#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcf s LYS 17 N 0.00 4.34 -0.07 2.12 0.00 -1.26 -4.96 119.74 119.91 3mcf s LYS 17 Ca 0.00 2.18 0.05 0.00 0.00 0.00 0.00 55.97 58.20 3mcf s LYS 17 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 37.83 34.69 3mcf s LYS 17 CO 0.00 -0.29 -0.23 0.15 0.00 0.00 0.00 175.35 174.98 3mcf s LYS 18 N -0.64 2.71 0.23 1.78 1.02 -1.26 -2.50 119.74 121.08 3mcf s LYS 18 Ca 0.56 -0.86 0.11 0.00 0.02 0.00 0.00 55.97 55.79 3mcf s LYS 18 Cb -0.39 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 3mcf s LYS 18 CO 0.44 0.35 -0.19 1.03 -0.92 0.00 0.00 175.35 176.05 3mcf s ARG 19 N -0.08 1.52 0.12 1.68 0.52 -0.42 -2.56 118.95 119.74 3mcf s ARG 19 Ca -0.06 -1.63 0.10 0.00 -0.52 0.00 0.00 55.73 53.62 3mcf s ARG 19 Cb -0.14 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 3mcf s ARG 19 CO 0.04 0.31 -0.25 0.00 0.02 0.00 0.00 175.30 175.42 3mcf s ALA 20 N -2.36 2.20 0.08 2.13 0.00 -0.22 -0.12 121.76 123.47 3mcf s ALA 20 Ca 0.25 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 3mcf s ALA 20 Cb -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3mcf s ALA 20 CO 0.11 0.48 -0.00 0.00 0.00 0.00 0.00 175.76 176.35 3mcf s ALA 21 N -1.12 0.67 -0.12 0.00 0.00 -0.19 -0.98 121.76 120.02 3mcf s ALA 21 Ca 0.12 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 3mcf s ALA 21 Cb -0.10 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.55 3mcf s ALA 21 CO 0.06 -0.40 0.25 0.00 0.00 0.00 0.00 175.76 175.66 3mcf s LEU 23 N 2.00 4.15 -0.34 0.00 1.43 0.14 -4.36 118.68 121.69 3mcf s LEU 23 Ca -0.02 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3mcf s LEU 23 Cb -0.11 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 3mcf s LEU 23 CO -0.08 -1.04 0.38 0.00 0.23 0.00 0.00 176.35 175.84 3mcf s PHE 25 N 2.07 3.30 0.13 0.00 0.08 0.11 -0.61 117.98 123.06 3mcf s PHE 25 Ca 0.13 0.17 0.24 0.00 0.12 0.00 0.00 56.93 57.59 3mcf s PHE 25 Cb -0.16 -1.70 0.91 0.00 -0.57 0.00 0.00 43.02 41.50 3mcf s PHE 25 CO 0.12 0.55 1.82 -0.09 -0.10 0.00 0.00 175.22 177.52 3mcf h ARG 26 N 3.58 0.00 -3.11 0.44 2.43 -1.61 -0.13 114.38 115.98 3mcf h ARG 26 Ca -0.47 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3mcf h ARG 26 Cb 1.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3mcf h ARG 26 CO 0.66 0.23 0.20 -1.54 -1.51 0.00 0.00 179.97 178.01 3mcf s SER 27 N -6.19 -0.08 0.04 -3.80 1.04 -1.26 -4.72 113.70 98.72 3mcf s SER 27 Ca 0.01 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.61 3mcf s SER 27 Cb 0.10 0.77 0.33 0.00 0.10 0.00 0.00 66.02 67.31 3mcf s SER 27 CO 0.64 -1.47 1.23 -1.84 0.98 0.00 0.00 173.24 172.77 3mcf n GLU 28 N -0.49 0.02 0.24 4.02 0.00 -1.26 -1.76 120.64 121.41 3mcf n GLU 28 Ca -0.05 0.43 0.15 0.00 0.00 0.00 0.00 57.16 57.69 3mcf n GLU 28 Cb 0.60 -1.55 0.52 0.00 0.00 0.00 0.00 31.44 31.00 3mcf n GLU 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mcf h ARG 29 N 0.00 0.00 -5.56 3.44 3.08 -1.98 -3.47 114.38 109.89 3mcf h ARG 29 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 3mcf h ARG 29 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3mcf h ARG 29 CO 0.00 0.00 -0.65 0.39 -1.07 0.00 0.00 179.97 178.64 3mcf n GLU 30 N -2.95 -4.92 0.02 0.04 1.02 -0.72 -4.87 120.64 108.26 3mcf n GLU 30 Ca 0.02 0.65 -0.04 0.00 -0.02 0.00 0.00 57.16 57.77 3mcf n GLU 30 Cb 0.36 -5.50 -0.11 0.00 -0.02 0.00 0.00 31.44 26.18 3mcf n GLU 30 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mcf h ASP 31 N -1.63 0.00 -3.46 1.62 3.32 -1.91 -3.47 116.42 110.90 3mcf h ASP 31 Ca -0.52 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.18 3mcf h ASP 31 Cb 1.35 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.55 3mcf h ASP 31 CO 0.60 0.80 -0.75 -0.70 -1.72 0.00 0.00 179.24 177.47 3mcf s GLU 32 N -2.76 0.30 0.10 3.56 2.12 -1.26 -2.16 118.70 118.60 3mcf s GLU 32 Ca -0.03 0.10 0.10 0.00 0.36 0.00 0.00 54.97 55.50 3mcf s GLU 32 Cb 0.08 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.91 3mcf s GLU 32 CO 0.81 -0.16 -0.25 0.54 -0.54 0.00 0.00 175.26 175.66 3mcf s VAL 33 N 1.19 2.07 -0.32 3.70 0.11 0.63 -1.57 120.40 126.21 3mcf s VAL 33 Ca -0.07 -1.60 -0.15 0.00 -2.93 0.00 0.00 61.98 57.23 3mcf s VAL 33 Cb -0.13 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 3mcf s VAL 33 CO -0.02 0.12 0.34 -0.22 -3.33 0.00 0.00 175.10 171.99 3mcf s LEU 34 N -1.80 4.30 0.25 2.54 2.96 0.22 -0.46 118.68 126.69 3mcf s LEU 34 Ca 0.11 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3mcf s LEU 34 Cb -0.10 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 3mcf s LEU 34 CO 0.05 -0.27 0.26 -0.76 -1.32 0.00 0.00 176.35 174.31 3mcf s LEU 35 N 1.99 3.96 0.23 -0.68 1.43 -0.56 -4.53 118.68 120.52 3mcf s LEU 35 Ca 0.12 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.14 3mcf s LEU 35 Cb -0.16 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3mcf s LEU 35 CO 0.11 -0.07 -0.15 0.68 0.23 0.00 0.00 176.35 177.15 3mcf s VAL 36 N -2.10 1.92 0.48 -1.59 -7.23 -0.60 -1.24 120.40 110.03 3mcf s VAL 36 Ca 0.34 -2.26 -0.20 0.00 -1.81 0.00 0.00 61.98 58.05 3mcf s VAL 36 Cb -0.08 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 3mcf s VAL 36 CO 0.26 -0.53 1.01 -0.94 -0.31 0.00 0.00 175.10 174.60 3mcf s SER 37 N -3.37 6.48 0.39 4.85 1.04 -0.09 -0.38 113.70 122.61 3mcf s SER 37 Ca 0.25 1.85 -0.26 0.00 0.48 0.00 0.00 55.95 58.27 3mcf s SER 37 Cb -0.01 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 3mcf s SER 37 CO 0.09 -0.68 1.18 -0.55 0.98 0.00 0.00 173.24 174.26 3mcf s SER 38 N -2.09 6.58 0.35 7.02 0.15 -0.38 -4.73 113.70 120.60 3mcf s SER 38 Ca 0.66 2.38 0.19 0.00 0.70 0.00 0.00 55.95 59.88 3mcf s SER 38 Cb -0.14 -2.62 0.26 0.00 -1.71 0.00 0.00 66.02 61.81 3mcf s SER 38 CO 0.19 -0.64 1.55 0.77 1.20 0.00 0.00 173.24 176.31 3mcf h SER 39 N 2.78 0.00 0.07 5.45 4.64 -1.95 -3.27 113.55 121.27 3mcf h SER 39 Ca -0.49 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.66 3mcf h SER 39 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3mcf h SER 39 CO 0.63 0.30 -0.84 0.03 -0.87 0.00 0.00 176.83 176.08 3mcf h ARG 40 N 0.00 0.16 -3.54 4.77 3.08 -1.99 -3.43 114.38 113.43 3mcf h ARG 40 Ca -0.00 -0.27 -0.62 0.00 0.07 0.00 0.00 59.98 59.15 3mcf h ARG 40 Cb 1.18 0.10 -0.40 0.00 0.08 0.00 0.00 29.97 30.93 3mcf h ARG 40 CO 0.04 1.13 -0.71 0.71 -1.07 0.00 0.00 179.97 180.07 3mcf s TYR 41 N -2.38 2.59 0.54 3.04 2.02 -1.25 -5.01 117.35 116.91 3mcf s TYR 41 Ca -0.19 -2.60 0.38 0.00 -0.37 0.00 0.00 57.07 54.29 3mcf s TYR 41 Cb 0.02 -2.30 2.09 0.00 -0.40 0.00 0.00 41.96 41.36 3mcf s TYR 41 CO 0.74 -0.82 2.17 -1.35 -1.57 0.00 0.00 175.55 174.72 3mcf h PRO 42 N 7.11 0.00 -0.00 -1.71 0.11 -1.84 0.46 132.00 136.14 3mcf h PRO 42 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3mcf h PRO 42 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3mcf h PRO 42 CO 0.54 0.00 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.84 3mcf n ASP 43 N -2.91 0.30 -4.88 -2.05 8.00 -1.26 -4.55 116.55 109.21 3mcf n ASP 43 Ca -0.03 -0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.15 3mcf n ASP 43 Cb 0.13 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3mcf n ASP 43 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3mcf s ARG 44 N -2.92 3.78 0.05 -1.24 0.52 0.15 -5.00 118.95 114.29 3mcf s ARG 44 Ca 0.15 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 3mcf s ARG 44 Cb 0.18 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 3mcf s ARG 44 CO 0.60 0.36 -0.03 -1.58 0.02 0.00 0.00 175.30 174.66 3mcf s TRP 45 N -1.75 2.95 0.13 -0.53 0.52 -1.26 -1.25 118.94 117.74 3mcf s TRP 45 Ca 0.45 -0.02 -0.03 0.00 0.02 0.00 0.00 56.10 56.52 3mcf s TRP 45 Cb -0.12 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 3mcf s TRP 45 CO 0.21 0.44 0.12 0.96 0.02 0.00 0.00 176.95 178.70 3mcf s ILE 46 N -1.16 0.10 0.00 2.03 -4.36 0.49 -4.72 121.20 113.59 3mcf s ILE 46 Ca 0.21 -1.73 -0.25 0.00 -0.26 0.00 0.00 60.65 58.62 3mcf s ILE 46 Cb -0.11 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 3mcf s ILE 46 CO 0.13 -0.47 0.77 -0.69 0.24 0.00 0.00 174.94 174.92 3mcf s VAL 47 N -4.01 4.85 0.50 8.37 1.01 -1.26 -1.56 120.40 128.30 3mcf s VAL 47 Ca 0.20 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 3mcf s VAL 47 Cb 0.06 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3mcf s VAL 47 CO -0.00 0.30 1.23 -2.16 0.00 0.00 0.00 175.10 174.47 3mcf s PRO 48 N 0.35 3.47 0.00 2.72 0.04 -1.26 -4.87 135.00 135.45 3mcf s PRO 48 Ca 0.40 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3mcf s PRO 48 Cb -0.20 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3mcf s PRO 48 CO 0.22 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3mcf n GLY 49 N 0.54 -1.44 0.00 0.56 0.00 -1.26 -1.97 105.19 101.62 3mcf n GLY 49 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3mcf n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcf n GLY 50 N -0.15 -1.49 3.81 -0.02 0.00 -0.16 -4.98 105.19 102.20 3mcf n GLY 50 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3mcf n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mcf s GLY 51 N 0.00 1.94 0.23 -0.02 0.00 -1.26 -1.05 107.32 107.16 3mcf s GLY 51 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.79 3mcf s GLY 51 CO 0.00 0.55 0.69 1.06 0.00 0.00 0.00 173.10 175.40 3mcf s MET 52 N -4.46 4.13 0.80 2.90 1.00 -1.06 -4.85 119.30 117.76 3mcf s MET 52 Ca 0.61 0.73 -0.10 0.00 0.00 0.00 0.00 55.69 56.92 3mcf s MET 52 Cb -0.15 -2.78 0.09 0.00 0.00 0.00 0.00 34.83 32.00 3mcf s MET 52 CO 0.43 0.36 1.14 -1.21 0.00 0.00 0.00 175.02 175.74 3mcf s GLU 53 N -2.22 1.83 0.39 2.03 2.02 -1.26 -4.98 118.70 116.50 3mcf s GLU 53 Ca 0.45 -0.13 -0.28 0.00 0.02 0.00 0.00 54.97 55.03 3mcf s GLU 53 Cb -0.15 -2.02 -0.11 0.00 0.10 0.00 0.00 34.13 31.96 3mcf s GLU 53 CO 0.20 -1.60 1.48 -2.30 0.02 0.00 0.00 175.26 173.06 3mcf n PRO 54 N -3.24 2.63 -0.83 0.39 -0.02 -1.26 -2.38 135.00 130.29 3mcf n PRO 54 Ca 0.09 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3mcf n PRO 54 Cb 0.61 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3mcf n PRO 54 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mcf n GLU 55 N 0.36 -0.45 -3.04 -0.52 -0.58 -1.26 -4.96 120.64 110.19 3mcf n GLU 55 Ca 0.02 0.11 -0.39 0.00 -0.42 0.00 0.00 57.16 56.47 3mcf n GLU 55 Cb 0.39 -3.83 -0.06 0.00 -0.57 0.00 0.00 31.44 27.37 3mcf n GLU 55 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3mcf s GLU 56 N -0.79 4.48 0.42 3.49 2.12 -1.00 -5.07 118.70 122.35 3mcf s GLU 56 Ca 0.00 1.05 -0.14 0.00 0.36 0.00 0.00 54.97 56.24 3mcf s GLU 56 Cb 0.00 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.03 3mcf s GLU 56 CO 0.00 0.52 0.83 -1.21 -0.54 0.00 0.00 175.26 174.86 3mcf s GLU 57 N -0.91 3.90 0.20 4.30 0.41 -1.26 -4.87 118.70 120.48 3mcf s GLU 57 Ca 0.35 0.68 -0.10 0.00 -0.41 0.00 0.00 54.97 55.49 3mcf s GLU 57 Cb -0.22 -2.32 0.26 0.00 -1.78 0.00 0.00 34.13 30.07 3mcf s GLU 57 CO 0.24 -0.05 1.74 -1.35 -0.49 0.00 0.00 175.26 175.35 3mcf h PRO 58 N 1.44 0.36 -0.58 0.39 0.11 -1.97 0.33 132.00 132.07 3mcf h PRO 58 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3mcf h PRO 58 Cb 1.18 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3mcf h PRO 58 CO 0.63 0.24 0.23 0.78 -0.21 0.00 0.00 178.00 179.67 3mcf h GLY 59 N 0.37 0.91 0.96 -0.55 0.00 -1.96 -0.64 103.07 102.16 3mcf h GLY 59 Ca 0.29 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3mcf h GLY 59 CO -0.31 0.44 0.19 -1.33 0.00 0.00 0.00 176.54 175.53 3mcf h GLY 60 N 0.96 0.69 1.01 4.60 0.00 -1.40 -2.04 103.07 106.88 3mcf h GLY 60 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3mcf h GLY 60 CO -0.02 0.34 0.41 0.00 0.00 0.00 0.00 176.54 177.27 3mcf h ALA 61 N 1.04 0.92 -0.01 3.60 0.00 -0.52 -1.57 119.26 122.71 3mcf h ALA 61 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mcf h ALA 61 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3mcf h ALA 61 CO -0.01 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.57 3mcf h ALA 62 N 1.21 -0.09 -0.62 0.00 0.00 -0.92 0.36 119.26 119.20 3mcf h ALA 62 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3mcf h ALA 62 Cb 0.02 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3mcf h ALA 62 CO -0.04 -0.58 0.40 0.28 0.00 0.00 0.00 179.25 179.31 3mcf h VAL 63 N -0.15 1.17 -0.43 0.00 2.07 -1.22 -2.23 116.25 115.46 3mcf h VAL 63 Ca 0.04 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3mcf h VAL 63 Cb 0.20 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3mcf h VAL 63 CO -0.10 0.16 -0.01 -0.09 0.02 0.00 0.00 177.57 177.55 3mcf h ARG 64 N 0.84 0.76 -0.64 1.57 2.43 -1.10 -2.66 114.38 115.57 3mcf h ARG 64 Ca 0.23 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3mcf h ARG 64 Cb -0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3mcf h ARG 64 CO -0.05 0.84 0.34 0.93 -1.51 0.00 0.00 179.97 180.52 3mcf h GLU 65 N 0.60 0.90 0.00 0.20 4.39 -0.69 0.01 114.58 119.98 3mcf h GLU 65 Ca 0.12 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3mcf h GLU 65 Cb 0.50 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3mcf h GLU 65 CO 0.02 0.69 -0.41 -0.39 -1.16 0.00 0.00 179.01 177.77 3mcf h VAL 66 N 0.88 0.97 -0.16 3.13 -1.51 -1.40 0.17 116.25 118.32 3mcf h VAL 66 Ca 0.22 -1.59 -0.05 0.00 -1.23 0.00 0.00 66.70 64.06 3mcf h VAL 66 Cb 0.06 1.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3mcf h VAL 66 CO -0.03 0.40 -0.09 0.22 -1.23 0.00 0.00 177.57 176.83 3mcf h TYR 67 N 0.00 0.41 -0.12 5.19 3.20 -1.04 -1.44 116.97 123.17 3mcf h TYR 67 Ca -0.00 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 3mcf h TYR 67 Cb 0.91 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.09 3mcf h TYR 67 CO 0.00 0.68 -0.37 0.93 -1.64 0.00 0.00 178.16 177.76 3mcf h GLU 68 N 0.02 0.46 0.00 1.82 5.08 -0.78 -2.26 114.58 118.92 3mcf h GLU 68 Ca 0.03 -0.34 -0.25 0.00 -1.00 0.00 0.00 59.36 57.81 3mcf h GLU 68 Cb 0.58 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 3mcf h GLU 68 CO 0.03 0.96 -1.38 0.93 -1.00 0.00 0.00 179.01 178.54 3mcf h GLU 69 N 0.05 0.00 0.00 2.33 5.08 -0.79 -1.84 114.58 119.41 3mcf h GLU 69 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3mcf h GLU 69 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3mcf h GLU 69 CO 0.08 0.69 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 3mcf n ALA 70 N -2.46 1.54 -2.32 3.43 0.00 -0.68 -4.71 120.51 115.32 3mcf n ALA 70 Ca -0.09 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 3mcf n ALA 70 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.44 3mcf n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mcf n GLY 71 N 0.13 -0.27 3.82 0.00 0.00 -0.83 -4.80 105.19 103.23 3mcf n GLY 71 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3mcf n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcf s VAL 72 N -2.79 5.28 0.05 1.61 1.01 -0.63 -0.34 120.40 124.60 3mcf s VAL 72 Ca 0.01 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.60 3mcf s VAL 72 Cb -0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3mcf s VAL 72 CO 0.01 0.53 -0.26 -0.54 0.00 0.00 0.00 175.10 174.85 3mcf s LYS 73 N -0.57 1.70 0.00 2.72 1.02 -0.28 -3.43 119.74 120.91 3mcf s LYS 73 Ca 0.18 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.06 3mcf s LYS 73 Cb -0.14 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 3mcf s LYS 73 CO 0.07 0.49 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 3mcf n GLY 74 N 1.69 0.88 3.37 -3.33 0.00 -1.26 -0.66 105.19 105.88 3mcf n GLY 74 Ca -0.17 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3mcf n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcf s LYS 75 N -1.03 2.97 0.15 1.61 1.02 0.08 -4.87 119.74 119.68 3mcf s LYS 75 Ca 0.00 -0.96 -0.31 0.00 0.02 0.00 0.00 55.97 54.71 3mcf s LYS 75 Cb 0.00 -3.58 -0.10 0.00 -0.52 0.00 0.00 37.83 33.63 3mcf s LYS 75 CO 0.00 -0.57 1.55 -1.17 -0.92 0.00 0.00 175.35 174.23 3mcf s LEU 76 N 1.54 4.37 0.00 3.17 2.96 -1.26 -1.17 118.68 128.29 3mcf s LEU 76 Ca 0.02 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 3mcf s LEU 76 Cb -0.18 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3mcf s LEU 76 CO 0.05 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 3mcf n GLY 77 N 3.73 2.96 3.77 7.98 0.00 0.12 -4.94 105.19 118.81 3mcf n GLY 77 Ca 0.14 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3mcf n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mcf s ARG 78 N 3.94 3.06 -0.43 1.61 1.70 -1.26 -4.56 118.95 123.01 3mcf s ARG 78 Ca 0.00 1.56 -0.28 0.00 -0.47 0.00 0.00 55.73 56.54 3mcf s ARG 78 Cb 0.00 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.40 3mcf s ARG 78 CO 0.00 -1.08 1.69 -1.17 -1.08 0.00 0.00 175.30 173.66 3mcf s LEU 79 N -4.27 3.47 0.21 -1.89 2.96 -1.26 -1.53 118.68 116.37 3mcf s LEU 79 Ca 0.71 0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3mcf s LEU 79 Cb -0.24 -3.27 0.19 0.00 0.50 0.00 0.00 46.19 43.37 3mcf s LEU 79 CO 0.34 -1.79 1.60 0.25 -1.32 0.00 0.00 176.35 175.43 3mcf h LEU 80 N 13.86 0.70 0.00 -0.68 5.85 0.33 -3.48 115.31 131.90 3mcf h LEU 80 Ca -0.30 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3mcf h LEU 80 Cb 1.15 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3mcf h LEU 80 CO 1.10 0.97 0.00 0.61 -0.34 0.00 0.00 178.44 180.78 3mcf n GLY 81 N -0.11 0.90 3.22 3.75 0.00 -1.10 -5.01 105.19 106.83 3mcf n GLY 81 Ca -0.01 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3mcf n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcf s VAL 82 N -2.00 3.17 -0.12 1.61 1.01 -1.26 -0.94 120.40 121.87 3mcf s VAL 82 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 3mcf s VAL 82 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3mcf s VAL 82 CO 0.00 0.01 0.05 -0.36 0.00 0.00 0.00 175.10 174.79 3mcf s PHE 83 N 1.32 3.28 0.10 5.22 0.08 0.00 -4.91 117.98 123.08 3mcf s PHE 83 Ca -0.02 0.23 0.07 0.00 0.12 0.00 0.00 56.93 57.34 3mcf s PHE 83 Cb -0.18 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 3mcf s PHE 83 CO -0.01 0.45 -0.19 -1.83 -0.10 0.00 0.00 175.22 173.54 3mcf s GLU 84 N -0.62 1.06 0.00 0.44 -1.05 -1.26 -0.97 118.70 116.30 3mcf s GLU 84 Ca 0.11 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 3mcf s GLU 84 Cb -0.12 -1.24 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 3mcf s GLU 84 CO 0.02 0.28 0.00 -2.39 0.95 0.00 0.00 175.26 174.12 3mcf n HIS 91 N 1.05 0.00 -4.42 4.83 -0.00 -1.26 -4.98 115.22 110.44 3mcf n HIS 91 Ca -0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.31 3mcf n HIS 91 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.40 3mcf n HIS 91 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3mcf s ARG 92 N 0.00 1.05 -0.18 -1.40 3.52 -1.04 -5.01 118.95 115.89 3mcf s ARG 92 Ca 0.00 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 3mcf s ARG 92 Cb 0.00 -1.09 -0.00 0.00 -1.56 0.00 0.00 34.95 32.29 3mcf s ARG 92 CO 0.00 0.27 -0.11 0.99 -0.81 0.00 0.00 175.30 175.64 3mcf s THR 93 N -0.84 2.91 -0.33 4.11 2.01 -0.14 -1.30 115.64 122.06 3mcf s THR 93 Ca 0.03 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 3mcf s THR 93 Cb -0.08 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.16 3mcf s THR 93 CO 0.01 0.49 0.71 -0.31 -0.69 0.00 0.00 174.62 174.83 3mcf s TYR 94 N 1.07 3.18 -0.26 4.92 2.02 0.82 -0.82 117.35 128.29 3mcf s TYR 94 Ca -0.00 0.62 -0.08 0.00 -0.37 0.00 0.00 57.07 57.23 3mcf s TYR 94 Cb -0.15 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 3mcf s TYR 94 CO -0.03 -0.58 0.11 0.08 -1.57 0.00 0.00 175.55 173.56 3mcf s VAL 95 N 2.84 4.63 0.27 0.71 1.01 -0.12 -1.02 120.40 128.72 3mcf s VAL 95 Ca 0.29 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3mcf s VAL 95 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3mcf s VAL 95 CO 0.13 0.31 0.16 -0.31 0.00 0.00 0.00 175.10 175.40 3mcf s TYR 96 N 1.64 2.97 0.10 5.22 2.02 -0.37 0.10 117.35 129.03 3mcf s TYR 96 Ca 0.07 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 3mcf s TYR 96 Cb -0.15 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3mcf s TYR 96 CO 0.06 0.48 0.03 0.14 -1.57 0.00 0.00 175.55 174.70 3mcf s VAL 97 N -2.22 4.17 -0.06 0.71 -7.23 -0.58 -0.68 120.40 114.51 3mcf s VAL 97 Ca 0.34 -0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 59.44 3mcf s VAL 97 Cb -0.07 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 33.87 3mcf s VAL 97 CO 0.24 0.08 0.23 -0.22 -0.31 0.00 0.00 175.10 175.12 3mcf s LEU 98 N -2.46 1.14 -0.34 1.32 0.20 -0.26 0.14 118.68 118.40 3mcf s LEU 98 Ca 0.27 0.26 -0.13 0.00 0.69 0.00 0.00 54.13 55.22 3mcf s LEU 98 Cb -0.11 0.88 -0.02 0.00 -0.43 0.00 0.00 46.19 46.51 3mcf s LEU 98 CO 0.20 -0.22 0.25 -0.89 -0.29 0.00 0.00 176.35 175.40 3mcf s THR 99 N -0.48 5.28 0.18 3.68 2.01 -0.31 -0.71 115.64 125.29 3mcf s THR 99 Ca -0.06 -0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.41 3mcf s THR 99 Cb -0.04 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 3mcf s THR 99 CO 0.01 -0.03 1.53 -0.69 -0.69 0.00 0.00 174.62 174.76 3mcf s VAL 100 N 1.74 2.69 -0.05 3.82 1.01 -0.06 -0.74 120.40 128.81 3mcf s VAL 100 Ca 0.06 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3mcf s VAL 100 Cb -0.17 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 3mcf s VAL 100 CO 0.11 0.05 0.11 0.35 0.00 0.00 0.00 175.10 175.71 3mcf n THR 101 N 3.67 0.30 -3.74 3.92 -2.24 0.17 -4.80 114.28 111.56 3mcf n THR 101 Ca 0.12 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3mcf n THR 101 Cb 0.39 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 3mcf n THR 101 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mcf s GLU 102 N -2.40 0.48 -0.19 -0.78 2.12 -0.72 -5.00 118.70 112.20 3mcf s GLU 102 Ca -0.04 0.48 -0.03 0.00 0.36 0.00 0.00 54.97 55.74 3mcf s GLU 102 Cb 0.04 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 3mcf s GLU 102 CO 0.36 -0.07 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.43 3mcf s LEU 103 N 0.06 2.87 0.34 2.70 1.43 -1.26 -1.12 118.68 123.70 3mcf s LEU 103 Ca -0.01 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3mcf s LEU 103 Cb -0.03 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 3mcf s LEU 103 CO 0.01 0.04 1.00 -0.76 0.23 0.00 0.00 176.35 176.86 3mcf s LEU 104 N 1.14 4.31 0.09 1.79 1.02 0.54 -4.98 118.68 122.58 3mcf s LEU 104 Ca 0.02 1.96 -0.16 0.00 0.02 0.00 0.00 54.13 55.97 3mcf s LEU 104 Cb -0.14 -4.01 -0.11 0.00 0.02 0.00 0.00 46.19 41.95 3mcf s LEU 104 CO -0.01 -0.21 1.38 -0.08 0.02 0.00 0.00 176.35 177.45 3mcf h GLU 105 N 3.06 0.65 -5.03 1.70 4.81 -1.98 -3.42 114.58 114.37 3mcf h GLU 105 Ca -0.47 -0.38 -0.55 0.00 -0.13 0.00 0.00 59.36 57.83 3mcf h GLU 105 Cb 1.20 0.03 -0.32 0.00 0.63 0.00 0.00 28.75 30.29 3mcf h GLU 105 CO 0.64 0.99 -0.83 -0.51 -0.73 0.00 0.00 179.01 178.57 3mcf s ASP 106 N -6.56 2.05 0.35 1.04 1.01 -1.26 -5.10 116.67 108.20 3mcf s ASP 106 Ca -0.12 -0.34 0.03 0.00 0.71 0.00 0.00 52.55 52.83 3mcf s ASP 106 Cb 0.08 -0.71 -0.04 0.00 1.01 0.00 0.00 42.92 43.25 3mcf s ASP 106 CO 0.83 0.11 0.10 -1.66 0.21 0.00 0.00 175.17 174.76 3mcf s TRP 107 N 0.26 1.79 0.10 4.23 -2.14 -1.26 -5.00 118.94 116.92 3mcf s TRP 107 Ca -0.08 -1.16 -0.24 0.00 2.66 0.00 0.00 56.10 57.28 3mcf s TRP 107 Cb -0.13 -1.14 -0.08 0.00 -3.10 0.00 0.00 33.47 29.03 3mcf s TRP 107 CO 0.03 -0.22 1.39 1.49 -2.66 0.00 0.00 176.95 176.99 3mcf h GLU 108 N 2.03 -0.24 0.00 3.25 4.81 -1.81 -1.55 114.58 121.07 3mcf h GLU 108 Ca -0.37 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3mcf h GLU 108 Cb 1.26 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3mcf h GLU 108 CO 0.61 -0.16 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.01 3mcf h ASP 109 N -0.25 0.00 -0.34 1.04 5.19 -1.61 0.01 116.42 120.46 3mcf h ASP 109 Ca 0.06 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 3mcf h ASP 109 Cb 0.41 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3mcf h ASP 109 CO -0.46 0.28 -0.06 0.77 -3.12 0.00 0.00 179.24 176.65 3mcf h SER 110 N 0.00 0.64 -0.19 6.45 4.64 -1.57 -1.62 113.55 121.90 3mcf h SER 110 Ca -0.00 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 3mcf h SER 110 Cb 0.68 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3mcf h SER 110 CO 0.04 0.84 -0.28 0.58 -0.87 0.00 0.00 176.83 177.13 3mcf h VAL 111 N 0.43 1.34 0.02 0.95 2.07 -0.85 -1.78 116.25 118.43 3mcf h VAL 111 Ca 0.09 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 3mcf h VAL 111 Cb 0.54 1.84 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3mcf h VAL 111 CO 0.03 0.46 -0.46 0.77 0.02 0.00 0.00 177.57 178.39 3mcf h SER 112 N 0.19 0.37 0.00 0.57 4.64 -1.05 -3.39 113.55 114.88 3mcf h SER 112 Ca 0.02 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 3mcf h SER 112 Cb 0.86 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3mcf h SER 112 CO 0.07 1.13 0.00 2.30 -0.87 0.00 0.00 176.83 179.45 3mcf n ILE 113 N -4.34 0.00 -2.02 0.95 -5.35 -0.82 -5.01 119.36 102.76 3mcf n ILE 113 Ca -0.10 -0.44 -0.04 0.00 -0.27 0.00 0.00 62.75 61.90 3mcf n ILE 113 Cb 0.61 1.09 -0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3mcf n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mcf n GLY 114 N 0.26 0.23 3.77 3.28 0.00 -0.67 -5.01 105.19 107.06 3mcf n GLY 114 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3mcf n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mcf s ARG 115 N -4.09 4.07 0.33 1.61 3.52 -0.69 -4.92 118.95 118.77 3mcf s ARG 115 Ca 0.00 2.28 0.08 0.00 -0.13 0.00 0.00 55.73 57.96 3mcf s ARG 115 Cb 0.00 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 3mcf s ARG 115 CO 0.00 -0.45 0.16 0.15 -0.81 0.00 0.00 175.30 174.35 3mcf s LYS 116 N -2.11 2.46 0.10 5.12 1.02 -1.26 -4.15 119.74 120.91 3mcf s LYS 116 Ca 0.54 -1.47 0.04 0.00 0.02 0.00 0.00 55.97 55.11 3mcf s LYS 116 Cb -0.41 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3mcf s LYS 116 CO 0.54 0.15 -0.11 -0.98 -0.92 0.00 0.00 175.35 174.02 3mcf s ARG 117 N -3.86 0.86 -0.25 1.68 1.70 -1.26 -0.92 118.95 116.90 3mcf s ARG 117 Ca 0.37 -1.15 -0.25 0.00 -0.47 0.00 0.00 55.73 54.23 3mcf s ARG 117 Cb -0.04 -0.58 0.07 0.00 -0.57 0.00 0.00 34.95 33.83 3mcf s ARG 117 CO 0.23 0.09 0.71 -2.00 -1.08 0.00 0.00 175.30 173.25 3mcf s GLU 118 N -2.72 0.84 0.15 3.89 2.12 -0.37 -4.99 118.70 117.62 3mcf s GLU 118 Ca 0.05 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 3mcf s GLU 118 Cb -0.03 0.41 -0.07 0.00 0.26 0.00 0.00 34.13 34.69 3mcf s GLU 118 CO 0.00 -0.11 0.97 -1.58 -0.54 0.00 0.00 175.26 174.01 3mcf s TRP 119 N 0.29 3.83 -0.03 5.30 0.52 -1.26 -1.49 118.94 126.10 3mcf s TRP 119 Ca -0.01 1.81 0.03 0.00 0.02 0.00 0.00 56.10 57.95 3mcf s TRP 119 Cb -0.05 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.21 3mcf s TRP 119 CO 0.01 0.18 -0.10 -0.06 0.02 0.00 0.00 176.95 177.00 3mcf s PHE 120 N -0.35 0.99 0.52 -1.98 0.08 0.39 -4.95 117.98 112.69 3mcf s PHE 120 Ca 0.46 -0.25 -0.22 0.00 0.12 0.00 0.00 56.93 57.04 3mcf s PHE 120 Cb -0.25 -0.70 -0.07 0.00 -0.57 0.00 0.00 43.02 41.44 3mcf s PHE 120 CO 0.31 -0.10 1.17 1.63 -0.10 0.00 0.00 175.22 178.13 3mcf n LYS 121 N 3.26 1.42 -0.18 0.44 5.02 -1.26 -0.26 118.16 126.59 3mcf n LYS 121 Ca -0.18 0.52 -0.01 0.00 -2.02 0.00 0.00 58.31 56.63 3mcf n LYS 121 Cb 0.54 -2.33 0.09 0.00 -0.02 0.00 0.00 35.03 33.31 3mcf n LYS 121 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3mcf h VAL 122 N 1.25 0.70 -0.67 -0.18 2.07 -1.77 0.19 116.25 117.85 3mcf h VAL 122 Ca -0.49 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3mcf h VAL 122 Cb 1.33 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3mcf h VAL 122 CO 0.55 0.05 0.22 -0.33 0.02 0.00 0.00 177.57 178.08 3mcf h GLU 123 N 0.29 1.01 -0.51 1.57 4.39 -1.90 -0.42 114.58 119.00 3mcf h GLU 123 Ca 0.29 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3mcf h GLU 123 Cb 0.39 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3mcf h GLU 123 CO -0.35 0.86 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.88 3mcf h ASP 124 N 0.98 0.88 -0.16 1.42 3.32 -1.56 -2.46 116.42 118.84 3mcf h ASP 124 Ca 0.22 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3mcf h ASP 124 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3mcf h ASP 124 CO -0.01 0.97 0.08 0.00 -1.72 0.00 0.00 179.24 178.56 3mcf h ALA 125 N 1.12 0.19 -0.82 3.45 0.00 0.13 -1.99 119.26 121.34 3mcf h ALA 125 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3mcf h ALA 125 Cb 0.55 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3mcf h ALA 125 CO 0.03 -0.35 0.47 0.82 0.00 0.00 0.00 179.25 180.22 3mcf h ILE 126 N 0.18 0.91 -0.43 0.00 2.04 -0.98 -1.37 117.51 117.86 3mcf h ILE 126 Ca 0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3mcf h ILE 126 Cb 0.00 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3mcf h ILE 126 CO -0.04 0.14 0.24 0.11 0.00 0.00 0.00 178.15 178.60 3mcf h LYS 127 N 0.78 0.59 0.00 2.37 1.57 -0.94 -0.69 116.57 120.25 3mcf h LYS 127 Ca 0.40 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 3mcf h LYS 127 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3mcf h LYS 127 CO -0.25 0.47 -0.17 -0.39 -0.57 0.00 0.00 179.45 178.54 3mcf h VAL 128 N 0.55 0.37 0.10 0.50 -1.51 -0.95 -3.25 116.25 112.07 3mcf h VAL 128 Ca 0.15 -1.13 -0.30 0.00 -1.23 0.00 0.00 66.70 64.19 3mcf h VAL 128 Cb 0.05 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 3mcf h VAL 128 CO -0.02 0.17 -1.51 -0.07 -1.23 0.00 0.00 177.57 174.90 3mcf h LEU 129 N 0.00 0.32 -1.60 4.19 3.38 -0.95 -3.41 115.31 117.25 3mcf h LEU 129 Ca -0.00 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.55 3mcf h LEU 129 Cb 0.84 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3mcf h LEU 129 CO 0.02 1.38 0.32 0.06 0.09 0.00 0.00 178.44 180.32 3mcf h GLN 130 N 0.06 0.51 0.65 1.13 3.07 -1.16 0.23 115.11 119.58 3mcf h GLN 130 Ca -0.23 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.45 3mcf h GLN 130 Cb 1.99 -0.11 0.01 0.00 0.08 0.00 0.00 27.48 29.45 3mcf h GLN 130 CO 0.15 0.34 -0.31 0.00 0.09 0.00 0.00 178.83 179.09 3mcf n HIS 132 N -5.38 0.00 -2.95 0.00 8.25 -1.19 -4.57 115.22 109.39 3mcf n HIS 132 Ca -0.12 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.13 3mcf n HIS 132 Cb 0.36 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 3mcf n HIS 132 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mcf n LYS 133 N -1.91 2.10 -0.09 -0.41 4.76 0.79 -4.93 118.16 118.46 3mcf n LYS 133 Ca -0.01 -4.03 0.19 0.00 -2.87 0.00 0.00 58.31 51.58 3mcf n LYS 133 Cb 0.44 -1.90 0.60 0.00 -1.84 0.00 0.00 35.03 32.33 3mcf n LYS 133 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3mcf h PRO 134 N 2.94 0.19 -0.36 1.97 0.13 -1.56 0.90 132.00 136.21 3mcf h PRO 134 Ca 0.11 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.13 3mcf h PRO 134 Cb 0.82 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3mcf h PRO 134 CO 0.66 0.13 -0.16 0.28 -0.23 0.00 0.00 178.00 178.67 3mcf h VAL 135 N 0.20 1.28 -0.60 1.56 2.07 -1.90 -1.34 116.25 117.52 3mcf h VAL 135 Ca 0.32 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.62 3mcf h VAL 135 Cb 0.99 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 3mcf h VAL 135 CO -0.06 0.42 0.31 0.45 0.02 0.00 0.00 177.57 178.71 3mcf h HIS 136 N 0.54 0.56 -0.67 1.57 3.86 -1.21 0.06 115.15 119.86 3mcf h HIS 136 Ca 0.08 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 3mcf h HIS 136 Cb 0.70 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 3mcf h HIS 136 CO 0.06 0.25 0.44 0.00 0.86 0.00 0.00 177.93 179.54 3mcf h ALA 137 N 1.33 1.68 -0.74 2.45 0.00 -1.07 -1.24 119.26 121.68 3mcf h ALA 137 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3mcf h ALA 137 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3mcf h ALA 137 CO -0.19 0.23 0.38 0.93 0.00 0.00 0.00 179.25 180.60 3mcf h GLU 138 N 0.75 1.03 -0.49 0.00 5.08 0.15 -0.32 114.58 120.77 3mcf h GLU 138 Ca 0.28 -0.12 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 3mcf h GLU 138 Cb 0.16 -0.20 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 3mcf h GLU 138 CO -0.08 0.77 -0.05 1.88 -1.00 0.00 0.00 179.01 180.53 3mcf h TYR 139 N 1.03 -0.12 -0.06 4.33 0.05 -0.22 0.17 116.97 122.15 3mcf h TYR 139 Ca 0.26 0.04 -0.15 0.00 0.05 0.00 0.00 58.73 58.93 3mcf h TYR 139 Cb 0.06 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3mcf h TYR 139 CO 0.01 -0.15 -0.63 -0.07 -1.05 0.00 0.00 178.16 176.26 3mcf h LEU 140 N 0.06 0.26 -0.13 3.88 3.38 -1.33 -2.00 115.31 119.44 3mcf h LEU 140 Ca 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mcf h LEU 140 Cb 0.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3mcf h LEU 140 CO -0.45 0.82 0.06 -0.33 0.09 0.00 0.00 178.44 178.64 3mcf h GLU 141 N 0.16 0.19 -0.04 1.13 4.39 -0.30 -2.09 114.58 118.02 3mcf h GLU 141 Ca -0.01 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3mcf h GLU 141 Cb 1.15 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3mcf h GLU 141 CO 0.10 0.24 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.90 3mcf h LYS 142 N 0.09 0.05 -0.39 2.33 3.64 -0.51 -2.06 116.57 119.72 3mcf h LYS 142 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3mcf h LYS 142 Cb 0.11 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3mcf h LYS 142 CO -0.01 0.13 0.19 1.25 -2.27 0.00 0.00 179.45 178.74 3mcf h LEU 143 N 0.05 0.50 0.00 5.20 5.85 -0.90 -3.52 115.31 122.50 3mcf h LEU 143 Ca 0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3mcf h LEU 143 Cb 0.15 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3mcf h LEU 143 CO 0.01 0.48 0.00 0.29 -0.34 0.00 0.00 178.44 178.88