#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpf s LEU 12 N 0.00 -0.32 0.06 1.53 2.96 -1.25 -0.35 118.68 121.31 2qpf s LEU 12 Ca 0.00 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 2qpf s LEU 12 Cb 0.00 0.63 -0.04 0.00 0.50 0.00 0.00 46.19 47.29 2qpf s LEU 12 CO 0.00 -0.35 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.53 2qpf s MET 13 N 2.40 2.26 -0.03 1.98 -1.94 -0.19 -4.42 119.30 119.36 2qpf s MET 13 Ca 0.09 -0.91 0.07 0.00 -1.71 0.00 0.00 55.69 53.23 2qpf s MET 13 Cb -0.15 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 2qpf s MET 13 CO -0.23 0.55 -0.26 0.08 -0.01 0.00 0.00 175.02 175.15 2qpf s VAL 14 N -1.08 2.05 -0.05 -6.03 1.01 -1.04 -0.68 120.40 114.58 2qpf s VAL 14 Ca 0.18 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2qpf s VAL 14 Cb -0.11 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.58 2qpf s VAL 14 CO 0.10 0.58 -0.02 -0.75 0.00 0.00 0.00 175.10 175.00 2qpf s LYS 15 N -0.44 0.66 -0.06 2.72 2.20 -0.49 -1.25 119.74 123.08 2qpf s LYS 15 Ca 0.05 0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.70 2qpf s LYS 15 Cb -0.11 -0.84 0.01 0.00 -1.51 0.00 0.00 37.83 35.37 2qpf s LYS 15 CO 0.01 -0.18 -0.14 0.08 -0.36 0.00 0.00 175.35 174.75 2qpf s VAL 16 N 1.36 1.26 0.13 4.02 1.01 0.71 -0.54 120.40 128.36 2qpf s VAL 16 Ca -0.04 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.46 2qpf s VAL 16 Cb -0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2qpf s VAL 16 CO -0.02 0.38 -0.23 -0.76 0.00 0.00 0.00 175.10 174.46 2qpf s LEU 17 N 0.42 2.47 -0.31 3.92 1.43 -0.25 -1.17 118.68 125.19 2qpf s LEU 17 Ca -0.11 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 2qpf s LEU 17 Cb -0.14 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2qpf s LEU 17 CO 0.03 0.17 0.10 -0.62 0.23 0.00 0.00 176.35 176.26 2qpf s ASP 18 N -2.18 5.24 0.10 2.29 -1.08 0.36 -1.16 116.67 120.24 2qpf s ASP 18 Ca 0.16 -0.83 0.25 0.00 -0.52 0.00 0.00 52.55 51.61 2qpf s ASP 18 Cb -0.10 -1.89 0.97 0.00 -1.46 0.00 0.00 42.92 40.44 2qpf s ASP 18 CO 0.08 -0.24 1.78 0.00 0.52 0.00 0.00 175.17 177.31 2qpf n ALA 19 N 4.87 2.11 0.04 3.66 0.00 -0.37 -1.31 120.51 129.51 2qpf n ALA 19 Ca -0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 2qpf n ALA 19 Cb 0.47 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 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 0.00 0.82 0.00 0.00 2.07 -1.95 -3.39 116.25 113.80 2qpf h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2qpf h VAL 20 Cb 0.51 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2qpf h VAL 20 CO 0.00 0.86 -1.72 0.54 0.02 0.00 0.00 177.57 177.27 2qpf n ARG 21 N -3.52 0.54 -2.66 1.57 1.74 -1.23 -5.01 116.66 108.10 2qpf n ARG 21 Ca -0.27 -0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 56.59 2qpf n ARG 21 Cb 1.06 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 31.00 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 1.29 -0.06 3.63 -0.13 0.00 -0.43 -5.04 105.19 104.46 2qpf n GLY 22 Ca -0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.55 -0.26 0.51 1.61 1.04 -1.12 -5.01 113.70 106.92 2qpf s SER 23 Ca 0.08 -0.56 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 2qpf s SER 23 Cb -0.01 0.63 -0.06 0.00 0.10 0.00 0.00 66.02 66.68 2qpf s SER 23 CO 0.39 -1.16 1.29 -2.65 0.98 0.00 0.00 173.24 172.09 2qpf n PRO 24 N -0.39 1.68 -2.93 4.02 -0.02 -1.26 -0.48 135.00 135.62 2qpf n PRO 24 Ca -0.07 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 2qpf n PRO 24 Cb 0.61 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.29 3.23 -0.02 3.55 0.00 -0.31 -4.55 121.76 122.36 2qpf s ALA 25 Ca 0.69 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 2qpf s ALA 25 Cb -0.44 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 2qpf s ALA 25 CO 0.52 -2.24 0.32 0.08 0.00 0.00 0.00 175.76 174.44 2qpf s VAL 26 N 3.55 5.19 -1.03 0.00 1.01 -1.26 -4.34 120.40 123.52 2qpf s VAL 26 Ca 0.27 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 2qpf s VAL 26 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2qpf s VAL 26 CO 0.18 0.54 0.03 -0.67 0.00 0.00 0.00 175.10 175.17 2qpf n ASP 27 N 1.69 -3.89 -4.66 3.32 4.64 -0.56 -4.96 116.55 112.13 2qpf n ASP 27 Ca -0.15 -0.02 -0.43 0.00 -1.38 0.00 0.00 54.79 52.81 2qpf n ASP 27 Cb 0.53 -3.08 -0.02 0.00 -1.04 0.00 0.00 41.12 37.51 2qpf n ASP 27 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2qpf s VAL 28 N -2.63 4.52 0.10 5.18 1.01 -1.26 -4.73 120.40 122.58 2qpf s VAL 28 Ca 0.02 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2qpf s VAL 28 Cb -0.01 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2qpf s VAL 28 CO 0.02 -0.16 1.18 0.00 0.00 0.00 0.00 175.10 176.14 2qpf s ALA 29 N 3.30 3.39 -0.10 5.51 0.00 -1.26 -1.22 121.76 131.38 2qpf s ALA 29 Ca 0.48 0.85 0.03 0.00 0.00 0.00 0.00 51.96 53.32 2qpf s ALA 29 Cb -0.18 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2qpf s ALA 29 CO 0.10 -0.38 -0.18 0.08 0.00 0.00 0.00 175.76 175.37 2qpf s VAL 30 N 0.67 1.69 -0.07 0.00 1.01 0.48 -1.05 120.40 123.14 2qpf s VAL 30 Ca 0.56 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2qpf s VAL 30 Cb -0.30 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2qpf s VAL 30 CO 0.31 0.48 -0.20 -0.54 0.00 0.00 0.00 175.10 175.15 2qpf s LYS 31 N 0.68 2.65 -0.07 2.72 1.02 -0.27 -1.59 119.74 124.88 2qpf s LYS 31 Ca -0.13 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.08 2qpf s LYS 31 Cb -0.16 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 2qpf s LYS 31 CO 0.03 0.43 -0.18 0.08 -0.92 0.00 0.00 175.35 174.79 2qpf s VAL 32 N -0.25 2.70 0.14 3.17 1.01 0.11 -0.20 120.40 127.08 2qpf s VAL 32 Ca -0.00 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.24 2qpf s VAL 32 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2qpf s VAL 32 CO 0.03 0.57 -0.21 -0.36 0.00 0.00 0.00 175.10 175.12 2qpf s PHE 33 N -0.24 1.94 -0.06 5.22 0.40 0.07 -0.51 117.98 124.81 2qpf s PHE 33 Ca 0.00 -0.42 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 2qpf s PHE 33 Cb -0.13 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 2qpf s PHE 33 CO 0.03 0.30 -0.22 0.21 0.70 0.00 0.00 175.22 176.24 2qpf s LYS 34 N -2.30 2.36 0.21 0.44 2.20 -0.46 -1.38 119.74 120.81 2qpf s LYS 34 Ca 0.12 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 2qpf s LYS 34 Cb -0.08 -1.98 -0.08 0.00 -1.51 0.00 0.00 37.83 34.17 2qpf s LYS 34 CO 0.06 0.31 1.21 0.21 -0.36 0.00 0.00 175.35 176.78 2qpf s LYS 35 N -0.03 4.48 0.66 4.03 2.20 -0.07 -1.44 119.74 129.58 2qpf s LYS 35 Ca -0.06 1.92 -0.05 0.00 -0.36 0.00 0.00 55.97 57.43 2qpf s LYS 35 Cb -0.14 -3.22 0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2qpf s LYS 35 CO 0.04 -0.09 0.95 0.95 -0.36 0.00 0.00 175.35 176.84 2qpf s THR 36 N -0.22 2.42 0.46 3.43 -4.23 0.39 -4.70 115.64 113.19 2qpf s THR 36 Ca 0.52 -0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.79 2qpf s THR 36 Cb -0.34 -3.02 0.27 0.00 1.34 0.00 0.00 72.50 70.75 2qpf s THR 36 CO 0.38 -0.02 2.10 0.28 -0.54 0.00 0.00 174.62 176.83 2qpf h SER 37 N -0.42 0.25 1.21 3.99 0.02 -1.96 -2.02 113.55 114.62 2qpf h SER 37 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2qpf h SER 37 Cb 1.31 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2qpf h SER 37 CO 0.58 0.18 0.00 -0.08 -1.14 0.00 0.00 176.83 176.38 2qpf h GLU 38 N 0.29 0.00 0.00 3.45 4.81 -2.02 -3.47 114.58 117.64 2qpf h GLU 38 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2qpf h GLU 38 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2qpf h GLU 38 CO -0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.67 2qpf n GLY 39 N 0.69 0.82 3.95 1.92 0.00 -0.76 -5.10 105.19 106.71 2qpf n GLY 39 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2qpf n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qpf s SER 40 N -2.14 6.33 -0.15 1.61 1.04 -1.26 -4.79 113.70 114.34 2qpf s SER 40 Ca 0.00 0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.46 2qpf s SER 40 Cb 0.00 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.14 2qpf s SER 40 CO 0.00 -0.13 0.80 0.26 0.98 0.00 0.00 173.24 175.14 2qpf s TRP 41 N -2.05 3.45 0.04 5.02 0.52 -1.26 -0.47 118.94 124.18 2qpf s TRP 41 Ca 0.37 1.23 0.06 0.00 0.02 0.00 0.00 56.10 57.78 2qpf s TRP 41 Cb -0.10 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.22 2qpf s TRP 41 CO 0.31 -0.18 -0.12 -1.83 0.02 0.00 0.00 176.95 175.15 2qpf s GLU 42 N 1.89 2.26 0.35 4.98 -1.05 -0.52 -4.94 118.70 121.67 2qpf s GLU 42 Ca 0.38 -0.89 -0.28 0.00 -0.15 0.00 0.00 54.97 54.02 2qpf s GLU 42 Cb -0.17 -2.33 -0.12 0.00 -0.44 0.00 0.00 34.13 31.08 2qpf s GLU 42 CO 0.14 0.56 1.37 -2.30 0.95 0.00 0.00 175.26 175.98 2qpf n PRO 43 N 1.42 2.33 0.00 -4.83 -0.02 -1.26 -1.35 135.00 131.29 2qpf n PRO 43 Ca -0.15 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2qpf n PRO 43 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.49 0.00 -3.60 6.00 7.35 0.33 -4.75 117.46 123.29 2qpf n PHE 44 Ca 0.04 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.66 2qpf n PHE 44 Cb 0.37 0.04 -0.02 0.00 0.35 0.00 0.00 39.48 40.22 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 -1.87 -1.72 0.18 3.13 0.00 -1.02 -5.00 121.76 115.47 2qpf s ALA 45 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 2qpf s ALA 45 Cb 0.00 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.74 2qpf s ALA 45 CO 0.00 -0.84 0.63 -1.54 0.00 0.00 0.00 175.76 174.01 2qpf s SER 46 N -2.69 -0.50 0.00 0.00 1.04 -1.26 0.08 113.70 110.36 2qpf s SER 46 Ca 0.08 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2qpf s SER 46 Cb -0.01 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2qpf s SER 46 CO -0.05 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2qpf n GLY 47 N -0.39 -1.04 3.02 7.32 0.00 -0.62 -4.95 105.19 108.53 2qpf n GLY 47 Ca -0.14 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.16 0.57 0.39 1.61 1.02 -1.26 -0.39 119.74 121.51 2qpf s LYS 48 Ca 0.00 -0.42 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 2qpf s LYS 48 Cb 0.00 -0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 36.72 2qpf s LYS 48 CO 0.00 0.13 1.31 0.95 -0.92 0.00 0.00 175.35 176.82 2qpf s THR 49 N -0.53 2.62 0.33 2.17 -4.23 -0.36 -4.71 115.64 110.93 2qpf s THR 49 Ca -0.01 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2qpf s THR 49 Cb -0.05 -3.34 0.08 0.00 1.34 0.00 0.00 72.50 70.52 2qpf s THR 49 CO 0.00 0.10 0.45 0.00 -0.54 0.00 0.00 174.62 174.63 2qpf n ALA 50 N 0.28 -0.50 0.29 3.99 0.00 0.44 -1.49 120.51 123.52 2qpf n ALA 50 Ca 0.03 -0.60 0.15 0.00 0.00 0.00 0.00 53.44 53.02 2qpf n ALA 50 Cb 0.43 -0.02 0.87 0.00 0.00 0.00 0.00 19.45 20.72 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 -1.94 0.22 114.58 117.25 2qpf h GLU 51 Ca -0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2qpf h GLU 51 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2qpf h GLU 51 CO 0.10 0.05 0.00 -1.13 -1.16 0.00 0.00 179.01 176.87 2qpf n SER 52 N -3.67 0.00 0.00 1.42 3.41 -1.26 -4.74 113.62 108.78 2qpf n SER 52 Ca -0.02 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2qpf n SER 52 Cb 0.15 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 0.57 0.73 3.64 5.00 0.00 0.07 -4.77 105.19 110.43 2qpf n GLY 53 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.01 2.34 -0.16 1.61 2.02 -1.26 -0.21 118.70 123.03 2qpf s GLU 54 Ca 0.00 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2qpf s GLU 54 Cb 0.00 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.87 2qpf s GLU 54 CO 0.00 0.51 -0.05 -1.17 0.02 0.00 0.00 175.26 174.57 2qpf s LEU 55 N -2.42 1.47 0.36 1.80 2.96 -0.38 -0.42 118.68 122.06 2qpf s LEU 55 Ca 0.24 -0.60 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 2qpf s LEU 55 Cb -0.11 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 2qpf s LEU 55 CO 0.17 -0.19 0.21 -1.00 -1.32 0.00 0.00 176.35 174.22 2qpf s HIS 56 N 1.68 2.73 -0.77 5.38 3.76 -1.26 -2.51 115.29 124.30 2qpf s HIS 56 Ca 0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2qpf s HIS 56 Cb -0.15 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.74 2qpf s HIS 56 CO -0.08 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 2qpf n GLY 57 N -1.27 0.45 0.31 -2.22 0.00 -1.26 -4.93 105.19 96.27 2qpf n GLY 57 Ca -0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 1.01 0.00 0.99 3.38 -1.87 -3.48 115.31 115.35 2qpf h LEU 58 Ca -0.18 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 2qpf h LEU 58 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2qpf h LEU 58 CO 0.24 0.93 0.05 1.07 0.09 0.00 0.00 178.44 180.81 2qpf n THR 59 N -4.32 0.00 -4.47 0.22 5.66 -1.26 -4.76 114.28 105.35 2qpf n THR 59 Ca 0.06 -1.01 -0.23 0.00 -3.05 0.00 0.00 64.05 59.81 2qpf n THR 59 Cb 0.20 0.76 -0.10 0.00 -1.55 0.00 0.00 70.33 69.64 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 -2.53 2.20 0.36 1.09 -4.23 -1.26 -4.57 115.64 106.69 2qpf s THR 60 Ca 0.16 -2.29 0.08 0.00 -1.18 0.00 0.00 61.69 58.47 2qpf s THR 60 Cb -0.02 -2.37 0.32 0.00 1.34 0.00 0.00 72.50 71.77 2qpf s THR 60 CO 0.12 -0.37 1.88 0.44 -0.54 0.00 0.00 174.62 176.15 2qpf h ASP 61 N 2.25 0.66 -0.08 3.99 3.32 -1.98 0.21 116.42 124.79 2qpf h ASP 61 Ca -0.40 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 2qpf h ASP 61 Cb 1.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2qpf h ASP 61 CO 0.64 0.35 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.85 2qpf h GLU 62 N 0.70 0.36 0.00 3.56 3.07 -2.03 -3.29 114.58 116.95 2qpf h GLU 62 Ca 0.43 -0.28 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 2qpf h GLU 62 Cb 0.66 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 2qpf h GLU 62 CO -0.19 0.92 -0.56 -0.22 -1.40 0.00 0.00 179.01 177.55 2qpf h LYS 63 N -0.13 0.00 -4.76 2.33 3.64 -1.88 -3.36 116.57 112.42 2qpf h LYS 63 Ca -0.02 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.66 2qpf h LYS 63 Cb 0.97 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.74 2qpf h LYS 63 CO 0.07 0.56 2.75 0.34 -2.27 0.00 0.00 179.45 180.91 2qpf n PHE 64 N -3.83 3.99 -1.85 1.91 7.35 0.69 -4.93 117.46 120.80 2qpf n PHE 64 Ca -0.01 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 2qpf n PHE 64 Cb 0.58 -2.59 0.10 0.00 0.35 0.00 0.00 39.48 37.91 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 3.64 2.01 0.25 -2.13 -7.23 -1.26 -4.91 120.40 110.77 2qpf s VAL 65 Ca 0.50 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.36 2qpf s VAL 65 Cb 0.10 -2.97 -0.12 0.00 0.56 0.00 0.00 36.38 33.95 2qpf s VAL 65 CO -0.02 -0.00 1.57 1.21 -0.31 0.00 0.00 175.10 177.54 2qpf n GLU 66 N -3.38 2.49 -3.56 4.82 2.13 -1.26 -4.80 120.64 117.08 2qpf n GLU 66 Ca 0.08 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2qpf n GLU 66 Cb 0.61 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.67 2qpf n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qpf n GLY 67 N 2.60 -1.88 3.57 8.31 0.00 -1.09 -5.02 105.19 111.68 2qpf n GLY 67 Ca 0.11 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.30 4.74 0.12 1.61 1.01 -1.26 -1.55 120.40 122.76 2qpf s VAL 68 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.03 2qpf s VAL 68 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2qpf s VAL 68 CO 0.00 0.38 -0.17 -0.31 0.00 0.00 0.00 175.10 175.00 2qpf s TYR 69 N 1.02 2.55 -0.19 5.22 1.51 0.59 -0.89 117.35 127.16 2qpf s TYR 69 Ca 0.05 -0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2qpf s TYR 69 Cb -0.14 -1.35 0.05 0.00 -0.11 0.00 0.00 41.96 40.41 2qpf s TYR 69 CO 0.03 0.39 -0.06 0.50 -1.11 0.00 0.00 175.55 175.31 2qpf s ARG 70 N -2.16 1.52 -0.32 -0.62 3.52 -0.48 -1.26 118.95 119.15 2qpf s ARG 70 Ca 0.18 -0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 55.03 2qpf s ARG 70 Cb -0.11 -2.18 -0.00 0.00 -1.56 0.00 0.00 34.95 31.10 2qpf s ARG 70 CO 0.10 -0.47 0.17 0.08 -0.81 0.00 0.00 175.30 174.37 2qpf s VAL 71 N 1.57 4.65 -0.27 7.11 1.01 0.60 -0.75 120.40 134.33 2qpf s VAL 71 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2qpf s VAL 71 Cb -0.16 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 2qpf s VAL 71 CO -0.08 0.03 0.04 -0.70 0.00 0.00 0.00 175.10 174.39 2qpf s GLU 72 N 1.61 3.27 -0.16 2.72 2.12 0.72 -0.60 118.70 128.39 2qpf s GLU 72 Ca 0.04 -0.73 -0.17 0.00 0.36 0.00 0.00 54.97 54.48 2qpf s GLU 72 Cb -0.17 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2qpf s GLU 72 CO 0.07 -0.33 0.44 -0.51 -0.54 0.00 0.00 175.26 174.38 2qpf s LEU 73 N 1.51 4.22 -1.36 2.70 1.43 -0.37 -1.11 118.68 125.70 2qpf s LEU 73 Ca 0.04 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 2qpf s LEU 73 Cb -0.16 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.52 2qpf s LEU 73 CO 0.01 -0.04 1.93 -0.67 0.23 0.00 0.00 176.35 177.81 2qpf n ASP 74 N 4.07 4.53 0.14 2.29 2.03 -0.21 -1.55 116.55 127.85 2qpf n ASP 74 Ca -0.08 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.34 2qpf n ASP 74 Cb 0.51 -1.70 0.29 0.00 -0.72 0.00 0.00 41.12 39.51 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 4.84 1.30 -0.20 5.18 1.35 -1.88 -2.87 112.91 120.63 2qpf h THR 75 Ca 0.49 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2qpf h THR 75 Cb 0.77 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2qpf h THR 75 CO 1.63 0.42 0.04 0.50 -0.25 0.00 0.00 175.52 177.86 2qpf h LYS 76 N 0.09 0.33 -0.74 4.72 3.64 -1.74 -2.02 116.57 120.84 2qpf h LYS 76 Ca 0.01 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2qpf h LYS 76 Cb 0.75 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 2qpf h LYS 76 CO 0.06 0.47 0.30 0.77 -2.27 0.00 0.00 179.45 178.77 2qpf h SER 77 N 0.14 1.01 -0.16 4.20 0.02 -1.87 -1.69 113.55 115.20 2qpf h SER 77 Ca 0.06 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2qpf h SER 77 Cb 0.29 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2qpf h SER 77 CO 0.00 0.89 -0.07 0.22 -1.14 0.00 0.00 176.83 176.74 2qpf h TYR 78 N 1.08 -0.16 -0.27 3.45 3.20 -1.26 -1.58 116.97 121.44 2qpf h TYR 78 Ca 0.25 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 2qpf h TYR 78 Cb 0.20 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2qpf h TYR 78 CO 0.02 -0.11 -0.52 -1.49 -1.64 0.00 0.00 178.16 174.41 2qpf h TRP 79 N -0.05 1.04 -0.52 -3.82 4.06 -1.26 -3.12 115.95 112.28 2qpf h TRP 79 Ca 0.09 -0.38 -0.01 0.00 2.06 0.00 0.00 58.89 60.64 2qpf h TRP 79 Cb 0.18 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 2qpf h TRP 79 CO -0.21 1.19 0.27 0.87 -3.56 0.00 0.00 178.44 177.00 2qpf h LYS 80 N 0.59 0.72 -0.37 0.49 1.57 -0.94 -0.54 116.57 118.10 2qpf h LYS 80 Ca 0.01 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2qpf h LYS 80 Cb 1.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2qpf h LYS 80 CO 0.12 0.55 0.13 1.15 -0.57 0.00 0.00 179.45 180.83 2qpf h THR 81 N 0.73 1.15 -0.31 -0.16 2.02 -1.23 -2.16 112.91 112.95 2qpf h THR 81 Ca 0.18 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2qpf h THR 81 Cb 0.05 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2qpf h THR 81 CO -0.03 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.22 2qpf n LEU 82 N -4.38 1.98 -0.49 2.58 4.77 -0.39 -4.91 117.00 116.15 2qpf n LEU 82 Ca 0.02 -0.99 -0.05 0.00 -0.03 0.00 0.00 56.01 54.96 2qpf n LEU 82 Cb 0.15 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2qpf n LEU 82 CO 0.37 0.43 -0.06 0.61 -1.33 0.00 0.00 177.39 177.41 2qpf n GLY 83 N 0.87 0.38 3.17 -0.72 0.00 -0.81 -5.03 105.19 103.04 2qpf n GLY 83 Ca 0.11 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.22 1.76 -0.44 -0.61 1.01 -0.35 -5.00 121.20 115.35 2qpf s ILE 84 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.58 2qpf s ILE 84 Cb 0.00 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.97 2qpf s ILE 84 CO 0.00 0.49 0.66 -0.55 0.00 0.00 0.00 174.94 175.54 2qpf s SER 85 N 0.31 6.33 0.53 3.58 0.15 -1.26 -2.40 113.70 120.94 2qpf s SER 85 Ca -0.14 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2qpf s SER 85 Cb -0.16 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 2qpf s SER 85 CO 0.06 -0.79 0.77 -2.16 1.20 0.00 0.00 173.24 172.32 2qpf s PRO 86 N 2.87 2.69 -0.12 5.44 0.04 -1.26 -4.98 135.00 139.67 2qpf s PRO 86 Ca 0.23 -0.62 -0.27 0.00 0.04 0.00 0.00 61.00 60.39 2qpf s PRO 86 Cb -0.14 -2.47 -0.27 0.00 0.04 0.00 0.00 34.50 31.66 2qpf s PRO 86 CO 0.19 -0.62 0.77 0.35 0.04 0.00 0.00 177.00 177.74 2qpf h PHE 87 N 0.10 0.14 -3.76 0.56 3.57 -1.61 -3.48 116.94 112.47 2qpf h PHE 87 Ca -0.44 -0.10 -0.49 0.00 3.53 0.00 0.00 57.97 60.48 2qpf h PHE 87 Cb 1.28 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2qpf h PHE 87 CO 0.40 1.10 0.17 -1.01 -2.23 0.00 0.00 178.31 176.74 2qpf s HIS 88 N -2.28 3.47 0.24 0.41 3.76 -1.26 -4.97 115.29 114.66 2qpf s HIS 88 Ca -0.18 1.39 -0.01 0.00 -0.15 0.00 0.00 55.06 56.11 2qpf s HIS 88 Cb -0.02 -2.65 0.28 0.00 1.11 0.00 0.00 32.58 31.30 2qpf s HIS 88 CO 0.72 0.14 1.66 0.93 -0.85 0.00 0.00 174.74 177.34 2qpf h GLU 89 N 2.62 0.62 0.00 1.40 4.39 -1.98 -3.37 114.58 118.26 2qpf h GLU 89 Ca -0.48 -0.25 0.17 0.00 0.34 0.00 0.00 59.36 59.14 2qpf h GLU 89 Cb 1.18 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 2qpf h GLU 89 CO 0.65 0.82 0.60 1.97 -1.16 0.00 0.00 179.01 181.89 2qpf n PHE 90 N -4.10 -1.24 -3.94 4.33 1.16 -1.26 -3.94 117.46 108.45 2qpf n PHE 90 Ca -0.00 -1.18 -0.30 0.00 -1.87 0.00 0.00 57.45 54.10 2qpf n PHE 90 Cb 0.43 0.57 -0.16 0.00 -1.61 0.00 0.00 39.48 38.72 2qpf n PHE 90 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2qpf s ALA 91 N -2.00 1.94 -0.04 1.98 0.00 -0.60 -4.87 121.76 118.18 2qpf s ALA 91 Ca 0.23 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 2qpf s ALA 91 Cb -0.03 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 2qpf s ALA 91 CO 0.05 -1.12 0.34 -0.51 0.00 0.00 0.00 175.76 174.52 2qpf s ASP 92 N 1.41 6.69 -0.20 0.00 1.11 -1.26 -1.24 116.67 123.18 2qpf s ASP 92 Ca -0.05 0.82 0.01 0.00 0.18 0.00 0.00 52.55 53.51 2qpf s ASP 92 Cb -0.18 -2.21 0.04 0.00 1.07 0.00 0.00 42.92 41.64 2qpf s ASP 92 CO -0.07 0.32 -0.10 -0.69 1.18 0.00 0.00 175.17 175.81 2qpf s VAL 93 N -0.91 1.66 -0.11 -1.27 1.01 0.23 -4.97 120.40 116.04 2qpf s VAL 93 Ca 0.21 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2qpf s VAL 93 Cb -0.15 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 2qpf s VAL 93 CO 0.11 0.17 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 2qpf s VAL 94 N 1.39 2.24 0.04 2.92 1.01 -1.26 -0.29 120.40 126.45 2qpf s VAL 94 Ca -0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2qpf s VAL 94 Cb -0.16 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.41 2qpf s VAL 94 CO -0.08 0.55 0.67 0.72 0.00 0.00 0.00 175.10 176.96 2qpf s PHE 95 N 0.42 -0.57 -0.01 5.22 -0.71 -0.39 -4.99 117.98 116.95 2qpf s PHE 95 Ca -0.16 0.70 -0.24 0.00 -1.04 0.00 0.00 56.93 56.19 2qpf s PHE 95 Cb -0.17 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 2qpf s PHE 95 CO 0.07 -0.70 0.72 0.99 -1.34 0.00 0.00 175.22 174.96 2qpf s THR 96 N -2.44 4.90 0.02 -4.49 2.01 -1.26 -0.30 115.64 114.08 2qpf s THR 96 Ca -0.04 1.51 0.08 0.00 0.31 0.00 0.00 61.69 63.55 2qpf s THR 96 Cb -0.01 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2qpf s THR 96 CO -0.02 0.31 -0.24 0.00 -0.69 0.00 0.00 174.62 173.99 2qpf s ALA 97 N 0.34 2.00 -1.76 7.40 0.00 -0.60 -4.80 121.76 124.35 2qpf s ALA 97 Ca 0.38 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2qpf s ALA 97 Cb -0.19 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2qpf s ALA 97 CO 0.20 0.47 0.00 0.09 0.00 0.00 0.00 175.76 176.53 2qpf n ASN 98 N 2.07 -5.74 0.04 0.00 3.02 -1.26 -2.66 115.26 110.73 2qpf n ASN 98 Ca -0.16 0.02 -0.06 0.00 -0.03 0.00 0.00 54.58 54.35 2qpf n ASN 98 Cb 0.52 -4.78 -0.10 0.00 -0.61 0.00 0.00 39.78 34.81 2qpf n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2qpf h ASP 99 N 0.00 0.00 -2.68 6.41 3.58 -1.92 -3.41 116.42 118.41 2qpf h ASP 99 Ca -0.48 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.37 2qpf h ASP 99 Cb 1.35 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 42.00 2qpf h ASP 99 CO 0.57 0.89 -0.76 -0.24 -2.88 0.00 0.00 179.24 176.83 2qpf n SER 100 N -3.20 1.63 0.00 2.28 2.88 -1.26 -5.07 113.62 110.88 2qpf n SER 100 Ca -0.06 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 2qpf n SER 100 Cb 0.94 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2qpf n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qpf n GLY 101 N 2.15 -2.12 3.67 0.46 0.00 -1.26 -4.92 105.19 103.17 2qpf n GLY 101 Ca 0.25 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2qpf n GLY 101 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qpf s HIS 102 N -2.93 3.40 0.19 1.61 2.46 -1.26 -4.42 115.29 114.34 2qpf s HIS 102 Ca 0.00 0.88 0.06 0.00 0.47 0.00 0.00 55.06 56.46 2qpf s HIS 102 Cb 0.00 -2.72 -0.05 0.00 -0.13 0.00 0.00 32.58 29.68 2qpf s HIS 102 CO 0.00 -0.10 -0.10 1.03 -2.47 0.00 0.00 174.74 173.10 2qpf s ARG 103 N 1.61 1.25 -0.15 2.88 1.81 -1.26 -5.08 118.95 120.02 2qpf s ARG 103 Ca 0.27 -1.57 -0.07 0.00 -1.72 0.00 0.00 55.73 52.64 2qpf s ARG 103 Cb -0.16 -0.88 -0.04 0.00 -0.45 0.00 0.00 34.95 33.43 2qpf s ARG 103 CO 0.10 0.09 0.08 -1.01 -0.68 0.00 0.00 175.30 173.89 2qpf s HIS 104 N -3.16 3.36 -0.03 -0.53 3.76 -1.26 -4.87 115.29 112.55 2qpf s HIS 104 Ca 0.22 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.45 2qpf s HIS 104 Cb 0.02 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 2qpf s HIS 104 CO 0.05 0.40 -0.20 0.71 -0.85 0.00 0.00 174.74 174.85 2qpf s TYR 105 N -0.25 2.53 -0.14 1.40 1.51 0.53 -1.44 117.35 121.47 2qpf s TYR 105 Ca 0.09 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2qpf s TYR 105 Cb -0.12 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 2qpf s TYR 105 CO 0.01 0.09 -0.20 0.99 -1.11 0.00 0.00 175.55 175.33 2qpf s THR 106 N -0.69 1.97 -0.40 -0.71 2.01 0.64 -1.02 115.64 117.44 2qpf s THR 106 Ca 0.11 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 2qpf s THR 106 Cb -0.10 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2qpf s THR 106 CO 0.00 0.53 0.27 -0.63 -0.69 0.00 0.00 174.62 174.10 2qpf s ILE 107 N 0.97 5.11 0.05 1.82 -1.09 0.15 -0.82 121.20 127.38 2qpf s ILE 107 Ca -0.04 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2qpf s ILE 107 Cb -0.15 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2qpf s ILE 107 CO -0.05 -0.26 0.18 0.00 -1.23 0.00 0.00 174.94 173.58 2qpf s ALA 108 N 1.66 3.92 -0.04 9.38 0.00 0.09 -1.39 121.76 135.38 2qpf s ALA 108 Ca 0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2qpf s ALA 108 Cb -0.19 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2qpf s ALA 108 CO 0.09 0.80 0.10 0.00 0.00 0.00 0.00 175.76 176.76 2qpf s ALA 109 N -1.46 -0.25 -0.15 0.00 0.00 0.30 -1.64 121.76 118.57 2qpf s ALA 109 Ca 0.33 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2qpf s ALA 109 Cb -0.13 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2qpf s ALA 109 CO 0.25 -0.06 -0.14 -1.17 0.00 0.00 0.00 175.76 174.64 2qpf s LEU 110 N -0.07 1.71 -0.13 0.00 2.96 0.30 -1.09 118.68 122.36 2qpf s LEU 110 Ca -0.01 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2qpf s LEU 110 Cb -0.01 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 2qpf s LEU 110 CO 0.00 -0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.15 2qpf s LEU 111 N 1.48 3.11 0.21 -0.68 1.43 -0.31 -1.51 118.68 122.41 2qpf s LEU 111 Ca 0.05 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2qpf s LEU 111 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2qpf s LEU 111 CO -0.11 0.22 -0.09 -0.44 0.23 0.00 0.00 176.35 176.16 2qpf s SER 112 N 0.05 2.30 0.30 2.29 0.01 0.44 -1.24 113.70 117.86 2qpf s SER 112 Ca -0.01 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.19 2qpf s SER 112 Cb -0.14 -0.09 0.65 0.00 0.21 0.00 0.00 66.02 66.66 2qpf s SER 112 CO 0.03 -0.31 1.82 -0.65 0.41 0.00 0.00 173.24 174.54 2qpf h PRO 113 N 2.52 0.86 -0.20 12.44 0.11 -1.99 -2.94 132.00 142.80 2qpf h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qpf h PRO 113 Cb 1.22 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2qpf h PRO 113 CO 0.64 0.57 0.00 0.66 -0.21 0.00 0.00 178.00 179.66 2qpf n TYR 114 N -4.65 0.54 -3.61 0.65 4.02 -1.26 -1.43 117.16 111.42 2qpf n TYR 114 Ca 0.20 -0.76 -0.15 0.00 -0.01 0.00 0.00 57.90 57.18 2qpf n TYR 114 Cb 0.44 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.76 -0.61 0.06 7.72 0.15 -1.11 -4.96 113.70 113.19 2qpf s SER 115 Ca 0.31 0.93 -0.08 0.00 0.70 0.00 0.00 55.95 57.80 2qpf s SER 115 Cb 0.23 0.89 -0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2qpf s SER 115 CO 0.09 -0.40 0.18 -0.72 1.20 0.00 0.00 173.24 173.58 2qpf s TYR 116 N -0.46 0.13 0.03 3.44 -0.85 -1.26 -0.42 117.35 117.96 2qpf s TYR 116 Ca -0.06 -0.47 0.08 0.00 -0.52 0.00 0.00 57.07 56.09 2qpf s TYR 116 Cb -0.03 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 2qpf s TYR 116 CO 0.05 -0.48 -0.22 0.45 -1.52 0.00 0.00 175.55 173.83 2qpf s SER 117 N -2.50 2.65 0.01 -0.18 0.15 -0.57 -4.97 113.70 108.29 2qpf s SER 117 Ca 0.00 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.17 2qpf s SER 117 Cb 0.02 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 2qpf s SER 117 CO -0.08 0.21 -0.06 0.28 1.20 0.00 0.00 173.24 174.80 2qpf s THR 118 N -0.71 0.45 0.04 6.45 -1.32 -1.26 -0.54 115.64 118.74 2qpf s THR 118 Ca 0.09 -0.42 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 2qpf s THR 118 Cb -0.09 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.47 2qpf s THR 118 CO 0.01 0.01 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.42 2qpf s THR 119 N -0.41 0.90 -0.19 5.08 2.01 -0.65 -4.99 115.64 117.39 2qpf s THR 119 Ca -0.01 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 2qpf s THR 119 Cb -0.04 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2qpf s THR 119 CO -0.00 -0.14 0.05 0.00 -0.69 0.00 0.00 174.62 173.84 2qpf s ALA 120 N -1.02 3.30 -0.24 7.40 0.00 -1.26 -0.73 121.76 129.21 2qpf s ALA 120 Ca -0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 2qpf s ALA 120 Cb -0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 2qpf s ALA 120 CO 0.01 0.09 0.07 0.08 0.00 0.00 0.00 175.76 176.02 2qpf s VAL 121 N 0.54 4.43 -0.14 0.00 1.01 -0.00 -4.98 120.40 121.26 2qpf s VAL 121 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2qpf s VAL 121 Cb -0.13 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2qpf s VAL 121 CO 0.01 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 174.60 2qpf s VAL 122 N 1.42 1.78 0.00 2.92 1.01 -1.26 -0.26 120.40 126.01 2qpf s VAL 122 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2qpf s VAL 122 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2qpf s VAL 122 CO 0.04 0.50 0.29 -1.54 0.00 0.00 0.00 175.10 174.38