.85 0.00 0.00 174.74 174.82 2qpf n GLY 57 N -0.86 0.41 0.24 -2.22 0.00 -1.26 -4.94 105.19 96.56 2qpf n GLY 57 Ca -0.05 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2qpf n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qpf h LEU 58 N 0.00 0.77 0.00 0.99 3.38 -1.87 -3.48 115.31 115.11 2qpf h LEU 58 Ca -0.14 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 2qpf h LEU 58 Cb 0.83 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2qpf h LEU 58 CO 0.18 0.86 -0.02 1.07 0.09 0.00 0.00 178.44 180.62 2qpf n THR 59 N -4.41 0.00 -4.25 0.22 5.66 -1.26 -4.74 114.28 105.50 2qpf n THR 59 Ca 0.01 -0.96 -0.14 0.00 -3.05 0.00 0.00 64.05 59.91 2qpf n THR 59 Cb 0.27 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.60 2qpf n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qpf s THR 60 N -2.61 1.10 0.24 1.09 -4.23 -1.26 -4.55 115.64 105.41 2qpf s THR 60 Ca 0.16 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 2qpf s THR 60 Cb -0.01 -1.91 0.23 0.00 1.34 0.00 0.00 72.50 72.15 2qpf s THR 60 CO 0.11 -0.69 1.68 0.44 -0.54 0.00 0.00 174.62 175.61 2qpf h ASP 61 N 2.75 -0.07 -0.17 3.99 3.32 -1.90 0.13 116.42 124.47 2qpf h ASP 61 Ca -0.37 0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.84 2qpf h ASP 61 Cb 1.19 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 2qpf h ASP 61 CO 0.64 -0.07 0.09 -0.08 -1.72 0.00 0.00 179.24 178.10 2qpf h GLU 62 N 0.22 0.19 0.00 3.56 4.57 -1.98 -2.93 114.58 118.21 2qpf h GLU 62 Ca 0.40 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.46 2qpf h GLU 62 Cb 0.68 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 2qpf h GLU 62 CO -0.53 0.12 -0.52 -0.22 -1.18 0.00 0.00 179.01 176.69 2qpf h LYS 63 N 0.19 0.00 -4.21 1.92 3.64 -1.83 -3.39 116.57 112.89 2qpf h LYS 63 Ca 0.06 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.71 2qpf h LYS 63 Cb -0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 2qpf h LYS 63 CO -0.03 0.52 1.92 0.34 -2.27 0.00 0.00 179.45 179.93 2qpf n PHE 64 N -3.46 3.88 -2.02 1.91 7.35 0.39 -4.95 117.46 120.56 2qpf n PHE 64 Ca 0.00 -3.02 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 2qpf n PHE 64 Cb 0.64 -2.16 0.15 0.00 0.35 0.00 0.00 39.48 38.46 2qpf n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qpf s VAL 65 N 1.45 2.03 0.18 -2.13 -7.23 -1.26 -4.89 120.40 108.54 2qpf s VAL 65 Ca 0.43 -0.09 -0.32 0.00 -1.81 0.00 0.00 61.98 60.19 2qpf s VAL 65 Cb 0.05 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 33.93 2qpf s VAL 65 CO 0.00 0.00 1.71 -0.70 -0.31 0.00 0.00 175.10 175.80 2qpf s GLU 66 N -5.71 4.14 0.00 4.82 2.12 -1.26 -4.80 118.70 118.02 2qpf s GLU 66 Ca 0.70 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.58 2qpf s GLU 66 Cb -0.06 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2qpf s GLU 66 CO 0.51 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2qpf n GLY 67 N 3.98 -1.39 3.41 -1.50 0.00 -1.15 -5.02 105.19 103.52 2qpf n GLY 67 Ca 0.16 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2qpf n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpf s VAL 68 N -2.60 4.16 0.05 1.61 1.01 -1.26 -1.11 120.40 122.26 2qpf s VAL 68 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2qpf s VAL 68 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2qpf s VAL 68 CO 0.00 0.25 -0.05 -0.31 0.00 0.00 0.00 175.10 174.99 2qpf s TYR 69 N 1.57 2.89 -0.18 5.22 1.51 0.30 -1.71 117.35 126.97 2qpf s TYR 69 Ca 0.05 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2qpf s TYR 69 Cb -0.16 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2qpf s TYR 69 CO 0.03 0.41 -0.18 0.50 -1.11 0.00 0.00 175.55 175.20 2qpf s ARG 70 N -1.81 2.76 -0.31 -0.62 3.52 -0.45 -1.70 118.95 120.34 2qpf s ARG 70 Ca 0.20 -0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 54.93 2qpf s ARG 70 Cb -0.11 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 2qpf s ARG 70 CO 0.12 -0.24 0.14 0.08 -0.81 0.00 0.00 175.30 174.59 2qpf s VAL 71 N 1.33 4.41 -0.18 7.11 1.01 -0.17 -0.44 120.40 133.47 2qpf s VAL 71 Ca 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2qpf s VAL 71 Cb -0.13 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2qpf s VAL 71 CO -0.12 0.03 -0.02 -0.70 0.00 0.00 0.00 175.10 174.29 2qpf s GLU 72 N 1.57 3.65 -0.23 2.72 2.12 0.25 -0.90 118.70 127.88 2qpf s GLU 72 Ca 0.04 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.77 2qpf s GLU 72 Cb -0.17 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2qpf s GLU 72 CO 0.05 0.13 0.09 -0.51 -0.54 0.00 0.00 175.26 174.48 2qpf s LEU 73 N 0.68 3.74 -1.30 2.70 1.43 0.73 -1.35 118.68 125.30 2qpf s LEU 73 Ca -0.01 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 2qpf s LEU 73 Cb -0.14 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.15 2qpf s LEU 73 CO 0.02 0.05 1.79 -0.67 0.23 0.00 0.00 176.35 177.77 2qpf n ASP 74 N 4.34 4.76 0.09 2.29 2.03 -0.14 -1.58 116.55 128.34 2qpf n ASP 74 Ca -0.16 -2.90 -0.06 0.00 0.52 0.00 0.00 54.79 52.19 2qpf n ASP 74 Cb 0.52 -1.74 0.08 0.00 -0.72 0.00 0.00 41.12 39.26 2qpf n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2qpf h THR 75 N 5.47 1.44 -0.14 5.18 1.35 -1.88 -3.03 112.91 121.30 2qpf h THR 75 Ca 0.45 -2.26 -0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2qpf h THR 75 Cb 0.85 2.20 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 2qpf h THR 75 CO 1.48 0.66 0.07 0.50 -0.25 0.00 0.00 175.52 177.99 2qpf h LYS 76 N 0.12 0.20 -0.86 4.72 3.64 -1.73 -1.47 116.57 121.20 2qpf h LYS 76 Ca -0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2qpf h LYS 76 Cb 1.26 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2qpf h LYS 76 CO 0.11 0.23 0.44 0.77 -2.27 0.00 0.00 179.45 178.73 2qpf h SER 77 N 0.12 1.10 0.22 4.20 0.02 -1.86 -1.97 113.55 115.38 2qpf h SER 77 Ca 0.05 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2qpf h SER 77 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2qpf h SER 77 CO -0.01 0.90 -0.24 0.22 -1.14 0.00 0.00 176.83 176.57 2qpf h TYR 78 N 1.21 -0.63 -0.77 3.45 3.20 -1.36 -2.31 116.97 119.75 2qpf h TYR 78 Ca 0.30 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 2qpf h TYR 78 Cb 0.07 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2qpf h TYR 78 CO 0.01 -0.35 0.45 -1.49 -1.64 0.00 0.00 178.16 175.14 2qpf h TRP 79 N -0.50 1.03 -0.55 -3.82 4.06 -1.14 -2.85 115.95 112.19 2qpf h TRP 79 Ca 0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 2qpf h TRP 79 Cb 0.47 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 2qpf h TRP 79 CO -0.17 0.70 0.27 0.87 -3.56 0.00 0.00 178.44 176.55 2qpf h LYS 80 N 1.07 0.76 -0.33 0.49 1.79 -1.11 -0.79 116.57 118.46 2qpf h LYS 80 Ca 0.28 -0.09 0.07 0.00 -2.18 0.00 0.00 60.65 58.73 2qpf h LYS 80 Cb -0.01 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2qpf h LYS 80 CO -0.05 0.59 0.23 1.79 -1.08 0.00 0.00 179.45 180.93 2qpf h THR 81 N 0.77 0.89 -0.43 -0.16 1.35 -1.17 -1.29 112.91 112.88 2qpf h THR 81 Ca 0.19 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 2qpf h THR 81 Cb 0.07 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 2qpf h THR 81 CO -0.03 0.02 0.00 0.18 -0.25 0.00 0.00 175.52 175.44 2qpf n LEU 82 N -4.46 2.36 -1.31 3.87 4.77 -0.39 -4.92 117.00 116.93 2qpf n LEU 82 Ca 0.04 -1.17 -0.11 0.00 -0.03 0.00 0.00 56.01 54.75 2qpf n LEU 82 Cb 0.32 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2qpf n LEU 82 CO 0.35 0.58 -0.11 0.61 -1.33 0.00 0.00 177.39 177.50 2qpf n GLY 83 N 1.21 -0.04 3.26 -0.72 0.00 -0.49 -5.02 105.19 103.39 2qpf n GLY 83 Ca 0.15 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2qpf n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpf s ILE 84 N -2.60 2.19 -0.47 -0.61 1.01 -0.71 -5.01 121.20 115.00 2qpf s ILE 84 Ca 0.03 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 2qpf s ILE 84 Cb -0.01 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.70 2qpf s ILE 84 CO 0.04 0.56 0.42 -0.55 0.00 0.00 0.00 174.94 175.41 2qpf s SER 85 N 0.12 6.16 0.78 3.58 0.15 -1.26 -2.73 113.70 120.50 2qpf s SER 85 Ca -0.12 -1.26 -0.04 0.00 0.70 0.00 0.00 55.95 55.23 2qpf s SER 85 Cb -0.16 -2.20 0.15 0.00 -1.71 0.00 0.00 66.02 62.10 2qpf s SER 85 CO 0.06 -0.67 1.07 -2.16 1.20 0.00 0.00 173.24 172.75 2qpf s PRO 86 N 1.76 1.43 -0.14 5.44 0.04 -1.26 -5.01 135.00 137.25 2qpf s PRO 86 Ca 0.05 -0.98 -0.22 0.00 0.04 0.00 0.00 61.00 59.89 2qpf s PRO 86 Cb -0.23 -2.22 -0.25 0.00 0.04 0.00 0.00 34.50 31.83 2qpf s PRO 86 CO 0.07 -1.68 0.54 0.35 0.04 0.00 0.00 177.00 176.32 2qpf h PHE 87 N -0.78 0.18 -3.67 0.56 3.57 -1.46 -3.48 116.94 111.85 2qpf h PHE 87 Ca -0.38 -0.13 -0.50 0.00 3.53 0.00 0.00 57.97 60.49 2qpf h PHE 87 Cb 1.26 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2qpf h PHE 87 CO -0.42 1.35 0.09 -1.01 -2.23 0.00 0.00 178.31 176.09 2qpf s HIS 88 N -2.36 3.45 0.17 0.41 3.76 -1.26 -4.97 115.29 114.49 2qpf s HIS 88 Ca -0.22 1.25 -0.06 0.00 -0.15 0.00 0.00 55.06 55.87 2qpf s HIS 88 Cb 0.02 -2.55 0.06 0.00 1.11 0.00 0.00 32.58 31.22 2qpf s HIS 88 CO 0.69 0.16 1.50 0.93 -0.85 0.00 0.00 174.74 177.17 2qpf h GLU 89 N 2.57 0.72 -2.05 1.40 4.39 -1.98 -3.37 114.58 116.26 2qpf h GLU 89 Ca -0.48 -0.42 0.24 0.00 0.34 0.00 0.00 59.36 59.04 2qpf h GLU 89 Cb 1.18 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.78 2qpf h GLU 89 CO 0.65 1.04 0.65 -0.59 -1.16 0.00 0.00 179.01 179.60 2qpf s PHE 90 N -4.17 -0.05 -0.20 4.33 -0.12 -1.26 -3.73 117.98 112.78 2qpf s PHE 90 Ca -0.09 -0.19 -0.00 0.00 -0.05 0.00 0.00 56.93 56.60 2qpf s PHE 90 Cb 0.11 0.61 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 2qpf s PHE 90 CO 0.86 -0.62 -0.15 0.00 -0.05 0.00 0.00 175.22 175.26 2qpf s ALA 91 N -2.72 2.47 0.13 1.99 0.00 -0.62 -4.90 121.76 118.12 2qpf s ALA 91 Ca 0.16 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2qpf s ALA 91 Cb 0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2qpf s ALA 91 CO 0.01 -0.46 0.25 -0.51 0.00 0.00 0.00 175.76 175.04 2qpf s ASP 92 N 1.32 6.21 -0.11 0.00 1.01 -1.26 -0.19 116.67 123.64 2qpf s ASP 92 Ca 0.04 0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.41 2qpf s ASP 92 Cb -0.14 -1.84 0.04 0.00 1.01 0.00 0.00 42.92 41.99 2qpf s ASP 92 CO -0.10 0.08 0.06 -0.69 0.21 0.00 0.00 175.17 174.72 2qpf s VAL 93 N -1.70 0.07 -0.12 -1.27 1.01 -0.08 -4.98 120.40 113.35 2qpf s VAL 93 Ca 0.34 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2qpf s VAL 93 Cb -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2qpf s VAL 93 CO 0.28 -0.00 -0.15 -0.69 0.00 0.00 0.00 175.10 174.53 2qpf s VAL 94 N 2.08 2.88 0.01 2.92 1.01 -1.26 -1.00 120.40 127.04 2qpf s VAL 94 Ca 0.03 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 2qpf s VAL 94 Cb -0.14 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.13 2qpf s VAL 94 CO -0.06 0.54 0.66 0.72 0.00 0.00 0.00 175.10 176.96 2qpf s PHE 95 N 0.23 -0.62 -0.08 5.22 -0.71 -0.69 -5.00 117.98 116.34 2qpf s PHE 95 Ca -0.10 0.86 -0.23 0.00 -1.04 0.00 0.00 56.93 56.43 2qpf s PHE 95 Cb -0.16 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2qpf s PHE 95 CO 0.06 -0.68 0.68 0.99 -1.34 0.00 0.00 175.22 174.92 2qpf s THR 96 N -2.01 5.05 0.01 -4.49 2.01 -1.26 -0.53 115.64 114.42 2qpf s THR 96 Ca -0.07 1.39 0.04 0.00 0.31 0.00 0.00 61.69 63.36 2qpf s THR 96 Cb -0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2qpf s THR 96 CO 0.03 0.24 -0.09 0.00 -0.69 0.00 0.00 174.62 174.11 2qpf s ALA 97 N 0.90 2.94 -1.48 7.40 0.00 -0.27 -4.69 121.76 126.56 2qpf s ALA 97 Ca 0.36 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2qpf s ALA 97 Cb -0.17 -1.06 0.06 0.00 0.00 0.00 0.00 23.12 21.95 2qpf s ALA 97 CO 0.17 0.61 0.88 0.09 0.00 0.00 0.00 175.76 177.51 2qpf n ASN 98 N 1.54 -5.06 0.17 0.00 3.02 -1.26 -2.95 115.26 110.73 2qpf n ASN 98 Ca -0.15 -0.62 0.02 0.00 -0.03 0.00 0.00 54.58 53.80 2qpf n ASN 98 Cb 0.52 -4.05 0.31 0.00 -0.61 0.00 0.00 39.78 35.95 2qpf n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2qpf h ASP 99 N -1.90 0.00 -1.44 6.41 2.03 -1.92 -3.35 116.42 116.25 2qpf h ASP 99 Ca -0.55 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 55.34 2qpf h ASP 99 Cb 1.36 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.49 2qpf h ASP 99 CO 0.62 0.44 -1.10 -1.54 -1.03 0.00 0.00 179.24 176.63 2qpf n SER 100 N -3.84 0.64 0.00 4.15 3.41 -1.26 -5.11 113.62 111.61 2qpf n SER 100 Ca -0.01 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 2qpf n SER 100 Cb 0.49 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2qpf n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpf n GLY 101 N 0.14 2.78 3.75 5.00 0.00 -1.26 -5.04 105.19 110.56 2qpf n GLY 101 Ca 0.17 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2qpf n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qpf s HIS 102 N -2.32 3.04 0.09 1.61 0.09 -1.26 -4.45 115.29 112.09 2qpf s HIS 102 Ca 0.00 1.09 -0.01 0.00 -0.00 0.00 0.00 55.06 56.14 2qpf s HIS 102 Cb 0.00 -3.79 -0.04 0.00 -0.00 0.00 0.00 32.58 28.75 2qpf s HIS 102 CO 0.00 -2.51 0.00 1.03 -0.00 0.00 0.00 174.74 173.26 2qpf s ARG 103 N -0.51 0.79 -0.05 1.40 1.81 -1.26 -4.81 118.95 116.31 2qpf s ARG 103 Ca 0.58 -1.34 -0.00 0.00 -1.72 0.00 0.00 55.73 53.25 2qpf s ARG 103 Cb -0.41 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.20 2qpf s ARG 103 CO 0.44 -0.16 -0.00 -1.01 -0.68 0.00 0.00 175.30 173.89 2qpf s HIS 104 N -3.92 3.11 -0.06 -0.53 3.76 -0.06 -4.92 115.29 112.69 2qpf s HIS 104 Ca 0.15 0.14 0.05 0.00 -0.15 0.00 0.00 55.06 55.25 2qpf s HIS 104 Cb 0.07 -1.74 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 2qpf s HIS 104 CO -0.04 0.46 -0.20 0.71 -0.85 0.00 0.00 174.74 174.82 2qpf s TYR 105 N -0.96 2.00 -0.18 1.40 1.51 0.71 -1.70 117.35 120.13 2qpf s TYR 105 Ca 0.16 -0.63 -0.00 0.00 -1.01 0.00 0.00 57.07 55.59 2qpf s TYR 105 Cb -0.11 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 2qpf s TYR 105 CO 0.05 -0.22 -0.14 0.99 -1.11 0.00 0.00 175.55 175.12 2qpf s THR 106 N 0.06 2.59 -0.42 -0.71 2.01 -0.22 -0.77 115.64 118.17 2qpf s THR 106 Ca -0.06 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 2qpf s THR 106 Cb -0.13 -2.12 0.03 0.00 0.01 0.00 0.00 72.50 70.29 2qpf s THR 106 CO 0.04 0.50 0.32 -0.63 -0.69 0.00 0.00 174.62 174.16 2qpf s ILE 107 N 1.19 5.25 -0.09 1.82 -1.09 0.36 -1.05 121.20 127.58 2qpf s ILE 107 Ca 0.02 -0.71 -0.06 0.00 -2.23 0.00 0.00 60.65 57.67 2qpf s ILE 107 Cb -0.14 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 2qpf s ILE 107 CO -0.06 -0.36 0.14 0.00 -1.23 0.00 0.00 174.94 173.42 2qpf s ALA 108 N 1.70 3.84 0.01 9.38 0.00 -0.26 -1.31 121.76 135.12 2qpf s ALA 108 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2qpf s ALA 108 Cb -0.20 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2qpf s ALA 108 CO 0.10 0.64 -0.05 0.00 0.00 0.00 0.00 175.76 176.45 2qpf s ALA 109 N -1.08 0.36 -0.18 0.00 0.00 0.29 -1.32 121.76 119.84 2qpf s ALA 109 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2qpf s ALA 109 Cb -0.12 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2qpf s ALA 109 CO 0.07 0.04 -0.16 -1.17 0.00 0.00 0.00 175.76 174.53 2qpf s LEU 110 N -0.52 2.07 -0.13 0.00 2.96 -0.21 -1.44 118.68 121.41 2qpf s LEU 110 Ca -0.02 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 2qpf s LEU 110 Cb -0.04 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 2qpf s LEU 110 CO -0.00 -0.05 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.19 2qpf s LEU 111 N 1.36 3.30 0.21 -0.68 1.43 -0.36 -1.78 118.68 122.16 2qpf s LEU 111 Ca 0.04 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2qpf s LEU 111 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2qpf s LEU 111 CO -0.11 0.23 -0.10 -0.44 0.23 0.00 0.00 176.35 176.16 2qpf s SER 112 N -0.01 2.39 0.26 2.29 0.01 0.70 -0.83 113.70 118.51 2qpf s SER 112 Ca 0.01 -1.08 -0.02 0.00 1.31 0.00 0.00 55.95 56.17 2qpf s SER 112 Cb -0.13 -0.10 0.49 0.00 0.21 0.00 0.00 66.02 66.49 2qpf s SER 112 CO 0.03 -0.27 1.77 -0.65 0.41 0.00 0.00 173.24 174.52 2qpf h PRO 113 N 2.53 0.62 -0.28 12.44 0.11 -1.99 -2.86 132.00 142.57 2qpf h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qpf h PRO 113 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qpf h PRO 113 CO 0.64 0.41 0.00 0.66 -0.21 0.00 0.00 178.00 179.49 2qpf n TYR 114 N -4.86 0.89 -3.57 0.65 4.02 -1.26 -1.08 117.16 111.95 2qpf n TYR 114 Ca 0.16 -0.82 -0.15 0.00 -0.01 0.00 0.00 57.90 57.08 2qpf n TYR 114 Cb 0.40 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 2qpf n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qpf s SER 115 N -1.79 -0.60 0.04 7.72 0.15 -1.08 -4.97 113.70 113.17 2qpf s SER 115 Ca 0.40 0.86 -0.13 0.00 0.70 0.00 0.00 55.95 57.78 2qpf s SER 115 Cb 0.31 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.41 2qpf s SER 115 CO 0.10 -0.41 0.28 -0.72 1.20 0.00 0.00 173.24 173.68 2qpf s TYR 116 N -0.61 -0.07 0.10 3.44 -0.85 -1.26 -0.22 117.35 117.87 2qpf s TYR 116 Ca -0.05 -0.07 0.09 0.00 -0.52 0.00 0.00 57.07 56.53 2qpf s TYR 116 Cb -0.02 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 2qpf s TYR 116 CO 0.04 -0.48 -0.23 -1.54 -1.52 0.00 0.00 175.55 171.82 2qpf s SER 117 N -2.02 2.79 0.00 -0.18 1.04 -0.74 -4.99 113.70 109.62 2qpf s SER 117 Ca -0.06 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.71 2qpf s SER 117 Cb -0.01 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2qpf s SER 117 CO -0.03 0.12 -0.05 0.28 0.98 0.00 0.00 173.24 174.54 2qpf s THR 118 N -1.07 0.40 0.02 2.02 -1.32 -1.26 -1.04 115.64 113.39 2qpf s THR 118 Ca 0.09 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.27 2qpf s THR 118 Cb -0.10 -0.36 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2qpf s THR 118 CO 0.04 0.04 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.53 2qpf s THR 119 N -0.28 0.57 -0.13 5.08 2.01 -0.44 -5.01 115.64 117.44 2qpf s THR 119 Ca 0.00 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 2qpf s THR 119 Cb -0.03 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2qpf s THR 119 CO -0.00 -0.06 -0.03 0.00 -0.69 0.00 0.00 174.62 173.84 2qpf s ALA 120 N -0.65 3.09 -0.23 7.40 0.00 -1.26 -1.11 121.76 129.00 2qpf s ALA 120 Ca -0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2qpf s ALA 120 Cb -0.06 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 2qpf s ALA 120 CO 0.00 0.34 -0.03 0.08 0.00 0.00 0.00 175.76 176.15 2qpf s VAL 121 N -0.07 3.35 -0.12 0.00 1.01 -0.21 -4.98 120.40 119.38 2qpf s VAL 121 Ca 0.02 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2qpf s VAL 121 Cb -0.13 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2qpf s VAL 121 CO 0.02 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.56 2qpf s VAL 122 N 1.46 2.17 0.12 2.92 1.01 -1.26 -1.06 120.40 125.75 2qpf s VAL 122 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2qpf s VAL 122 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2qpf s VAL 122 CO -0.03 0.55 -0.10 -0.94 0.00 0.00 0.00 175.10 174.58 2qpf s SER 123 N 0.58 1.57 0.00 3.32 1.04 -0.69 -4.99 113.70 114.54 2qpf s SER 123 Ca -0.12 -0.90 0.24 0.00 0.48 0.00 0.00 55.95 55.65 2qpf s SER 123 Cb -0.17 0.01 0.26 0.00 0.10 0.00 0.00 66.02 66.22 2qpf s SER 123 CO 0.04 -0.30 1.30 -3.20 0.98 0.00 0.00 173.24 172.05