#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpf s LYS 9 N 0.00 3.06 0.00 4.33 1.02 -1.26 -5.15 119.74 121.74 2qpf s LYS 9 Ca 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.75 2qpf s LYS 9 Cb 0.00 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 2qpf s LYS 9 CO 0.00 -1.37 0.00 -0.35 -0.92 0.00 0.00 175.35 172.71 2qpf n PRO 11 N 6.06 0.00 -3.47 -1.68 -0.04 -1.26 -4.65 135.00 129.96 2qpf n PRO 11 Ca -0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.18 2qpf n PRO 11 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.00 -0.12 0.17 1.53 2.96 -1.25 -0.36 118.68 121.62 2qpf s LEU 12 Ca 0.00 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.62 2qpf s LEU 12 Cb 0.00 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.05 2qpf s LEU 12 CO 0.00 -0.35 -0.22 0.00 -1.32 0.00 0.00 176.35 174.46 2qpf s MET 13 N 2.33 1.40 -0.05 1.98 0.00 -0.33 -4.35 119.30 120.28 2qpf s MET 13 Ca 0.08 -1.44 0.05 0.00 0.00 0.00 0.00 55.69 54.37 2qpf s MET 13 Cb -0.15 -1.66 -0.00 0.00 0.00 0.00 0.00 34.83 33.01 2qpf s MET 13 CO -0.19 0.36 -0.19 0.08 0.00 0.00 0.00 175.02 175.08 2qpf s VAL 14 N -1.68 1.61 -0.05 5.16 1.01 -0.97 -0.86 120.40 124.62 2qpf s VAL 14 Ca 0.17 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2qpf s VAL 14 Cb -0.08 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2qpf s VAL 14 CO 0.08 0.46 -0.10 -0.54 0.00 0.00 0.00 175.10 174.99 2qpf s LYS 15 N -0.00 1.35 -0.03 2.72 1.02 -0.54 -0.17 119.74 124.10 2qpf s LYS 15 Ca -0.04 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2qpf s LYS 15 Cb -0.12 -1.18 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 2qpf s LYS 15 CO 0.03 0.05 -0.04 0.08 -0.92 0.00 0.00 175.35 174.55 2qpf s VAL 16 N 0.52 0.44 0.17 3.17 1.01 0.52 -0.69 120.40 125.54 2qpf s VAL 16 Ca -0.10 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 61.86 2qpf s VAL 16 Cb -0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2qpf s VAL 16 CO 0.02 0.18 -0.25 -0.76 0.00 0.00 0.00 175.10 174.29 2qpf s LEU 17 N 0.56 2.39 -0.28 3.92 1.43 -0.09 -1.45 118.68 125.16 2qpf s LEU 17 Ca -0.07 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.14 2qpf s LEU 17 Cb -0.10 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 2qpf s LEU 17 CO -0.00 0.14 0.08 -0.62 0.23 0.00 0.00 176.35 176.18 2qpf s ASP 18 N -2.43 5.16 0.13 2.29 -1.08 0.12 -0.86 116.67 120.00 2qpf s ASP 18 Ca 0.18 -0.51 0.27 0.00 -0.52 0.00 0.00 52.55 51.97 2qpf s ASP 18 Cb -0.09 -1.91 0.87 0.00 -1.46 0.00 0.00 42.92 40.33 2qpf s ASP 18 CO 0.08 -0.14 1.75 0.00 0.52 0.00 0.00 175.17 177.39 2qpf n ALA 19 N 4.90 2.42 0.04 3.66 0.00 -0.20 -1.76 120.51 129.58 2qpf n ALA 19 Ca -0.15 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2qpf n ALA 19 Cb 0.49 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 1.13 0.00 0.00 2.07 -1.94 -3.39 116.25 114.12 2qpf h VAL 20 Ca 0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2qpf h VAL 20 Cb 0.66 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2qpf h VAL 20 CO 0.00 0.75 -1.29 0.54 0.02 0.00 0.00 177.57 177.59 2qpf n ARG 21 N -3.87 0.47 -2.92 1.57 1.74 -1.24 -5.00 116.66 107.41 2qpf n ARG 21 Ca -0.22 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.72 2qpf n ARG 21 Cb 0.94 -1.64 0.06 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.20 3.64 -0.13 0.00 -0.72 -5.04 105.19 104.03 2qpf n GLY 22 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.78 -0.19 0.67 1.61 1.04 -1.16 -5.03 113.70 106.86 2qpf s SER 23 Ca 0.07 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.63 2qpf s SER 23 Cb -0.01 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2qpf s SER 23 CO 0.50 -1.17 1.29 -2.84 0.98 0.00 0.00 173.24 172.00 2qpf s PRO 24 N -3.94 2.40 -0.54 4.02 0.02 -1.26 -0.70 135.00 134.99 2qpf s PRO 24 Ca 0.15 2.04 -0.22 0.00 0.02 0.00 0.00 61.00 62.99 2qpf s PRO 24 Cb -0.02 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.72 2qpf s PRO 24 CO 0.04 -1.71 0.82 0.00 -0.33 0.00 0.00 177.00 175.82 2qpf s ALA 25 N -1.49 3.25 0.13 -1.55 0.00 -0.53 -4.52 121.76 117.06 2qpf s ALA 25 Ca 0.82 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2qpf s ALA 25 Cb -0.37 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.10 2qpf s ALA 25 CO 0.42 -2.27 0.46 0.08 0.00 0.00 0.00 175.76 174.45 2qpf s VAL 26 N 3.43 5.01 -1.51 0.00 1.01 -1.26 -4.29 120.40 122.79 2qpf s VAL 26 Ca 0.23 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 2qpf s VAL 26 Cb -0.16 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2qpf s VAL 26 CO 0.15 0.18 0.65 0.47 0.00 0.00 0.00 175.10 176.55 2qpf n ASP 27 N 0.58 -5.82 -4.68 3.32 8.00 -0.38 -4.94 116.55 112.63 2qpf n ASP 27 Ca -0.05 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 2qpf n ASP 27 Cb 0.52 -4.70 -0.03 0.00 -0.02 0.00 0.00 41.12 36.89 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 -3.16 4.77 0.07 2.53 1.01 -1.26 -4.79 120.40 119.57 2qpf s VAL 28 Ca 0.35 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 2qpf s VAL 28 Cb -0.16 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 2qpf s VAL 28 CO 0.43 -0.04 1.10 0.00 0.00 0.00 0.00 175.10 176.59 2qpf s ALA 29 N 2.36 3.31 -0.10 5.51 0.00 -1.26 -1.59 121.76 129.99 2qpf s ALA 29 Ca 0.45 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.17 2qpf s ALA 29 Cb -0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2qpf s ALA 29 CO 0.14 -0.31 -0.17 0.08 0.00 0.00 0.00 175.76 175.50 2qpf s VAL 30 N 0.75 1.57 -0.09 0.00 1.01 0.48 -0.99 120.40 123.14 2qpf s VAL 30 Ca 0.54 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2qpf s VAL 30 Cb -0.26 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2qpf s VAL 30 CO 0.30 0.45 -0.19 -0.54 0.00 0.00 0.00 175.10 175.12 2qpf s LYS 31 N 0.78 2.93 -0.09 2.72 1.02 -0.42 -1.40 119.74 125.28 2qpf s LYS 31 Ca -0.11 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.12 2qpf s LYS 31 Cb -0.16 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2qpf s LYS 31 CO 0.02 0.32 -0.17 0.08 -0.92 0.00 0.00 175.35 174.68 2qpf s VAL 32 N 0.02 2.73 0.16 3.17 1.01 0.19 -0.34 120.40 127.34 2qpf s VAL 32 Ca -0.07 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.18 2qpf s VAL 32 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2qpf s VAL 32 CO 0.05 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.18 2qpf s PHE 33 N -0.10 1.72 -0.07 5.22 0.40 0.62 -0.19 117.98 125.58 2qpf s PHE 33 Ca -0.03 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 2qpf s PHE 33 Cb -0.14 -0.86 -0.00 0.00 0.51 0.00 0.00 43.02 42.52 2qpf s PHE 33 CO 0.04 0.29 -0.22 0.21 0.70 0.00 0.00 175.22 176.24 2qpf s LYS 34 N -2.84 2.45 0.09 0.44 2.20 -0.48 -1.22 119.74 120.38 2qpf s LYS 34 Ca 0.15 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.65 2qpf s LYS 34 Cb -0.05 -2.01 -0.07 0.00 -1.51 0.00 0.00 37.83 34.19 2qpf s LYS 34 CO 0.06 0.27 1.32 0.21 -0.36 0.00 0.00 175.35 176.85 2qpf s LYS 35 N 0.08 4.36 0.72 4.03 2.20 0.07 -1.89 119.74 129.31 2qpf s LYS 35 Ca -0.09 1.96 -0.06 0.00 -0.36 0.00 0.00 55.97 57.42 2qpf s LYS 35 Cb -0.15 -3.30 0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2qpf s LYS 35 CO 0.05 -0.38 1.03 0.95 -0.36 0.00 0.00 175.35 176.63 2qpf s THR 36 N 1.15 2.26 0.20 3.43 -4.23 0.24 -4.68 115.64 114.00 2qpf s THR 36 Ca 0.62 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 2qpf s THR 36 Cb -0.34 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.69 2qpf s THR 36 CO 0.30 0.00 1.81 0.28 -0.54 0.00 0.00 174.62 176.47 2qpf h SER 37 N -0.65 0.54 0.73 3.99 0.02 -1.96 -2.32 113.55 113.91 2qpf h SER 37 Ca -0.43 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2qpf h SER 37 Cb 1.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2qpf h SER 37 CO 0.54 0.37 0.00 1.05 -1.14 0.00 0.00 176.83 177.64 2qpf h GLU 38 N 0.68 0.00 0.00 3.45 4.11 -2.03 -3.46 114.58 117.32 2qpf h GLU 38 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 2qpf h GLU 38 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qpf h GLU 38 CO -0.15 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.34 2qpf n GLY 39 N -0.27 1.59 3.68 1.06 0.00 -0.87 -5.12 105.19 105.26 2qpf n GLY 39 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 4.37 -0.28 1.61 1.04 -1.26 -4.87 113.70 112.32 2qpf s SER 40 Ca 0.00 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.35 2qpf s SER 40 Cb 0.00 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 2qpf s SER 40 CO 0.00 -0.29 0.39 0.26 0.98 0.00 0.00 173.24 174.58 2qpf s TRP 41 N -2.50 3.24 0.02 5.02 0.52 -1.26 -0.59 118.94 123.39 2qpf s TRP 41 Ca 0.36 0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.87 2qpf s TRP 41 Cb -0.00 -2.61 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 2qpf s TRP 41 CO 0.21 -0.27 0.01 -1.83 0.02 0.00 0.00 176.95 175.09 2qpf s GLU 42 N 2.10 2.77 0.30 4.98 -1.05 -0.79 -4.93 118.70 122.08 2qpf s GLU 42 Ca 0.15 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 54.03 2qpf s GLU 42 Cb -0.16 -2.66 -0.12 0.00 -0.44 0.00 0.00 34.13 30.75 2qpf s GLU 42 CO 0.10 0.61 1.57 -2.30 0.95 0.00 0.00 175.26 176.19 2qpf n PRO 43 N 1.19 2.64 -0.02 -4.83 -0.02 -1.26 -1.38 135.00 131.32 2qpf n PRO 43 Ca -0.13 0.94 -0.04 0.00 -2.02 0.00 0.00 63.50 62.24 2qpf n PRO 43 Cb 0.52 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.96 0.00 -3.51 6.00 7.35 0.73 -4.77 117.46 125.22 2qpf n PHE 44 Ca 0.08 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.68 2qpf n PHE 44 Cb 0.36 -0.16 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 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 -2.08 -1.70 0.04 3.13 0.00 -0.82 -5.00 121.76 115.33 2qpf s ALA 45 Ca -0.06 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 2qpf s ALA 45 Cb 0.02 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2qpf s ALA 45 CO 0.08 -0.77 0.43 -1.54 0.00 0.00 0.00 175.76 173.97 2qpf s SER 46 N -2.64 -0.31 0.03 0.00 1.04 -1.26 0.57 113.70 111.13 2qpf s SER 46 Ca 0.04 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 2qpf s SER 46 Cb -0.01 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.58 2qpf s SER 46 CO -0.09 -0.66 0.52 0.61 0.98 0.00 0.00 173.24 174.61 2qpf n GLY 47 N 0.55 0.71 3.18 7.32 0.00 -0.50 -4.98 105.19 111.47 2qpf n GLY 47 Ca -0.19 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.01 0.83 0.33 1.61 1.02 -1.26 -0.39 119.74 119.87 2qpf s LYS 48 Ca 0.12 -0.96 -0.28 0.00 0.02 0.00 0.00 55.97 54.87 2qpf s LYS 48 Cb -0.01 -0.86 -0.10 0.00 -0.52 0.00 0.00 37.83 36.35 2qpf s LYS 48 CO 0.01 0.19 1.19 0.95 -0.92 0.00 0.00 175.35 176.78 2qpf s THR 49 N -1.26 3.11 0.54 2.17 -4.23 -0.62 -4.72 115.64 110.64 2qpf s THR 49 Ca -0.02 1.07 -0.09 0.00 -1.18 0.00 0.00 61.69 61.48 2qpf s THR 49 Cb -0.10 -3.66 0.12 0.00 1.34 0.00 0.00 72.50 70.20 2qpf s THR 49 CO 0.02 0.22 0.72 0.00 -0.54 0.00 0.00 174.62 175.05 2qpf n ALA 50 N 0.77 -0.88 0.00 3.99 0.00 0.14 -1.24 120.51 123.28 2qpf n ALA 50 Ca 0.01 -0.94 0.19 0.00 0.00 0.00 0.00 53.44 52.69 2qpf n ALA 50 Cb 0.44 -0.05 0.67 0.00 0.00 0.00 0.00 19.45 20.51 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 0.03 0.00 0.00 4.39 -1.94 0.12 114.58 117.18 2qpf h GLU 51 Ca -0.23 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2qpf h GLU 51 Cb 0.65 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2qpf h GLU 51 CO 0.16 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 176.91 2qpf n SER 52 N -4.39 0.18 0.00 1.42 3.41 -1.26 -4.72 113.62 108.25 2qpf n SER 52 Ca 0.09 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2qpf n SER 52 Cb 0.57 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.55 0.67 3.59 5.00 0.00 0.03 -4.76 105.19 110.27 2qpf n GLY 53 Ca 0.04 0.00 -0.28 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 -0.19 2.15 -0.15 1.61 2.02 -1.26 -0.35 118.70 122.52 2qpf s GLU 54 Ca 0.00 -1.13 -0.00 0.00 0.02 0.00 0.00 54.97 53.86 2qpf s GLU 54 Cb 0.00 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 32.01 2qpf s GLU 54 CO 0.00 0.47 -0.07 -1.17 0.02 0.00 0.00 175.26 174.52 2qpf s LEU 55 N -2.55 1.57 0.39 1.80 2.96 0.76 -0.69 118.68 122.91 2qpf s LEU 55 Ca 0.24 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 2qpf s LEU 55 Cb -0.10 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 2qpf s LEU 55 CO 0.15 -0.16 0.17 -1.00 -1.32 0.00 0.00 176.35 174.19 2qpf s HIS 56 N 1.62 2.64 -1.29 5.38 3.76 -1.26 -2.30 115.29 123.85 2qpf s HIS 56 Ca 0.02 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 2qpf s HIS 56 Cb -0.15 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2qpf s HIS 56 CO -0.08 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.45 2qpf n GLY 57 N -1.21 0.19 0.30 -2.22 0.00 -1.26 -4.92 105.19 96.06 2qpf n GLY 57 Ca -0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 0.99 0.00 0.99 3.38 -1.87 -3.48 115.31 115.32 2qpf h LEU 58 Ca -0.33 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.28 2qpf h LEU 58 Cb 1.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2qpf h LEU 58 CO 0.41 0.98 0.01 1.07 0.09 0.00 0.00 178.44 181.00 2qpf n THR 59 N -4.28 0.00 -4.42 0.22 5.66 -1.26 -4.79 114.28 105.40 2qpf n THR 59 Ca 0.04 -0.96 -0.21 0.00 -3.05 0.00 0.00 64.05 59.88 2qpf n THR 59 Cb 0.27 0.69 -0.10 0.00 -1.55 0.00 0.00 70.33 69.63 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 -2.58 0.98 0.26 1.09 -4.23 -1.26 -4.60 115.64 105.31 2qpf s THR 60 Ca 0.15 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.95 2qpf s THR 60 Cb -0.02 -2.72 0.29 0.00 1.34 0.00 0.00 72.50 71.40 2qpf s THR 60 CO 0.11 0.00 1.98 0.44 -0.54 0.00 0.00 174.62 176.61 2qpf h ASP 61 N 2.15 0.00 -0.24 3.99 3.32 -1.88 0.17 116.42 123.93 2qpf h ASP 61 Ca -0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2qpf h ASP 61 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2qpf h ASP 61 CO 0.66 0.14 0.11 -0.33 -1.72 0.00 0.00 179.24 178.10 2qpf h GLU 62 N 0.00 0.35 0.02 3.56 3.07 -1.99 -3.34 114.58 116.26 2qpf h GLU 62 Ca -0.00 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.36 58.50 2qpf h GLU 62 Cb 0.51 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.32 2qpf h GLU 62 CO 0.02 0.38 -1.71 -0.22 -1.40 0.00 0.00 179.01 176.08 2qpf h LYS 63 N 0.25 0.04 -4.76 2.33 3.64 -1.90 -3.41 116.57 112.76 2qpf h LYS 63 Ca 0.08 -0.07 -0.71 0.00 -1.27 0.00 0.00 60.65 58.68 2qpf h LYS 63 Cb 0.15 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.90 2qpf h LYS 63 CO -0.01 0.63 2.30 0.34 -2.27 0.00 0.00 179.45 180.44 2qpf n PHE 64 N -3.13 4.13 -2.59 1.91 7.35 0.56 -4.96 117.46 120.74 2qpf n PHE 64 Ca -0.18 -2.97 -0.23 0.00 -0.76 0.00 0.00 57.45 53.31 2qpf n PHE 64 Cb 1.05 -2.43 0.09 0.00 0.35 0.00 0.00 39.48 38.53 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 2.86 2.28 0.18 -2.13 -7.23 -1.26 -4.83 120.40 110.26 2qpf s VAL 65 Ca 0.48 -0.60 -0.33 0.00 -1.81 0.00 0.00 61.98 59.71 2qpf s VAL 65 Cb 0.07 -2.67 -0.14 0.00 0.56 0.00 0.00 36.38 34.20 2qpf s VAL 65 CO 0.00 0.00 1.54 1.21 -0.31 0.00 0.00 175.10 177.55 2qpf n GLU 66 N -2.70 2.12 0.00 4.82 2.13 -1.26 -4.80 120.64 120.95 2qpf n GLU 66 Ca 0.13 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2qpf n GLU 66 Cb 0.60 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.80 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 3.15 -0.41 3.69 8.31 0.00 -1.09 -5.03 105.19 113.82 2qpf n GLY 67 Ca 0.16 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 5.31 0.16 1.61 1.01 -1.26 -1.10 120.40 124.13 2qpf s VAL 68 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.50 2qpf s VAL 68 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2qpf s VAL 68 CO 0.00 0.35 -0.17 -0.31 0.00 0.00 0.00 175.10 174.97 2qpf s TYR 69 N 0.85 2.50 -0.12 5.22 1.51 0.44 -0.75 117.35 127.00 2qpf s TYR 69 Ca 0.13 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2qpf s TYR 69 Cb -0.13 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2qpf s TYR 69 CO 0.04 0.46 -0.13 0.50 -1.11 0.00 0.00 175.55 175.31 2qpf s ARG 70 N -2.51 2.04 -0.23 -0.62 3.52 -0.36 -1.42 118.95 119.37 2qpf s ARG 70 Ca 0.21 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.30 2qpf s ARG 70 Cb -0.09 -1.85 -0.00 0.00 -1.56 0.00 0.00 34.95 31.44 2qpf s ARG 70 CO 0.12 -0.17 -0.03 0.08 -0.81 0.00 0.00 175.30 174.49 2qpf s VAL 71 N 1.31 3.39 -0.19 7.11 1.01 0.41 -0.28 120.40 133.16 2qpf s VAL 71 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2qpf s VAL 71 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2qpf s VAL 71 CO -0.06 0.38 -0.12 -0.70 0.00 0.00 0.00 175.10 174.60 2qpf s GLU 72 N 1.47 3.23 -0.19 2.72 2.12 0.53 -0.52 118.70 128.07 2qpf s GLU 72 Ca 0.05 -0.72 -0.15 0.00 0.36 0.00 0.00 54.97 54.52 2qpf s GLU 72 Cb -0.15 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2qpf s GLU 72 CO -0.03 -0.11 0.34 -0.51 -0.54 0.00 0.00 175.26 174.41 2qpf s LEU 73 N 1.17 4.18 -1.33 2.70 1.43 0.37 -1.29 118.68 125.91 2qpf s LEU 73 Ca 0.01 0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 2qpf s LEU 73 Cb -0.14 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2qpf s LEU 73 CO -0.04 -0.00 2.05 -0.67 0.23 0.00 0.00 176.35 177.91 2qpf n ASP 74 N 4.13 3.97 0.11 2.29 2.03 -0.16 -1.79 116.55 127.14 2qpf n ASP 74 Ca -0.10 -2.84 0.01 0.00 0.52 0.00 0.00 54.79 52.38 2qpf n ASP 74 Cb 0.51 -1.63 0.34 0.00 -0.72 0.00 0.00 41.12 39.63 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 4.58 1.22 0.16 5.18 1.35 -1.88 -2.85 112.91 120.67 2qpf h THR 75 Ca 0.51 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 2qpf h THR 75 Cb 0.72 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2qpf h THR 75 CO 1.75 0.30 -0.08 0.50 -0.25 0.00 0.00 175.52 177.75 2qpf h LYS 76 N 0.23 -0.21 -0.35 4.72 3.64 -1.74 -2.04 116.57 120.81 2qpf h LYS 76 Ca 0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2qpf h LYS 76 Cb 0.50 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2qpf h LYS 76 CO 0.03 -0.00 0.11 0.77 -2.27 0.00 0.00 179.45 178.09 2qpf h SER 77 N -0.39 0.45 0.04 4.20 0.02 -1.87 -2.04 113.55 113.96 2qpf h SER 77 Ca -0.02 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2qpf h SER 77 Cb 0.30 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2qpf h SER 77 CO 0.04 0.44 -0.02 0.22 -1.14 0.00 0.00 176.83 176.37 2qpf h TYR 78 N 0.50 -0.05 -0.42 3.45 3.20 -1.25 -2.02 116.97 120.38 2qpf h TYR 78 Ca 0.12 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 2qpf h TYR 78 Cb 0.15 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2qpf h TYR 78 CO 0.01 0.03 -0.13 -1.49 -1.64 0.00 0.00 178.16 174.94 2qpf h TRP 79 N -0.12 0.93 -0.03 -3.82 4.06 -1.22 -3.16 115.95 112.59 2qpf h TRP 79 Ca -0.01 -0.21 -0.06 0.00 2.06 0.00 0.00 58.89 60.67 2qpf h TRP 79 Cb 0.11 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2qpf h TRP 79 CO -0.05 0.96 -0.27 0.87 -3.56 0.00 0.00 178.44 176.38 2qpf h LYS 80 N 0.64 0.05 0.00 0.49 1.57 -0.90 0.02 116.57 118.45 2qpf h LYS 80 Ca 0.10 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2qpf h LYS 80 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2qpf h LYS 80 CO 0.05 0.33 -0.19 1.15 -0.57 0.00 0.00 179.45 180.22 2qpf h THR 81 N 0.05 1.07 -0.38 -0.16 2.02 -1.33 -2.32 112.91 111.85 2qpf h THR 81 Ca 0.01 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2qpf h THR 81 Cb 0.51 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2qpf h THR 81 CO 0.04 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.29 2qpf n LEU 82 N -4.22 2.35 0.00 2.58 4.77 -0.45 -4.93 117.00 117.10 2qpf n LEU 82 Ca -0.02 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2qpf n LEU 82 Cb 0.25 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qpf n LEU 82 CO 0.36 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2qpf n GLY 83 N 1.23 0.42 3.42 -0.72 0.00 -0.87 -5.04 105.19 103.63 2qpf n GLY 83 Ca 0.16 -0.75 -0.33 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 -2.00 3.18 -0.43 -0.61 1.01 -0.14 -4.98 121.20 117.24 2qpf s ILE 84 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 2qpf s ILE 84 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2qpf s ILE 84 CO 0.00 0.54 0.64 -0.44 0.00 0.00 0.00 174.94 175.68 2qpf s SER 85 N 0.03 6.33 0.58 3.58 0.01 -1.26 -2.23 113.70 120.74 2qpf s SER 85 Ca -0.04 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2qpf s SER 85 Cb -0.14 -2.32 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2qpf s SER 85 CO 0.04 -0.76 0.81 -2.16 0.41 0.00 0.00 173.24 171.59 2qpf s PRO 86 N 2.80 2.47 -0.14 12.44 0.04 -1.26 -4.98 135.00 146.37 2qpf s PRO 86 Ca 0.23 -0.72 -0.24 0.00 0.04 0.00 0.00 61.00 60.31 2qpf s PRO 86 Cb -0.14 -2.44 -0.21 0.00 0.04 0.00 0.00 34.50 31.75 2qpf s PRO 86 CO 0.18 -0.80 0.57 0.35 0.04 0.00 0.00 177.00 177.34 2qpf h PHE 87 N -0.04 0.00 -3.88 0.56 3.57 -1.46 -3.48 116.94 112.21 2qpf h PHE 87 Ca -0.42 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.61 2qpf h PHE 87 Cb 1.30 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 2qpf h PHE 87 CO 0.35 0.91 0.26 -1.01 -2.23 0.00 0.00 178.31 176.60 2qpf s HIS 88 N -2.15 3.47 0.28 0.41 3.76 -1.26 -4.97 115.29 114.83 2qpf s HIS 88 Ca -0.18 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.30 2qpf s HIS 88 Cb -0.01 -2.77 0.41 0.00 1.11 0.00 0.00 32.58 31.32 2qpf s HIS 88 CO 0.57 0.07 1.73 0.93 -0.85 0.00 0.00 174.74 177.20 2qpf h GLU 89 N 2.51 0.50 -2.20 1.40 4.39 -1.99 -3.38 114.58 115.81 2qpf h GLU 89 Ca -0.48 -0.18 0.24 0.00 0.34 0.00 0.00 59.36 59.28 2qpf h GLU 89 Cb 1.18 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.73 2qpf h GLU 89 CO 0.63 0.70 0.69 -0.59 -1.16 0.00 0.00 179.01 179.28 2qpf s PHE 90 N -4.55 0.01 -0.17 4.33 -0.71 -1.26 -4.09 117.98 111.54 2qpf s PHE 90 Ca -0.07 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 55.55 2qpf s PHE 90 Cb 0.14 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.61 2qpf s PHE 90 CO 0.79 -0.63 -0.13 0.00 -1.34 0.00 0.00 175.22 173.91 2qpf s ALA 91 N -2.35 1.94 0.22 1.99 0.00 -0.74 -4.89 121.76 117.93 2qpf s ALA 91 Ca 0.21 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.25 2qpf s ALA 91 Cb -0.01 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2qpf s ALA 91 CO 0.02 -0.53 -0.21 0.16 0.00 0.00 0.00 175.76 175.20 2qpf s ASP 92 N 1.44 3.61 -0.10 0.00 1.47 -1.26 -0.48 116.67 121.36 2qpf s ASP 92 Ca 0.03 -0.87 0.01 0.00 1.18 0.00 0.00 52.55 52.90 2qpf s ASP 92 Cb -0.14 -0.34 0.02 0.00 -0.34 0.00 0.00 42.92 42.12 2qpf s ASP 92 CO -0.10 0.10 -0.11 -0.69 0.68 0.00 0.00 175.17 175.05 2qpf s VAL 93 N -1.90 1.15 -0.10 2.11 1.01 0.32 -4.97 120.40 118.01 2qpf s VAL 93 Ca 0.24 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2qpf s VAL 93 Cb -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2qpf s VAL 93 CO 0.12 0.38 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 2qpf s VAL 94 N 1.21 2.03 0.00 2.92 1.01 -1.26 -0.45 120.40 125.87 2qpf s VAL 94 Ca -0.04 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 2qpf s VAL 94 Cb -0.14 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.54 2qpf s VAL 94 CO -0.03 0.55 0.64 0.72 0.00 0.00 0.00 175.10 176.98 2qpf s PHE 95 N 0.40 -0.60 0.07 5.22 -0.71 -0.51 -4.99 117.98 116.86 2qpf s PHE 95 Ca -0.18 0.88 -0.27 0.00 -1.04 0.00 0.00 56.93 56.32 2qpf s PHE 95 Cb -0.18 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.01 2qpf s PHE 95 CO 0.08 -0.66 0.84 0.99 -1.34 0.00 0.00 175.22 175.13 2qpf s THR 96 N -1.86 4.64 0.02 -4.49 2.01 -1.26 -0.42 115.64 114.28 2qpf s THR 96 Ca -0.08 1.80 0.07 0.00 0.31 0.00 0.00 61.69 63.80 2qpf s THR 96 Cb -0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2qpf s THR 96 CO 0.04 0.35 -0.21 0.00 -0.69 0.00 0.00 174.62 174.10 2qpf s ALA 97 N -0.04 1.81 -1.42 7.40 0.00 -0.26 -4.86 121.76 124.38 2qpf s ALA 97 Ca 0.42 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2qpf s ALA 97 Cb -0.22 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2qpf s ALA 97 CO 0.26 0.42 0.29 0.09 0.00 0.00 0.00 175.76 176.82 2qpf n ASN 98 N 2.14 -5.36 -0.40 0.00 3.02 -1.26 -2.66 115.26 110.74 2qpf n ASN 98 Ca -0.16 -0.14 0.13 0.00 -0.03 0.00 0.00 54.58 54.38 2qpf n ASN 98 Cb 0.53 -4.30 0.43 0.00 -0.61 0.00 0.00 39.78 35.83 2qpf n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2qpf n ASP 99 N -1.68 1.37 -2.23 6.41 5.75 -1.26 -3.47 116.55 121.43 2qpf n ASP 99 Ca -0.15 -1.26 -0.10 0.00 -0.01 0.00 0.00 54.79 53.28 2qpf n ASP 99 Cb 0.63 0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.84 2qpf n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2qpf n SER 100 N -0.14 2.97 0.00 -1.12 3.41 -1.26 -5.11 113.62 112.37 2qpf n SER 100 Ca 0.16 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2qpf n SER 100 Cb 0.36 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.60 1.40 3.74 5.00 0.00 -1.23 -5.00 105.19 108.50 2qpf n GLY 101 Ca 0.24 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.04 3.25 0.29 1.61 0.09 -1.26 -4.27 115.29 112.95 2qpf s HIS 102 Ca 0.00 1.25 0.05 0.00 -0.00 0.00 0.00 55.06 56.36 2qpf s HIS 102 Cb 0.00 -3.60 -0.06 0.00 -0.00 0.00 0.00 32.58 28.92 2qpf s HIS 102 CO 0.00 -1.85 0.00 1.03 -0.00 0.00 0.00 174.74 173.93 2qpf s ARG 103 N -0.31 1.54 -0.11 1.40 1.81 -1.26 -4.92 118.95 117.10 2qpf s ARG 103 Ca 0.56 -1.81 -0.04 0.00 -1.72 0.00 0.00 55.73 52.72 2qpf s ARG 103 Cb -0.37 -0.91 -0.04 0.00 -0.45 0.00 0.00 34.95 33.19 2qpf s ARG 103 CO 0.40 -0.09 0.04 -1.01 -0.68 0.00 0.00 175.30 173.96 2qpf s HIS 104 N -3.22 3.26 -0.03 -0.53 3.76 -0.36 -4.87 115.29 113.30 2qpf s HIS 104 Ca 0.32 0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.51 2qpf s HIS 104 Cb 0.06 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 2qpf s HIS 104 CO 0.13 0.47 -0.20 0.71 -0.85 0.00 0.00 174.74 174.99 2qpf s TYR 105 N -0.70 1.88 -0.12 1.40 1.51 0.51 -1.36 117.35 120.48 2qpf s TYR 105 Ca 0.12 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2qpf s TYR 105 Cb -0.12 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2qpf s TYR 105 CO 0.02 -0.10 -0.22 0.99 -1.11 0.00 0.00 175.55 175.13 2qpf s THR 106 N -0.27 1.99 -0.39 -0.71 2.01 -0.13 -1.19 115.64 116.96 2qpf s THR 106 Ca 0.02 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 2qpf s THR 106 Cb -0.10 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.70 2qpf s THR 106 CO 0.01 0.54 0.23 -0.63 -0.69 0.00 0.00 174.62 174.08 2qpf s ILE 107 N 0.58 4.74 -0.03 1.82 -1.09 -0.04 -0.87 121.20 126.31 2qpf s ILE 107 Ca -0.13 -0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 57.41 2qpf s ILE 107 Cb -0.17 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2qpf s ILE 107 CO 0.04 -0.27 0.17 0.00 -1.23 0.00 0.00 174.94 173.64 2qpf s ALA 108 N 1.58 3.92 -0.02 9.38 0.00 -0.12 -1.46 121.76 135.04 2qpf s ALA 108 Ca 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 2qpf s ALA 108 Cb -0.19 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2qpf s ALA 108 CO 0.07 0.72 0.07 0.00 0.00 0.00 0.00 175.76 176.62 2qpf s ALA 109 N -1.25 -0.18 -0.17 0.00 0.00 0.14 -1.28 121.76 119.03 2qpf s ALA 109 Ca 0.24 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2qpf s ALA 109 Cb -0.12 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2qpf s ALA 109 CO 0.15 -0.06 -0.17 -1.17 0.00 0.00 0.00 175.76 174.51 2qpf s LEU 110 N -0.19 2.31 -0.14 0.00 2.96 -0.26 -0.91 118.68 122.45 2qpf s LEU 110 Ca -0.02 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2qpf s LEU 110 Cb -0.02 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2qpf s LEU 110 CO 0.00 0.04 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.26 2qpf s LEU 111 N 1.04 3.18 0.22 -0.68 1.43 -0.04 -1.59 118.68 122.24 2qpf s LEU 111 Ca -0.01 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2qpf s LEU 111 Cb -0.14 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2qpf s LEU 111 CO -0.05 0.20 -0.12 -0.44 0.23 0.00 0.00 176.35 176.16 2qpf s SER 112 N 0.20 2.55 0.35 2.29 0.01 0.71 -1.03 113.70 118.78 2qpf s SER 112 Ca -0.03 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.25 2qpf s SER 112 Cb -0.14 -0.13 0.78 0.00 0.21 0.00 0.00 66.02 66.74 2qpf s SER 112 CO 0.03 -0.22 1.90 -0.65 0.41 0.00 0.00 173.24 174.71 2qpf h PRO 113 N 2.52 0.71 -0.25 12.44 0.11 -1.99 -2.93 132.00 142.61 2qpf h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qpf h PRO 113 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2qpf h PRO 113 CO 0.63 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.55 2qpf n TYR 114 N -4.53 0.41 -3.67 0.65 4.02 -1.26 -1.07 117.16 111.71 2qpf n TYR 114 Ca 0.15 -0.57 -0.15 0.00 -0.01 0.00 0.00 57.90 57.33 2qpf n TYR 114 Cb 0.38 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 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 -1.19 -0.46 0.04 7.72 0.15 -1.11 -4.95 113.70 113.91 2qpf s SER 115 Ca 0.21 0.64 -0.08 0.00 0.70 0.00 0.00 55.95 57.42 2qpf s SER 115 Cb 0.13 0.68 -0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2qpf s SER 115 CO 0.11 -0.38 0.16 -0.72 1.20 0.00 0.00 173.24 173.61 2qpf s TYR 116 N -0.63 0.11 0.10 3.44 -0.85 -1.26 -0.21 117.35 118.05 2qpf s TYR 116 Ca -0.07 -0.38 0.09 0.00 -0.52 0.00 0.00 57.07 56.19 2qpf s TYR 116 Cb -0.03 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 2qpf s TYR 116 CO 0.04 -0.42 -0.23 -1.54 -1.52 0.00 0.00 175.55 171.88 2qpf s SER 117 N -2.19 2.81 -0.00 -0.18 1.04 -0.62 -4.98 113.70 109.57 2qpf s SER 117 Ca -0.04 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2qpf s SER 117 Cb -0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2qpf s SER 117 CO -0.05 0.12 -0.01 0.28 0.98 0.00 0.00 173.24 174.56 2qpf s THR 118 N -1.07 0.14 0.04 2.02 -1.32 -1.26 -1.10 115.64 113.08 2qpf s THR 118 Ca 0.09 -0.05 0.04 0.00 -1.21 0.00 0.00 61.69 60.56 2qpf s THR 118 Cb -0.10 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 2qpf s THR 118 CO 0.04 0.05 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.51 2qpf s THR 119 N 0.09 0.84 -0.15 5.08 2.01 -0.40 -5.00 115.64 118.12 2qpf s THR 119 Ca -0.01 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 2qpf s THR 119 Cb -0.02 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 2qpf s THR 119 CO -0.00 -0.10 -0.01 0.00 -0.69 0.00 0.00 174.62 173.81 2qpf s ALA 120 N -0.91 3.12 -0.25 7.40 0.00 -1.26 -0.94 121.76 128.92 2qpf s ALA 120 Ca -0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 2qpf s ALA 120 Cb -0.08 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2qpf s ALA 120 CO 0.01 0.28 0.01 0.08 0.00 0.00 0.00 175.76 176.15 2qpf s VAL 121 N 0.11 3.70 -0.16 0.00 1.01 -0.05 -4.98 120.40 120.02 2qpf s VAL 121 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2qpf s VAL 121 Cb -0.13 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2qpf s VAL 121 CO 0.02 0.30 -0.13 -0.69 0.00 0.00 0.00 175.10 174.60 2qpf s VAL 122 N 1.50 2.87 0.18 2.92 1.01 -1.26 -0.95 120.40 126.66 2qpf s VAL 122 Ca 0.05 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2qpf s VAL 122 Cb -0.15 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 2qpf s VAL 122 CO -0.00 0.50 -0.12 -0.94 0.00 0.00 0.00 175.10 174.53 2qpf s SER 123 N 0.88 2.19 0.00 3.32 1.04 -0.46 -5.00 113.70 115.67 2qpf s SER 123 Ca -0.03 -1.02 0.26 0.00 0.48 0.00 0.00 55.95 55.64 2qpf s SER 123 Cb -0.15 -0.07 0.58 0.00 0.10 0.00 0.00 66.02 66.48 2qpf s SER 123 CO -0.01 -0.25 1.48 -3.20 0.98 0.00 0.00 173.24 172.25