#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3y s PHE 5 N 0.00 1.94 -0.37 1.24 2.99 -1.26 -4.35 117.98 118.16 3f3y s PHE 5 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 56.93 56.21 3f3y s PHE 5 Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 43.02 42.14 3f3y s PHE 5 CO 0.00 0.46 0.89 -1.17 -0.00 0.00 0.00 175.22 175.40 3f3y s LEU 6 N -3.17 4.03 -0.21 -0.37 1.98 0.55 -4.88 118.68 116.61 3f3y s LEU 6 Ca 0.23 0.51 -0.12 0.00 -2.89 0.00 0.00 54.13 51.86 3f3y s LEU 6 Cb -0.04 -3.20 -0.05 0.00 0.66 0.00 0.00 46.19 43.56 3f3y s LEU 6 CO 0.09 -0.84 0.21 0.26 -1.89 0.00 0.00 176.35 174.19 3f3y s TRP 7 N 3.40 3.38 -0.09 5.38 0.52 -1.26 0.13 118.94 130.40 3f3y s TRP 7 Ca 0.36 0.38 -0.04 0.00 0.02 0.00 0.00 56.10 56.83 3f3y s TRP 7 Cb -0.12 -2.29 0.05 0.00 -1.15 0.00 0.00 33.47 29.95 3f3y s TRP 7 CO 0.19 0.15 0.20 0.12 0.02 0.00 0.00 176.95 177.63 3f3y s PHE 8 N 0.79 -0.27 -1.66 -1.98 5.36 -0.59 -4.89 117.98 114.76 3f3y s PHE 8 Ca 0.11 0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 56.61 3f3y s PHE 8 Cb -0.13 -0.06 0.13 0.00 -0.34 0.00 0.00 43.02 42.62 3f3y s PHE 8 CO 0.03 -0.24 0.72 0.39 -1.46 0.00 0.00 175.22 174.67 3f3y n GLU 9 N 4.57 -3.20 -1.23 10.12 -0.58 -1.26 -0.49 120.64 128.57 3f3y n GLU 9 Ca -0.19 0.38 -0.08 0.00 -0.42 0.00 0.00 57.16 56.84 3f3y n GLU 9 Cb 0.51 -5.00 -0.03 0.00 -0.57 0.00 0.00 31.44 26.36 3f3y n GLU 9 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f3y n GLY 10 N -1.52 0.99 3.05 0.62 0.00 -1.26 -5.02 105.19 102.05 3f3y n GLY 10 Ca 0.01 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 3f3y n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f3y s ILE 11 N -2.25 1.36 0.03 -0.61 -1.09 0.35 -4.92 121.20 114.07 3f3y s ILE 11 Ca 0.00 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 57.54 3f3y s ILE 11 Cb 0.00 -1.24 -0.05 0.00 -1.58 0.00 0.00 42.46 39.59 3f3y s ILE 11 CO 0.00 0.41 1.12 0.00 -1.23 0.00 0.00 174.94 175.24 3f3y s ALA 12 N 0.84 3.32 0.20 9.38 0.00 -1.26 -1.54 121.76 132.70 3f3y s ALA 12 Ca -0.10 0.73 0.11 0.00 0.00 0.00 0.00 51.96 52.69 3f3y s ALA 12 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3f3y s ALA 12 CO 0.01 -0.38 -0.21 -0.06 0.00 0.00 0.00 175.76 175.12 3f3y s PHE 13 N 1.09 2.15 0.64 0.00 0.40 0.36 -0.07 117.98 122.55 3f3y s PHE 13 Ca 0.56 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 56.33 3f3y s PHE 13 Cb -0.26 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 3f3y s PHE 13 CO 0.28 0.49 1.05 -2.30 0.70 0.00 0.00 175.22 175.45 3f3y n PRO 14 N 0.07 0.87 -0.02 0.24 -0.02 -1.26 -0.33 135.00 134.55 3f3y n PRO 14 Ca -0.11 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3f3y n PRO 14 Cb 0.57 -2.27 0.49 0.00 -0.02 0.00 0.00 33.50 32.27 3f3y n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3f3y n THR 15 N -1.94 0.04 -4.73 3.45 -2.24 -1.26 -4.18 114.28 103.43 3f3y n THR 15 Ca 0.14 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 3f3y n THR 15 Cb 0.48 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.41 3f3y n THR 15 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3f3y s MET 16 N -1.96 1.35 0.00 -0.78 -1.94 -1.26 -4.80 119.30 109.92 3f3y s MET 16 Ca 0.27 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 3f3y s MET 16 Cb 0.13 -1.27 0.00 0.00 2.01 0.00 0.00 34.83 35.70 3f3y s MET 16 CO 0.21 0.30 0.00 0.41 -0.01 0.00 0.00 175.02 175.93 3f3y n GLY 17 N 2.84 1.32 3.12 -0.03 0.00 -1.26 -5.01 105.19 106.17 3f3y n GLY 17 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3f3y n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f3y s PHE 18 N -3.37 1.20 0.01 1.61 0.40 -1.26 -0.87 117.98 115.70 3f3y s PHE 18 Ca 0.00 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3f3y s PHE 18 Cb 0.00 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 3f3y s PHE 18 CO 0.00 0.01 -0.03 1.03 0.70 0.00 0.00 175.22 176.92 3f3y s ARG 19 N -0.69 0.26 0.24 0.44 0.52 -1.26 -4.96 118.95 113.50 3f3y s ARG 19 Ca 0.03 -0.24 -0.06 0.00 -0.52 0.00 0.00 55.73 54.94 3f3y s ARG 19 Cb -0.06 -0.18 0.23 0.00 0.52 0.00 0.00 34.95 35.45 3f3y s ARG 19 CO 0.00 0.04 1.86 0.77 0.02 0.00 0.00 175.30 178.00 3f3y h SER 20 N 5.71 1.12 -0.11 0.23 0.02 -1.99 -2.24 113.55 116.29 3f3y h SER 20 Ca -0.28 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 3f3y h SER 20 Cb 1.20 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 3f3y h SER 20 CO 0.48 0.90 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.69 3f3y h GLU 21 N 1.26 -0.04 -0.43 3.45 3.07 -2.01 -2.25 114.58 117.63 3f3y h GLU 21 Ca 0.32 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.25 3f3y h GLU 21 Cb 0.02 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.88 3f3y h GLU 21 CO -0.05 -0.03 0.09 1.15 -1.40 0.00 0.00 179.01 178.78 3f3y h THR 22 N -0.04 0.78 -0.35 1.13 2.02 -1.89 -2.80 112.91 111.76 3f3y h THR 22 Ca 0.06 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3f3y h THR 22 Cb 0.13 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3f3y h THR 22 CO -0.13 0.04 0.14 -0.07 0.37 0.00 0.00 175.52 175.87 3f3y h LEU 23 N 0.23 0.43 -0.26 2.58 3.38 -1.10 0.41 115.31 120.98 3f3y h LEU 23 Ca 0.21 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3f3y h LEU 23 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3f3y h LEU 23 CO -0.27 0.40 0.04 0.03 0.09 0.00 0.00 178.44 178.73 3f3y h ARG 24 N 0.49 0.44 -0.04 1.13 3.08 -1.26 -2.89 114.38 115.32 3f3y h ARG 24 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3f3y h ARG 24 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3f3y h ARG 24 CO -0.01 0.56 -0.01 0.87 -1.07 0.00 0.00 179.97 180.31 3f3y h LYS 25 N 0.25 0.07 -0.69 0.04 1.57 -1.04 0.54 116.57 117.30 3f3y h LYS 25 Ca 0.08 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3f3y h LYS 25 Cb 0.34 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.55 3f3y h LYS 25 CO 0.01 0.40 -0.34 0.28 -0.57 0.00 0.00 179.45 179.22 3f3y n VAL 26 N -4.87 -0.42 -0.05 0.50 0.31 0.13 0.12 118.33 114.06 3f3y n VAL 26 Ca -0.07 1.65 -0.14 0.00 -0.01 0.00 0.00 64.34 65.77 3f3y n VAL 26 Cb 0.20 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 30.94 3f3y n VAL 26 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3f3y h ARG 27 N 0.00 0.46 0.00 5.55 9.65 -1.25 -3.23 114.38 125.57 3f3y h ARG 27 Ca 0.18 -0.29 -0.20 0.00 -1.10 0.00 0.00 59.98 58.56 3f3y h ARG 27 Cb 0.35 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 3f3y h ARG 27 CO -0.67 0.90 -1.93 -0.25 2.80 0.00 0.00 179.97 180.82 3f3y n ASP 28 N -4.40 0.33 0.00 -3.80 8.00 0.19 0.21 116.55 117.08 3f3y n ASP 28 Ca -0.07 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3f3y n ASP 28 Cb 0.47 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 3f3y n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f3y n GLU 29 N -2.69 2.31 -1.70 -1.24 1.02 0.33 -4.88 120.64 113.80 3f3y n GLU 29 Ca -0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.55 3f3y n GLU 29 Cb 0.90 -0.81 -0.03 0.00 -0.02 0.00 0.00 31.44 31.48 3f3y n GLU 29 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f3y n PHE 30 N -1.02 2.66 -3.21 -0.32 7.35 0.03 -4.96 117.46 117.99 3f3y n PHE 30 Ca 0.00 -0.11 -0.39 0.00 -0.76 0.00 0.00 57.45 56.19 3f3y n PHE 30 Cb 0.05 -2.72 -0.06 0.00 0.35 0.00 0.00 39.48 37.10 3f3y n PHE 30 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3f3y s VAL 31 N 2.36 5.09 -0.14 -2.13 1.01 -1.26 -4.41 120.40 120.92 3f3y s VAL 31 Ca 0.80 1.06 -0.13 0.00 0.00 0.00 0.00 61.98 63.72 3f3y s VAL 31 Cb -0.49 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 3f3y s VAL 31 CO 0.36 0.20 0.27 -0.63 0.00 0.00 0.00 175.10 175.29 3f3y s ILE 32 N 1.43 5.31 0.12 2.22 -1.09 -1.26 -5.04 121.20 122.89 3f3y s ILE 32 Ca 0.27 0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 59.18 3f3y s ILE 32 Cb -0.16 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3f3y s ILE 32 CO 0.11 0.44 0.29 -0.13 -1.23 0.00 0.00 174.94 174.42 3f3y s ARG 33 N 0.14 3.49 0.64 2.79 0.52 -1.26 -4.85 118.95 120.43 3f3y s ARG 33 Ca 0.16 -0.38 0.31 0.00 -0.52 0.00 0.00 55.73 55.31 3f3y s ARG 33 Cb -0.13 -2.95 1.69 0.00 0.52 0.00 0.00 34.95 34.09 3f3y s ARG 33 CO 0.04 0.52 1.99 -0.44 0.02 0.00 0.00 175.30 177.43 3f3y h ASP 34 N 2.63 0.00 0.08 0.23 3.32 -1.96 -2.82 116.42 117.90 3f3y h ASP 34 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3f3y h ASP 34 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3f3y h ASP 34 CO 0.72 0.00 -0.57 -0.62 -1.72 0.00 0.00 179.24 177.05 3f3y n GLU 35 N -3.17 0.73 -1.83 3.56 4.71 -1.26 -3.41 120.64 119.98 3f3y n GLU 35 Ca 0.00 -0.57 -0.41 0.00 -0.01 0.00 0.00 57.16 56.17 3f3y n GLU 35 Cb 0.39 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.32 3f3y n GLU 35 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3f3y s ASP 36 N -2.66 6.41 -0.16 1.62 -0.00 -1.06 -4.39 116.67 116.43 3f3y s ASP 36 Ca 0.16 2.93 -0.02 0.00 -0.00 0.00 0.00 52.55 55.63 3f3y s ASP 36 Cb 0.18 -2.64 -0.01 0.00 -0.00 0.00 0.00 42.92 40.44 3f3y s ASP 36 CO 0.65 -0.86 -0.09 -0.69 -0.00 0.00 0.00 175.17 174.17 3f3y s VAL 37 N -0.32 3.28 -0.07 -1.27 1.01 -0.13 -1.78 120.40 121.12 3f3y s VAL 37 Ca 0.60 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.03 3f3y s VAL 37 Cb -0.46 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3f3y s VAL 37 CO 0.51 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 175.35 3f3y s ILE 38 N 0.66 1.16 -0.16 2.22 1.01 -0.35 -1.51 121.20 124.24 3f3y s ILE 38 Ca -0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 3f3y s ILE 38 Cb -0.15 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3f3y s ILE 38 CO 0.02 0.36 0.49 -0.63 0.00 0.00 0.00 174.94 175.19 3f3y s ILE 39 N 0.78 5.15 -0.21 2.92 1.01 0.12 0.30 121.20 131.27 3f3y s ILE 39 Ca -0.12 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 3f3y s ILE 39 Cb -0.15 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 3f3y s ILE 39 CO 0.02 0.25 -0.07 -0.76 0.00 0.00 0.00 174.94 174.38 3f3y s LEU 40 N 1.11 2.76 -0.06 2.97 1.43 0.23 0.03 118.68 127.15 3f3y s LEU 40 Ca 0.25 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 3f3y s LEU 40 Cb -0.15 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3f3y s LEU 40 CO 0.10 -0.01 0.18 0.42 0.23 0.00 0.00 176.35 177.27 3f3y s THR 41 N 1.40 0.01 0.20 5.49 -4.23 -0.89 -1.62 115.64 116.00 3f3y s THR 41 Ca 0.05 -0.09 -0.31 0.00 -1.18 0.00 0.00 61.69 60.16 3f3y s THR 41 Cb -0.14 -0.29 -0.10 0.00 1.34 0.00 0.00 72.50 73.31 3f3y s THR 41 CO -0.05 -0.05 1.44 -0.47 -0.54 0.00 0.00 174.62 174.95 3f3y s TYR 42 N -0.11 3.10 0.36 3.99 5.04 -1.26 -4.07 117.35 124.40 3f3y s TYR 42 Ca -0.02 0.96 -0.25 0.00 -2.44 0.00 0.00 57.07 55.32 3f3y s TYR 42 Cb -0.02 -3.79 -0.13 0.00 0.35 0.00 0.00 41.96 38.37 3f3y s TYR 42 CO 0.00 -2.67 0.78 -2.30 -1.34 0.00 0.00 175.55 170.03 3f3y n PRO 43 N 2.95 0.91 -2.05 4.97 -0.02 -1.26 -2.43 135.00 138.06 3f3y n PRO 43 Ca 0.09 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 3f3y n PRO 43 Cb 0.41 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 3f3y n PRO 43 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3f3y n LYS 44 N 0.57 -0.85 -0.21 -0.52 4.76 -1.26 -4.91 118.16 115.74 3f3y n LYS 44 Ca 0.11 0.59 0.12 0.00 -2.87 0.00 0.00 58.31 56.26 3f3y n LYS 44 Cb 0.36 -4.67 0.22 0.00 -1.84 0.00 0.00 35.03 29.09 3f3y n LYS 44 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3f3y n SER 45 N -0.03 3.49 -0.01 4.39 7.64 -1.02 -4.61 113.62 123.47 3f3y n SER 45 Ca -0.13 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3f3y n SER 45 Cb 0.56 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3f3y n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f3y n GLY 46 N 1.48 1.58 0.22 0.23 0.00 -1.26 -4.68 105.19 102.77 3f3y n GLY 46 Ca 0.19 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3f3y n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f3y h THR 47 N 0.00 0.56 -0.74 2.61 2.02 -1.92 -2.58 112.91 112.87 3f3y h THR 47 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3f3y h THR 47 Cb 0.09 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3f3y h THR 47 CO 0.00 0.00 0.27 0.78 0.37 0.00 0.00 175.52 176.94 3f3y h ASN 48 N -0.30 1.03 -0.04 4.18 4.21 -1.99 -1.60 115.58 121.07 3f3y h ASN 48 Ca 0.05 -0.17 0.03 0.00 1.21 0.00 0.00 56.30 57.42 3f3y h ASN 48 Cb 0.37 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.26 3f3y h ASN 48 CO -0.16 0.94 -0.16 -0.25 -1.29 0.00 0.00 177.43 176.50 3f3y h TRP 49 N 1.08 -0.41 -0.48 1.19 7.01 -1.96 -0.80 115.95 121.59 3f3y h TRP 49 Ca 0.24 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.13 3f3y h TRP 49 Cb 0.25 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3f3y h TRP 49 CO 0.02 -0.23 -0.22 1.25 -2.79 0.00 0.00 178.44 176.47 3f3y h LEU 50 N -0.25 1.02 -0.24 0.65 5.85 -1.38 -1.00 115.31 119.97 3f3y h LEU 50 Ca 0.06 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.45 3f3y h LEU 50 Cb 0.33 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3f3y h LEU 50 CO -0.18 1.19 -0.25 0.00 -0.34 0.00 0.00 178.44 178.86 3f3y h ALA 51 N 0.86 -0.15 -0.36 1.25 0.00 -1.18 0.59 119.26 120.27 3f3y h ALA 51 Ca 0.11 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3f3y h ALA 51 Cb 0.80 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3f3y h ALA 51 CO 0.07 -0.68 0.08 1.49 0.00 0.00 0.00 179.25 180.21 3f3y h GLU 52 N -0.26 0.20 -0.35 0.00 4.57 -0.82 0.14 114.58 118.06 3f3y h GLU 52 Ca 0.13 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 3f3y h GLU 52 Cb 0.47 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 3f3y h GLU 52 CO -0.38 0.13 0.08 0.82 -1.18 0.00 0.00 179.01 178.48 3f3y h ILE 53 N 0.20 0.84 -0.18 2.32 2.04 -0.79 -1.76 117.51 120.18 3f3y h ILE 53 Ca 0.17 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3f3y h ILE 53 Cb 0.19 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3f3y h ILE 53 CO -0.22 0.04 0.09 -0.07 0.00 0.00 0.00 178.15 177.98 3f3y h LEU 54 N 0.21 0.24 -1.17 1.44 3.38 0.58 0.83 115.31 120.81 3f3y h LEU 54 Ca 0.17 -0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.23 3f3y h LEU 54 Cb 0.18 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 3f3y h LEU 54 CO -0.21 0.30 0.62 0.00 0.09 0.00 0.00 178.44 179.24 3f3y h LEU 56 N 0.60 0.39 -1.42 0.00 3.38 -0.31 -2.81 115.31 115.13 3f3y h LEU 56 Ca 0.57 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3f3y h LEU 56 Cb 1.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3f3y h LEU 56 CO -0.34 1.34 -0.11 0.24 0.09 0.00 0.00 178.44 179.66 3f3y h MET 57 N 0.07 0.24 0.00 1.13 2.86 -0.66 0.03 114.93 118.60 3f3y h MET 57 Ca -0.14 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 3f3y h MET 57 Cb 1.97 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.58 3f3y h MET 57 CO 0.19 0.37 -0.38 1.25 1.06 0.00 0.00 176.91 179.40 3f3y h HIS 58 N 0.23 0.00 -0.33 -0.22 -0.00 -1.46 -2.93 115.15 110.45 3f3y h HIS 58 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3f3y h HIS 58 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3f3y h HIS 58 CO 0.01 0.38 0.00 -1.13 -0.00 0.00 0.00 177.93 177.19 3f3y n SER 59 N -3.52 3.52 -2.28 3.26 3.41 -1.02 -4.98 113.62 112.01 3f3y n SER 59 Ca -0.00 -2.50 -0.16 0.00 -0.26 0.00 0.00 58.87 55.94 3f3y n SER 59 Cb 0.52 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3f3y n SER 59 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3f3y n LYS 60 N 0.10 -1.88 0.00 4.33 5.02 -0.32 -1.17 118.16 124.23 3f3y n LYS 60 Ca 0.17 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 3f3y n LYS 60 Cb 0.68 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 3f3y n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f3y n GLY 61 N -0.82 3.21 3.67 0.72 0.00 -0.15 -4.58 105.19 107.24 3f3y n GLY 61 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3f3y n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f3y s ASP 62 N -1.17 6.55 0.00 1.61 -1.08 -0.32 -4.62 116.67 117.65 3f3y s ASP 62 Ca 0.00 2.50 0.13 0.00 -0.52 0.00 0.00 52.55 54.67 3f3y s ASP 62 Cb 0.00 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.48 3f3y s ASP 62 CO 0.00 -0.96 1.40 0.00 0.52 0.00 0.00 175.17 176.13 3f3y n ALA 63 N 6.66 2.52 -0.17 3.66 0.00 -1.26 -4.42 120.51 127.50 3f3y n ALA 63 Ca 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 3f3y n ALA 63 Cb 0.41 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.83 3f3y n ALA 63 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3f3y h LYS 64 N 1.19 0.08 0.13 0.00 3.64 -1.96 -2.01 116.57 117.63 3f3y h LYS 64 Ca 0.00 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 3f3y h LYS 64 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3f3y h LYS 64 CO 0.00 0.05 -1.76 -1.49 -2.27 0.00 0.00 179.45 173.98 3f3y h TRP 65 N 0.08 0.50 -0.10 1.91 6.55 -1.98 -3.14 115.95 119.77 3f3y h TRP 65 Ca 0.27 -0.37 0.03 0.00 0.95 0.00 0.00 58.89 59.77 3f3y h TRP 65 Cb 0.41 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.69 3f3y h TRP 65 CO -0.36 1.56 0.13 -0.84 -1.05 0.00 0.00 178.44 177.88 3f3y h ILE 66 N 0.08 0.41 -0.01 1.49 3.07 -1.83 0.63 117.51 121.35 3f3y h ILE 66 Ca -0.33 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.08 3f3y h ILE 66 Cb 2.05 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3f3y h ILE 66 CO 0.14 0.00 -0.43 0.00 -1.05 0.00 0.00 178.15 176.81 3f3y n GLN 67 N -3.68 0.59 0.00 0.16 6.02 -0.76 -4.33 117.38 115.38 3f3y n GLN 67 Ca -0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 3f3y n GLN 67 Cb 0.23 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3f3y n GLN 67 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3f3y n SER 68 N -0.86 3.84 -4.36 1.08 3.41 -0.91 -4.76 113.62 111.06 3f3y n SER 68 Ca 0.09 -0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 3f3y n SER 68 Cb 0.36 0.91 -0.14 0.00 -0.26 0.00 0.00 64.21 65.09 3f3y n SER 68 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3f3y s VAL 69 N -1.68 3.19 0.58 -3.33 1.01 0.17 -5.08 120.40 115.26 3f3y s VAL 69 Ca 0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 3f3y s VAL 69 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3f3y s VAL 69 CO 0.00 0.49 1.17 -2.65 0.00 0.00 0.00 175.10 174.11 3f3y n PRO 70 N 3.91 1.24 0.18 2.72 -0.02 -1.26 -4.71 135.00 137.05 3f3y n PRO 70 Ca -0.18 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 61.79 3f3y n PRO 70 Cb 0.52 -2.37 0.38 0.00 -0.02 0.00 0.00 33.50 32.01 3f3y n PRO 70 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3f3y h ILE 71 N 0.88 1.23 0.00 4.25 2.10 -1.74 -0.43 117.51 123.80 3f3y h ILE 71 Ca -0.49 -1.11 0.00 0.00 1.08 0.00 0.00 64.86 64.34 3f3y h ILE 71 Cb 1.34 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 38.63 3f3y h ILE 71 CO 0.54 0.32 0.00 -2.67 -1.08 0.00 0.00 178.15 175.26 3f3y n TRP 72 N -4.16 0.67 0.24 2.19 2.14 -1.26 -1.56 117.44 115.71 3f3y n TRP 72 Ca -0.02 0.21 0.11 0.00 2.07 0.00 0.00 57.50 59.87 3f3y n TRP 72 Cb 0.36 -0.84 -0.03 0.00 -0.81 0.00 0.00 31.31 30.00 3f3y n TRP 72 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3f3y n GLU 73 N -2.06 0.50 0.04 -2.67 1.02 -0.24 -2.51 120.64 114.72 3f3y n GLU 73 Ca 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 3f3y n GLU 73 Cb 0.37 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 3f3y n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f3y h ARG 74 N 0.00 0.00 -2.13 3.49 3.08 -1.12 -3.41 114.38 114.29 3f3y h ARG 74 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 3f3y h ARG 74 Cb 0.90 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.62 3f3y h ARG 74 CO 0.00 0.50 -0.80 0.45 -1.07 0.00 0.00 179.97 179.05 3f3y s SER 75 N -6.13 1.41 0.75 7.04 0.15 -0.60 -4.63 113.70 111.69 3f3y s SER 75 Ca -0.02 -2.20 -0.15 0.00 0.70 0.00 0.00 55.95 54.28 3f3y s SER 75 Cb 0.08 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.61 3f3y s SER 75 CO 0.81 -0.22 1.24 -2.84 1.20 0.00 0.00 173.24 173.42 3f3y s PRO 76 N 0.86 1.98 -0.27 5.44 0.02 -1.04 -4.29 135.00 137.70 3f3y s PRO 76 Ca 0.23 1.86 -0.22 0.00 0.02 0.00 0.00 61.00 62.89 3f3y s PRO 76 Cb -0.10 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3f3y s PRO 76 CO -0.07 -1.98 0.74 -1.58 -0.33 0.00 0.00 177.00 173.77 3f3y s TRP 77 N -1.88 3.26 0.30 6.54 0.51 -1.26 -0.14 118.94 126.27 3f3y s TRP 77 Ca 0.76 0.88 0.05 0.00 -2.12 0.00 0.00 56.10 55.67 3f3y s TRP 77 Cb -0.32 -3.04 0.49 0.00 -0.81 0.00 0.00 33.47 29.80 3f3y s TRP 77 CO 0.46 -0.44 1.76 -0.24 -0.51 0.00 0.00 176.95 177.98 3f3y h VAL 78 N 5.49 1.26 0.00 4.03 3.04 -1.76 -1.73 116.25 126.58 3f3y h VAL 78 Ca -0.25 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 3f3y h VAL 78 Cb 1.11 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3f3y h VAL 78 CO 0.84 0.38 0.00 1.05 -1.01 0.00 0.00 177.57 178.83 3f3y h GLU 79 N 0.35 0.00 -7.11 4.17 9.09 -1.92 -3.09 114.58 116.08 3f3y h GLU 79 Ca 0.05 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 58.99 3f3y h GLU 79 Cb 0.63 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.76 3f3y h GLU 79 CO 0.04 0.00 0.38 -1.54 0.05 0.00 0.00 179.01 177.95 3f3y s SER 80 N -5.46 6.28 0.11 3.06 1.04 -0.65 -4.72 113.70 113.36 3f3y s SER 80 Ca 0.03 1.87 -0.34 0.00 0.48 0.00 0.00 55.95 57.99 3f3y s SER 80 Cb 0.09 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.52 3f3y s SER 80 CO 0.53 -0.83 1.55 -0.08 0.98 0.00 0.00 173.24 175.40 3f3y h GLU 81 N 1.30 -0.59 -0.82 4.02 4.57 -1.30 0.15 114.58 121.91 3f3y h GLU 81 Ca -0.49 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3f3y h GLU 81 Cb 1.22 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.90 3f3y h GLU 81 CO 0.59 -0.39 0.46 0.82 -1.18 0.00 0.00 179.01 179.31 3f3y h ILE 82 N -0.61 1.24 -0.04 2.32 5.03 -1.90 -2.87 117.51 120.68 3f3y h ILE 82 Ca 0.03 -0.59 -0.01 0.00 -0.12 0.00 0.00 64.86 64.17 3f3y h ILE 82 Cb 0.69 0.13 -0.00 0.00 -3.03 0.00 0.00 36.82 34.61 3f3y h ILE 82 CO -0.41 0.27 -0.00 1.23 -0.68 0.00 0.00 178.15 178.55 3f3y h GLY 83 N 1.14 0.08 0.04 5.37 0.00 -1.60 -1.76 103.07 106.35 3f3y h GLY 83 Ca 0.29 -0.06 0.18 0.00 0.00 0.00 0.00 47.33 47.74 3f3y h GLY 83 CO -0.05 0.06 0.45 -1.82 0.00 0.00 0.00 176.54 175.18 3f3y h TYR 84 N -0.23 0.78 -0.02 5.60 3.20 -0.88 -1.51 116.97 123.91 3f3y h TYR 84 Ca 0.01 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3f3y h TYR 84 Cb 0.34 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3f3y h TYR 84 CO 0.04 0.10 -0.11 1.15 -1.64 0.00 0.00 178.16 177.69 3f3y h THR 85 N 0.56 1.51 -0.82 1.81 2.02 -1.35 -3.25 112.91 113.38 3f3y h THR 85 Ca 0.52 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 3f3y h THR 85 Cb 0.86 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 3f3y h THR 85 CO -0.43 0.45 0.51 0.00 0.37 0.00 0.00 175.52 176.41 3f3y h ALA 86 N 0.35 1.04 -0.54 6.16 0.00 -1.19 -3.18 119.26 121.91 3f3y h ALA 86 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3f3y h ALA 86 Cb 0.79 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3f3y h ALA 86 CO 0.02 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.84 3f3y h LEU 87 N 1.12 0.80 -0.99 0.00 3.38 -1.36 -1.69 115.31 116.57 3f3y h LEU 87 Ca 0.30 -0.22 0.30 0.00 0.09 0.00 0.00 57.88 58.35 3f3y h LEU 87 Cb -0.07 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 40.32 3f3y h LEU 87 CO -0.06 0.80 0.54 0.28 0.09 0.00 0.00 178.44 180.09 3f3y h SER 88 N 0.75 0.48 -0.50 -0.43 0.02 -1.58 -1.75 113.55 110.53 3f3y h SER 88 Ca 0.17 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3f3y h SER 88 Cb 0.30 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3f3y h SER 88 CO -0.00 -0.11 0.00 -0.62 -1.14 0.00 0.00 176.83 174.95 3f3y n GLU 89 N -5.05 3.84 -4.52 3.45 -0.58 -0.65 -4.91 120.64 112.21 3f3y n GLU 89 Ca 0.30 -2.49 -0.33 0.00 -0.42 0.00 0.00 57.16 54.22 3f3y n GLU 89 Cb 0.93 -2.00 -0.13 0.00 -0.57 0.00 0.00 31.44 29.66 3f3y n GLU 89 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3f3y s THR 90 N -2.20 3.47 0.54 2.62 2.01 -0.66 -5.07 115.64 116.36 3f3y s THR 90 Ca 0.44 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 3f3y s THR 90 Cb 0.31 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3f3y s THR 90 CO 0.16 0.50 1.26 -1.61 -0.69 0.00 0.00 174.62 174.24 3f3y s GLU 91 N 0.47 3.21 0.77 4.92 2.02 -1.26 -4.93 118.70 123.90 3f3y s GLU 91 Ca -0.06 1.99 -0.13 0.00 0.02 0.00 0.00 54.97 56.79 3f3y s GLU 91 Cb -0.15 -2.17 0.06 0.00 0.10 0.00 0.00 34.13 31.97 3f3y s GLU 91 CO 0.04 -1.06 1.15 -1.12 0.02 0.00 0.00 175.26 174.29 3f3y s SER 92 N -1.27 4.14 -0.03 -0.19 0.01 -1.26 -4.15 113.70 110.96 3f3y s SER 92 Ca 0.72 2.12 -0.30 0.00 1.31 0.00 0.00 55.95 59.80 3f3y s SER 92 Cb -0.34 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.28 3f3y s SER 92 CO 0.40 -2.29 1.30 -2.16 0.41 0.00 0.00 173.24 170.90 3f3y s PRO 93 N -4.36 4.32 0.03 12.44 0.04 -1.26 -5.14 135.00 141.07 3f3y s PRO 93 Ca 0.68 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 3f3y s PRO 93 Cb -0.23 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 3f3y s PRO 93 CO 0.50 -0.51 0.85 1.03 0.04 0.00 0.00 177.00 178.91 3f3y s ARG 94 N 2.30 4.55 -0.10 4.56 0.52 -1.26 -4.98 118.95 124.53 3f3y s ARG 94 Ca 0.60 1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 57.00 3f3y s ARG 94 Cb -0.28 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 3f3y s ARG 94 CO 0.24 0.14 -0.03 -1.17 0.02 0.00 0.00 175.30 174.51 3f3y s LEU 95 N 0.39 3.39 0.27 2.53 2.96 -1.26 -0.95 118.68 126.01 3f3y s LEU 95 Ca 0.44 0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.21 3f3y s LEU 95 Cb -0.21 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3f3y s LEU 95 CO 0.25 0.32 0.61 0.72 -1.32 0.00 0.00 176.35 176.93 3f3y s PHE 96 N -0.52 0.09 0.18 5.38 -0.12 -0.57 -4.28 117.98 118.14 3f3y s PHE 96 Ca 0.08 -0.50 0.08 0.00 -0.05 0.00 0.00 56.93 56.54 3f3y s PHE 96 Cb -0.12 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 3f3y s PHE 96 CO 0.02 -1.14 -0.02 -1.12 -0.05 0.00 0.00 175.22 172.92 3f3y s SER 97 N -2.97 4.65 -0.21 1.98 0.01 0.80 0.11 113.70 118.07 3f3y s SER 97 Ca 0.17 -0.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.78 3f3y s SER 97 Cb -0.03 -0.94 0.05 0.00 0.21 0.00 0.00 66.02 65.31 3f3y s SER 97 CO 0.08 0.08 0.55 -0.55 0.41 0.00 0.00 173.24 173.82 3f3y s SER 98 N -3.00 -0.58 0.00 2.44 0.15 0.10 -2.32 113.70 110.49 3f3y s SER 98 Ca 0.27 1.12 0.22 0.00 0.70 0.00 0.00 55.95 58.27 3f3y s SER 98 Cb -0.09 1.13 0.61 0.00 -1.71 0.00 0.00 66.02 65.96 3f3y s SER 98 CO 0.18 -0.19 1.51 1.41 1.20 0.00 0.00 173.24 177.35 3f3y n HIS 99 N 2.85 0.91 -2.05 3.44 8.25 -1.26 -2.10 115.22 125.26 3f3y n HIS 99 Ca -0.14 -0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 3f3y n HIS 99 Cb 0.56 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 3f3y n HIS 99 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3f3y s LEU 100 N -1.05 4.37 0.88 2.41 1.43 -1.26 -4.75 118.68 120.70 3f3y s LEU 100 Ca 0.47 2.49 -0.10 0.00 -1.03 0.00 0.00 54.13 55.96 3f3y s LEU 100 Cb 0.25 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 43.00 3f3y s LEU 100 CO 0.33 -0.73 1.14 -2.16 0.23 0.00 0.00 176.35 175.15 3f3y s PRO 101 N 0.98 1.29 0.31 1.29 0.04 -1.26 -4.81 135.00 132.85 3f3y s PRO 101 Ca 0.67 1.48 0.04 0.00 0.04 0.00 0.00 61.00 63.22 3f3y s PRO 101 Cb -0.40 -1.76 0.64 0.00 0.04 0.00 0.00 34.50 33.02 3f3y s PRO 101 CO 0.32 -2.42 1.87 0.97 0.04 0.00 0.00 177.00 177.78 3f3y h ILE 102 N -1.69 0.93 0.00 0.56 2.10 -1.86 -1.56 117.51 115.99 3f3y h ILE 102 Ca -0.43 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.20 3f3y h ILE 102 Cb 1.26 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 3f3y h ILE 102 CO 0.44 0.16 0.00 0.06 -1.08 0.00 0.00 178.15 177.73 3f3y h GLN 103 N 0.89 0.00 -0.01 2.19 -0.00 -1.91 -2.04 115.11 114.24 3f3y h GLN 103 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.10 3f3y h GLN 103 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.98 3f3y h GLN 103 CO -0.21 0.00 -0.49 1.28 -0.00 0.00 0.00 178.83 179.40 3f3y n LEU 104 N -2.33 1.35 -4.75 0.06 4.77 -0.59 -5.01 117.00 110.49 3f3y n LEU 104 Ca 0.04 -0.46 -0.40 0.00 -0.03 0.00 0.00 56.01 55.15 3f3y n LEU 104 Cb 0.33 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3f3y n LEU 104 CO 0.25 0.27 0.69 0.12 -1.33 0.00 0.00 177.39 177.38 3f3y s PHE 105 N -2.63 3.87 -0.35 -1.77 5.36 -0.77 -4.21 117.98 117.48 3f3y s PHE 105 Ca 0.18 1.85 -0.32 0.00 -0.96 0.00 0.00 56.93 57.68 3f3y s PHE 105 Cb 0.18 -3.06 -0.14 0.00 -0.34 0.00 0.00 43.02 39.66 3f3y s PHE 105 CO 0.62 0.19 1.26 -2.30 -1.46 0.00 0.00 175.22 173.53 3f3y n PRO 106 N 1.66 0.00 -0.36 10.12 -0.02 -1.25 -4.74 135.00 140.41 3f3y n PRO 106 Ca -0.01 0.00 0.27 0.00 -2.02 0.00 0.00 63.50 61.74 3f3y n PRO 106 Cb 0.47 -1.04 0.54 0.00 -0.02 0.00 0.00 33.50 33.45 3f3y n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3f3y h LYS 107 N 4.58 0.30 -0.59 -0.52 6.56 -0.46 -2.04 116.57 124.39 3f3y h LYS 107 Ca -0.21 -0.02 0.11 0.00 -1.06 0.00 0.00 60.65 59.47 3f3y h LYS 107 Cb 0.97 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.52 3f3y h LYS 107 CO 0.71 0.20 0.40 1.03 -2.06 0.00 0.00 179.45 179.73 3f3y h SER 108 N 0.31 0.32 -0.37 0.86 0.87 -1.79 -2.38 113.55 111.38 3f3y h SER 108 Ca 0.67 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 61.26 3f3y h SER 108 Cb 1.81 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.69 3f3y h SER 108 CO -0.36 0.19 0.24 0.15 -0.53 0.00 0.00 176.83 176.52 3f3y h PHE 109 N 0.35 0.40 0.00 2.24 3.57 -1.69 -2.98 116.94 118.83 3f3y h PHE 109 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3f3y h PHE 109 Cb 0.62 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3f3y h PHE 109 CO -0.00 0.24 0.00 1.19 -2.23 0.00 0.00 178.31 177.51 3f3y n PHE 110 N -4.48 0.08 0.57 0.41 3.01 -0.89 -1.52 117.46 114.63 3f3y n PHE 110 Ca 0.03 0.03 0.07 0.00 1.01 0.00 0.00 57.45 58.59 3f3y n PHE 110 Cb 0.12 -0.54 0.06 0.00 -0.01 0.00 0.00 39.48 39.11 3f3y n PHE 110 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3f3y n SER 111 N -1.57 2.14 -4.99 4.37 3.41 -1.13 -5.04 113.62 110.82 3f3y n SER 111 Ca 0.05 -1.57 -0.20 0.00 -0.26 0.00 0.00 58.87 56.90 3f3y n SER 111 Cb 0.27 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3f3y n SER 111 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f3y s SER 112 N -1.14 5.43 0.00 4.04 1.04 -0.58 -5.04 113.70 117.45 3f3y s SER 112 Ca 0.16 -0.15 0.21 0.00 0.48 0.00 0.00 55.95 56.65 3f3y s SER 112 Cb 0.11 -0.82 0.55 0.00 0.10 0.00 0.00 66.02 65.97 3f3y s SER 112 CO 0.17 -0.99 1.47 0.29 0.98 0.00 0.00 173.24 175.16 3f3y n LYS 113 N -2.16 2.68 -1.68 4.02 5.02 -1.26 -5.01 118.16 119.77 3f3y n LYS 113 Ca 0.08 -2.50 -0.42 0.00 -2.02 0.00 0.00 58.31 53.45 3f3y n LYS 113 Cb 0.59 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3f3y n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f3y n ALA 114 N 1.46 0.99 -2.66 7.82 0.00 -1.22 -4.87 120.51 122.03 3f3y n ALA 114 Ca 0.22 0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.60 3f3y n ALA 114 Cb 0.59 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 3f3y n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f3y s LYS 115 N -1.93 4.17 -0.08 0.00 1.02 -0.73 -4.83 119.74 117.35 3f3y s LYS 115 Ca 0.58 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.84 3f3y s LYS 115 Cb -0.57 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.16 3f3y s LYS 115 CO 0.60 -0.09 -0.11 0.14 -0.92 0.00 0.00 175.35 174.98 3f3y s VAL 116 N 1.47 3.35 -0.31 3.17 -7.23 -0.24 -1.21 120.40 119.41 3f3y s VAL 116 Ca 0.20 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 59.72 3f3y s VAL 116 Cb -0.15 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.44 3f3y s VAL 116 CO 0.09 0.57 0.07 -0.63 -0.31 0.00 0.00 175.10 174.89 3f3y s ILE 117 N -0.39 3.76 -0.32 -0.62 1.01 0.15 -0.58 121.20 124.20 3f3y s ILE 117 Ca 0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 3f3y s ILE 117 Cb -0.12 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3f3y s ILE 117 CO 0.02 -0.01 0.32 -0.47 0.00 0.00 0.00 174.94 174.80 3f3y s TYR 118 N 1.44 3.22 -0.25 3.97 5.04 0.46 -0.60 117.35 130.62 3f3y s TYR 118 Ca 0.00 0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.57 3f3y s TYR 118 Cb -0.18 -2.59 -0.03 0.00 0.35 0.00 0.00 41.96 39.51 3f3y s TYR 118 CO 0.02 -0.36 0.10 -1.17 -1.34 0.00 0.00 175.55 172.80 3f3y s LEU 119 N 1.94 3.61 0.27 6.97 2.96 -0.64 -0.18 118.68 133.61 3f3y s LEU 119 Ca 0.11 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 3f3y s LEU 119 Cb -0.17 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3f3y s LEU 119 CO 0.11 -0.01 0.11 0.00 -1.32 0.00 0.00 176.35 175.24 3f3y s MET 120 N 1.51 2.60 0.01 1.98 0.23 -0.13 -4.46 119.30 121.04 3f3y s MET 120 Ca 0.06 -1.27 -0.11 0.00 -1.03 0.00 0.00 55.69 53.35 3f3y s MET 120 Cb -0.15 -2.35 0.01 0.00 -1.53 0.00 0.00 34.83 30.81 3f3y s MET 120 CO 0.05 0.34 0.21 0.50 -2.03 0.00 0.00 175.02 174.09 3f3y s ARG 121 N -3.78 0.61 -0.24 3.16 3.52 -1.26 -0.53 118.95 120.42 3f3y s ARG 121 Ca 0.33 -0.40 -0.38 0.00 -0.13 0.00 0.00 55.73 55.16 3f3y s ARG 121 Cb -0.07 0.26 -0.14 0.00 -1.56 0.00 0.00 34.95 33.45 3f3y s ARG 121 CO 0.23 -0.16 1.86 -1.71 -0.81 0.00 0.00 175.30 174.70 3f3y n ASN 122 N 1.15 2.67 0.30 -2.12 2.85 -1.26 -4.76 115.26 114.09 3f3y n ASN 122 Ca -0.21 0.95 0.16 0.00 -0.11 0.00 0.00 54.58 55.37 3f3y n ASN 122 Cb 0.57 -1.22 0.93 0.00 1.24 0.00 0.00 39.78 41.29 3f3y n ASN 122 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3f3y h PRO 123 N 8.59 0.00 -0.69 1.20 0.13 -1.99 1.05 132.00 140.30 3f3y h PRO 123 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3f3y h PRO 123 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 3f3y h PRO 123 CO 0.97 0.03 0.41 0.00 -0.23 0.00 0.00 178.00 179.18 3f3y h ARG 124 N 0.00 0.95 -0.06 0.86 3.08 -1.99 0.35 114.38 117.57 3f3y h ARG 124 Ca -0.00 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 3f3y h ARG 124 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3f3y h ARG 124 CO 0.00 0.68 -0.67 -0.44 -1.07 0.00 0.00 179.97 178.47 3f3y h ASP 125 N 0.95 0.30 -0.36 7.04 3.32 0.67 -2.62 116.42 125.72 3f3y h ASP 125 Ca 0.25 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3f3y h ASP 125 Cb -0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3f3y h ASP 125 CO -0.04 0.89 -0.07 0.58 -1.72 0.00 0.00 179.24 178.88 3f3y h VAL 126 N 0.18 1.27 -0.17 -1.35 2.07 -0.53 -1.18 116.25 116.55 3f3y h VAL 126 Ca -0.02 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3f3y h VAL 126 Cb 1.21 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3f3y h VAL 126 CO 0.11 0.37 -0.05 0.25 0.02 0.00 0.00 177.57 178.26 3f3y h LEU 127 N 0.48 -0.19 -0.31 2.57 6.46 -0.28 0.12 115.31 124.16 3f3y h LEU 127 Ca 0.09 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3f3y h LEU 127 Cb 0.56 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 3f3y h LEU 127 CO 0.03 -0.07 0.11 0.58 -0.62 0.00 0.00 178.44 178.47 3f3y h VAL 128 N -0.02 1.19 -0.35 1.05 2.07 -1.42 -1.41 116.25 117.37 3f3y h VAL 128 Ca 0.09 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3f3y h VAL 128 Cb 0.15 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3f3y h VAL 128 CO -0.19 0.21 0.21 -1.28 0.02 0.00 0.00 177.57 176.54 3f3y h SER 129 N 0.34 0.34 -0.24 0.57 0.87 -1.00 -2.40 113.55 112.03 3f3y h SER 129 Ca 0.10 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3f3y h SER 129 Cb 0.22 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3f3y h SER 129 CO -0.01 0.25 0.15 1.23 -0.53 0.00 0.00 176.83 177.92 3f3y h GLY 130 N 0.42 0.33 0.02 5.77 0.00 -0.72 -2.09 103.07 106.81 3f3y h GLY 130 Ca 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.41 3f3y h GLY 130 CO -0.06 0.10 -0.32 -1.82 0.00 0.00 0.00 176.54 174.44 3f3y h TYR 131 N 0.30 -0.90 -0.47 5.60 5.03 -0.75 -2.19 116.97 123.59 3f3y h TYR 131 Ca 0.09 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 3f3y h TYR 131 Cb -0.01 0.43 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 3f3y h TYR 131 CO -0.07 -0.39 0.11 0.74 -1.32 0.00 0.00 178.16 177.22 3f3y h PHE 132 N -0.34 0.79 -0.36 -3.82 -1.00 -1.55 -3.34 116.94 107.32 3f3y h PHE 132 Ca 0.12 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3f3y h PHE 132 Cb 0.54 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 3f3y h PHE 132 CO -0.46 0.72 0.23 0.35 -1.61 0.00 0.00 178.31 177.55 3f3y h PHE 133 N 0.63 0.45 0.00 -0.55 3.57 -0.85 -3.08 116.94 117.12 3f3y h PHE 133 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3f3y h PHE 133 Cb 0.34 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3f3y h PHE 133 CO 0.02 0.29 0.00 -1.49 -2.23 0.00 0.00 178.31 174.90 3f3y h TRP 134 N 0.48 0.00 -0.98 0.41 -0.00 -1.54 -3.24 115.95 111.08 3f3y h TRP 134 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 58.89 59.09 3f3y h TRP 134 Cb -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.05 3f3y h TRP 134 CO -0.05 0.00 0.63 0.87 -0.00 0.00 0.00 178.44 179.89 3f3y h LYS 135 N 0.00 1.10 -0.01 0.49 1.57 -1.70 -2.10 116.57 115.92 3f3y h LYS 135 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3f3y h LYS 135 Cb 0.22 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3f3y h LYS 135 CO 0.00 0.73 -0.10 0.09 -0.57 0.00 0.00 179.45 179.59 3f3y n ASN 136 N -4.53 1.31 -4.62 0.86 4.13 -1.22 -4.85 115.26 106.34 3f3y n ASN 136 Ca 0.15 -1.25 -0.39 0.00 1.68 0.00 0.00 54.58 54.77 3f3y n ASN 136 Cb 0.19 0.05 -0.08 0.00 -1.54 0.00 0.00 39.78 38.40 3f3y n ASN 136 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3f3y s MET 137 N -2.21 4.06 0.00 3.52 -1.94 -0.79 0.61 119.30 122.55 3f3y s MET 137 Ca 0.32 0.22 0.31 0.00 -1.71 0.00 0.00 55.69 54.84 3f3y s MET 137 Cb 0.20 -3.64 1.86 0.00 2.01 0.00 0.00 34.83 35.26 3f3y s MET 137 CO 0.41 -0.29 2.19 1.63 -0.01 0.00 0.00 175.02 178.95 3f3y n LYS 138 N 5.36 0.95 -0.14 2.03 4.76 -0.19 -3.30 118.16 127.63 3f3y n LYS 138 Ca -0.06 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.43 3f3y n LYS 138 Cb 0.50 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.25 3f3y n LYS 138 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 3f3y n PHE 139 N -1.02 0.00 -4.55 2.13 -1.74 -1.26 -5.01 117.46 106.01 3f3y n PHE 139 Ca 0.23 -0.56 -0.33 0.00 -0.56 0.00 0.00 57.45 56.22 3f3y n PHE 139 Cb 0.12 -0.09 -0.13 0.00 1.52 0.00 0.00 39.48 40.90 3f3y n PHE 139 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3f3y s ILE 140 N -1.52 3.57 0.14 1.97 1.01 -1.21 -4.30 121.20 120.86 3f3y s ILE 140 Ca 0.14 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 59.98 3f3y s ILE 140 Cb 0.12 -2.54 -0.13 0.00 0.01 0.00 0.00 42.46 39.93 3f3y s ILE 140 CO 0.01 0.51 1.66 0.29 0.00 0.00 0.00 174.94 177.41 3f3y n LYS 141 N 3.46 2.30 -3.88 2.79 4.01 -1.26 -4.98 118.16 120.59 3f3y n LYS 141 Ca -0.18 0.83 -0.36 0.00 -0.51 0.00 0.00 58.31 58.10 3f3y n LYS 141 Cb 0.53 -2.63 -0.08 0.00 -0.51 0.00 0.00 35.03 32.34 3f3y n LYS 141 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3f3y s LYS 142 N 1.47 3.76 0.49 1.97 1.02 -1.26 -5.07 119.74 122.12 3f3y s LYS 142 Ca 0.80 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 56.34 3f3y s LYS 142 Cb -0.64 -3.25 -0.07 0.00 -0.52 0.00 0.00 37.83 33.35 3f3y s LYS 142 CO 0.39 0.52 1.29 -0.35 -0.92 0.00 0.00 175.35 176.27 3f3y n PRO 143 N 2.79 1.77 0.19 -1.68 -0.04 -1.26 -4.93 135.00 131.85 3f3y n PRO 143 Ca -0.18 0.64 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 3f3y n PRO 143 Cb 0.53 -2.46 0.38 0.00 -0.04 0.00 0.00 33.50 31.92 3f3y n PRO 143 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3f3y h LYS 144 N 1.71 0.00 -3.22 0.54 -0.00 -1.98 -3.48 116.57 110.13 3f3y h LYS 144 Ca -0.49 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.18 3f3y h LYS 144 Cb 1.30 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.46 3f3y h LYS 144 CO 0.58 0.36 0.11 -1.54 -0.00 0.00 0.00 179.45 178.96 3f3y s SER 145 N -6.53 -0.22 0.17 7.07 1.04 -1.26 -5.02 113.70 108.96 3f3y s SER 145 Ca -0.01 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 3f3y s SER 145 Cb 0.12 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.98 3f3y s SER 145 CO 0.69 -1.24 1.79 -0.25 0.98 0.00 0.00 173.24 175.20 3f3y h TRP 146 N 2.10 0.77 -0.69 5.02 2.91 -1.99 -2.40 115.95 121.67 3f3y h TRP 146 Ca -0.23 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 59.80 3f3y h TRP 146 Cb 1.25 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.61 3f3y h TRP 146 CO 0.41 0.56 0.44 0.93 -1.03 0.00 0.00 178.44 179.74 3f3y h GLU 147 N 0.76 0.84 -0.12 2.65 3.07 -1.99 0.20 114.58 120.00 3f3y h GLU 147 Ca 0.20 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 3f3y h GLU 147 Cb 0.04 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3f3y h GLU 147 CO -0.03 0.56 -0.01 1.49 -1.40 0.00 0.00 179.01 179.61 3f3y h GLU 148 N 0.87 0.21 -0.78 2.33 4.81 -1.93 -2.33 114.58 117.76 3f3y h GLU 148 Ca 0.27 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3f3y h GLU 148 Cb -0.02 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3f3y h GLU 148 CO -0.09 0.48 0.51 -0.92 -0.73 0.00 0.00 179.01 178.26 3f3y h TYR 149 N -0.08 0.99 -0.19 0.92 3.20 -1.33 0.31 116.97 120.79 3f3y h TYR 149 Ca 0.03 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3f3y h TYR 149 Cb 0.39 -0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 3f3y h TYR 149 CO 0.04 0.63 -0.26 0.35 -1.64 0.00 0.00 178.16 177.28 3f3y h PHE 150 N 1.06 -0.71 -0.47 -3.82 3.57 -0.49 -0.79 116.94 115.30 3f3y h PHE 150 Ca 0.29 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 3f3y h PHE 150 Cb -0.11 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3f3y h PHE 150 CO 0.00 -0.34 -0.18 1.49 -2.23 0.00 0.00 178.31 177.05 3f3y h GLU 151 N -0.30 0.95 -0.61 1.11 4.57 -0.80 -1.33 114.58 118.17 3f3y h GLU 151 Ca 0.12 -0.39 0.12 0.00 -1.18 0.00 0.00 59.36 58.02 3f3y h GLU 151 Cb 0.48 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.95 3f3y h GLU 151 CO -0.36 1.06 0.12 -1.49 -1.18 0.00 0.00 179.01 177.16 3f3y h TRP 152 N 0.79 0.19 -0.31 0.92 4.06 -0.29 -1.87 115.95 119.44 3f3y h TRP 152 Ca 0.11 0.04 -0.10 0.00 2.06 0.00 0.00 58.89 60.99 3f3y h TRP 152 Cb 0.75 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 3f3y h TRP 152 CO 0.05 -0.04 -0.21 0.35 -3.56 0.00 0.00 178.44 175.02 3f3y h PHE 153 N 0.25 0.81 -0.33 0.49 3.57 -0.27 -1.70 116.94 119.76 3f3y h PHE 153 Ca 0.32 -0.22 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3f3y h PHE 153 Cb 0.49 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3f3y h PHE 153 CO -0.26 0.94 -0.01 0.00 -2.23 0.00 0.00 178.31 176.76 3f3y h GLN 155 N 0.50 0.00 0.00 0.00 7.50 -0.99 -3.47 115.11 118.64 3f3y h GLN 155 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 3f3y h GLN 155 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.87 3f3y h GLN 155 CO 0.01 0.59 0.00 0.41 -1.50 0.00 0.00 178.83 178.34 3f3y n GLY 156 N 0.26 0.76 2.50 3.46 0.00 -0.67 -4.90 105.19 106.59 3f3y n GLY 156 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3f3y n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f3y n THR 157 N -2.22 3.35 -4.46 2.61 -2.24 -1.00 -3.26 114.28 107.06 3f3y n THR 157 Ca 0.00 -3.03 -0.22 0.00 -2.27 0.00 0.00 64.05 58.52 3f3y n THR 157 Cb 0.00 -1.60 -0.10 0.00 -2.10 0.00 0.00 70.33 66.53 3f3y n THR 157 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3f3y s VAL 158 N -2.27 1.62 -0.24 2.28 -7.23 -1.26 -4.92 120.40 108.38 3f3y s VAL 158 Ca 0.59 -2.09 -0.42 0.00 -1.81 0.00 0.00 61.98 58.25 3f3y s VAL 158 Cb 0.38 -2.60 -0.19 0.00 0.56 0.00 0.00 36.38 34.53 3f3y s VAL 158 CO -0.23 -0.19 1.28 0.18 -0.31 0.00 0.00 175.10 175.83 3f3y n LEU 159 N -0.66 0.57 0.00 1.32 4.77 -1.26 -0.82 117.00 120.91 3f3y n LEU 159 Ca -0.05 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3f3y n LEU 159 Cb 0.65 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3f3y n LEU 159 CO 0.42 -1.33 0.00 -1.22 -1.33 0.00 0.00 177.39 173.93 3f3y n TYR 160 N 2.62 0.00 -3.32 -1.77 4.02 0.90 -4.89 117.16 114.72 3f3y n TYR 160 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 3f3y n TYR 160 Cb 0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 3f3y n TYR 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f3y n GLY 161 N -2.08 -0.98 3.74 2.72 0.00 -0.00 -4.83 105.19 103.75 3f3y n GLY 161 Ca 0.00 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3f3y n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f3y s SER 162 N -4.00 7.35 0.15 1.61 0.15 -1.20 -4.57 113.70 113.20 3f3y s SER 162 Ca 0.00 2.02 -0.13 0.00 0.70 0.00 0.00 55.95 58.54 3f3y s SER 162 Cb 0.00 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3f3y s SER 162 CO 0.00 -0.14 1.67 -0.25 1.20 0.00 0.00 173.24 175.72 3f3y h TRP 163 N 5.03 0.85 -0.19 3.44 7.01 -1.90 -0.44 115.95 129.75 3f3y h TRP 163 Ca -0.44 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 60.48 3f3y h TRP 163 Cb 1.21 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 3f3y h TRP 163 CO 0.63 0.73 0.10 0.74 -2.79 0.00 0.00 178.44 177.85 3f3y h PHE 164 N 0.71 0.19 0.07 2.65 -1.00 -1.95 -0.36 116.94 117.24 3f3y h PHE 164 Ca 0.17 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 3f3y h PHE 164 Cb 0.29 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3f3y h PHE 164 CO 0.02 0.11 -0.03 -0.44 -1.61 0.00 0.00 178.31 176.35 3f3y h ASP 165 N 0.21 -0.08 -0.73 2.17 3.45 -1.95 -1.57 116.42 117.93 3f3y h ASP 165 Ca 0.08 -0.19 0.16 0.00 0.43 0.00 0.00 57.03 57.50 3f3y h ASP 165 Cb 0.01 0.02 -0.13 0.00 -0.56 0.00 0.00 39.33 38.67 3f3y h ASP 165 CO -0.05 0.15 -0.07 -0.74 -1.57 0.00 0.00 179.24 176.96 3f3y h HIS 166 N -0.30 -0.19 0.26 4.55 2.76 -0.90 -0.18 115.15 121.14 3f3y h HIS 166 Ca -0.01 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3f3y h HIS 166 Cb 0.26 0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.43 3f3y h HIS 166 CO -0.00 -0.27 -0.12 0.82 -1.30 0.00 0.00 177.93 177.06 3f3y h ILE 167 N 0.06 0.80 -0.77 6.26 1.08 -0.93 -3.04 117.51 120.97 3f3y h ILE 167 Ca 0.38 -0.40 0.18 0.00 -0.39 0.00 0.00 64.86 64.62 3f3y h ILE 167 Cb 0.63 1.03 -0.12 0.00 -3.07 0.00 0.00 36.82 35.29 3f3y h ILE 167 CO -0.69 0.09 0.14 0.45 -0.69 0.00 0.00 178.15 177.45 3f3y h HIS 168 N -0.55 0.20 -0.03 1.37 3.86 -0.70 -0.78 115.15 118.52 3f3y h HIS 168 Ca -0.04 0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 3f3y h HIS 168 Cb 0.41 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3f3y h HIS 168 CO -0.00 -0.15 -0.60 0.78 0.86 0.00 0.00 177.93 178.82 3f3y h GLY 169 N 0.21 0.11 0.76 2.45 0.00 -1.08 -3.26 103.07 102.27 3f3y h GLY 169 Ca 0.44 -0.14 -0.21 0.00 0.00 0.00 0.00 47.33 47.42 3f3y h GLY 169 CO -0.58 0.13 -1.66 0.79 0.00 0.00 0.00 176.54 175.22 3f3y n TRP 170 N -3.85 0.77 -0.05 5.60 7.02 -1.00 -4.53 117.44 121.40 3f3y n TRP 170 Ca -0.02 0.26 0.04 0.00 -1.02 0.00 0.00 57.50 56.76 3f3y n TRP 170 Cb 0.61 -1.05 0.39 0.00 -2.42 0.00 0.00 31.31 28.84 3f3y n TRP 170 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 3f3y h MET 171 N 0.00 0.62 -0.09 -0.99 2.86 -1.19 -2.27 114.93 113.86 3f3y h MET 171 Ca -0.23 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 3f3y h MET 171 Cb 1.73 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.24 3f3y h MET 171 CO 0.05 0.41 0.44 -1.35 1.06 0.00 0.00 176.91 177.52 3f3y h PRO 172 N 0.64 0.00 0.00 -0.22 0.11 -1.80 -1.83 132.00 128.90 3f3y h PRO 172 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3f3y h PRO 172 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3f3y h PRO 172 CO -0.04 0.00 0.00 0.52 -0.21 0.00 0.00 178.00 178.27 3f3y h MET 173 N 0.00 0.00 0.00 1.05 2.86 -1.73 -3.35 114.93 113.76 3f3y h MET 173 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3f3y h MET 173 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3f3y h MET 173 CO -0.00 0.00 0.00 2.89 1.06 0.00 0.00 176.91 180.86 3f3y n ARG 174 N -2.56 0.03 -0.27 1.72 1.85 -0.69 -0.20 116.66 116.55 3f3y n ARG 174 Ca 0.03 0.34 0.08 0.00 -1.00 0.00 0.00 57.85 57.29 3f3y n ARG 174 Cb 0.35 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.48 3f3y n ARG 174 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3f3y n GLU 175 N -1.40 2.86 -3.70 2.89 -0.58 -1.26 -4.96 120.64 114.49 3f3y n GLU 175 Ca 0.02 -2.31 -0.34 0.00 -0.42 0.00 0.00 57.16 54.10 3f3y n GLU 175 Cb 0.05 -1.41 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 3f3y n GLU 175 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3f3y s GLU 176 N -1.08 3.64 0.36 3.49 0.41 0.72 -5.02 118.70 121.23 3f3y s GLU 176 Ca 0.33 0.00 0.13 0.00 -0.41 0.00 0.00 54.97 55.03 3f3y s GLU 176 Cb 0.18 -3.04 0.70 0.00 -1.78 0.00 0.00 34.13 30.19 3f3y s GLU 176 CO 0.22 0.61 1.80 -0.22 -0.49 0.00 0.00 175.26 177.18 3f3y h LYS 177 N 3.82 0.00 -0.82 1.61 1.63 -1.93 -2.97 116.57 117.91 3f3y h LYS 177 Ca -0.49 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.09 3f3y h LYS 177 Cb 1.19 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.69 3f3y h LYS 177 CO 0.67 0.40 0.28 0.27 -3.45 0.00 0.00 179.45 177.61 3f3y n ASN 178 N -4.01 4.33 -4.04 4.20 6.94 -1.26 -4.85 115.26 116.58 3f3y n ASN 178 Ca -0.02 -3.07 -0.31 0.00 -0.02 0.00 0.00 54.58 51.16 3f3y n ASN 178 Cb 0.43 -0.72 -0.16 0.00 -2.36 0.00 0.00 39.78 36.97 3f3y n ASN 178 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3f3y s PHE 179 N -2.64 2.27 -0.19 -2.53 5.36 -1.12 -1.08 117.98 118.05 3f3y s PHE 179 Ca 0.47 -1.30 -0.05 0.00 -0.96 0.00 0.00 56.93 55.10 3f3y s PHE 179 Cb 0.38 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.38 3f3y s PHE 179 CO 0.11 -0.69 0.00 -1.17 -1.46 0.00 0.00 175.22 172.01 3f3y s LEU 180 N 1.45 3.32 -0.36 6.12 2.96 0.25 -4.84 118.68 127.58 3f3y s LEU 180 Ca 0.05 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 3f3y s LEU 180 Cb -0.13 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3f3y s LEU 180 CO -0.11 0.09 0.32 -0.22 -1.32 0.00 0.00 176.35 175.11 3f3y s LEU 181 N 0.83 4.61 0.17 -0.68 2.96 -1.26 -0.41 118.68 124.90 3f3y s LEU 181 Ca 0.01 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3f3y s LEU 181 Cb -0.14 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3f3y s LEU 181 CO 0.02 -0.34 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.88 3f3y s LEU 182 N 1.88 3.08 -0.09 -0.68 1.43 0.75 -4.99 118.68 120.06 3f3y s LEU 182 Ca 0.09 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3f3y s LEU 182 Cb -0.17 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3f3y s LEU 182 CO 0.11 0.10 -0.17 -0.94 0.23 0.00 0.00 176.35 175.69 3f3y s SER 183 N -2.83 3.75 0.26 2.29 1.04 -1.26 -0.96 113.70 116.00 3f3y s SER 183 Ca 0.25 -0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 3f3y s SER 183 Cb -0.09 -1.26 0.42 0.00 0.10 0.00 0.00 66.02 65.20 3f3y s SER 183 CO 0.16 0.23 1.59 0.22 0.98 0.00 0.00 173.24 176.41 3f3y h TYR 184 N 6.24 -0.39 -0.85 5.02 3.20 -1.09 -0.05 116.97 129.05 3f3y h TYR 184 Ca -0.31 0.08 0.15 0.00 3.14 0.00 0.00 58.73 61.78 3f3y h TYR 184 Cb 1.19 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 39.68 3f3y h TYR 184 CO 0.48 -0.37 0.43 0.93 -1.64 0.00 0.00 178.16 177.99 3f3y h GLU 185 N 0.01 0.58 0.00 1.82 3.07 -1.96 0.49 114.58 118.59 3f3y h GLU 185 Ca 0.44 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.15 3f3y h GLU 185 Cb 0.70 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3f3y h GLU 185 CO -0.89 0.39 -0.52 1.05 -1.40 0.00 0.00 179.01 177.64 3f3y h GLU 186 N 0.60 0.00 -0.01 2.33 4.11 -1.45 -1.08 114.58 119.09 3f3y h GLU 186 Ca 0.47 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.67 3f3y h GLU 186 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3f3y h GLU 186 CO -0.37 0.52 -0.94 1.25 0.07 0.00 0.00 179.01 179.53 3f3y h LEU 187 N 0.00 0.59 -0.21 3.06 5.85 0.30 -2.00 115.31 122.90 3f3y h LEU 187 Ca -0.01 -0.46 -0.18 0.00 0.84 0.00 0.00 57.88 58.07 3f3y h LEU 187 Cb 1.25 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3f3y h LEU 187 CO 0.07 1.26 -0.56 0.50 -0.34 0.00 0.00 178.44 179.37 3f3y h LYS 188 N 0.26 0.75 0.02 1.25 1.63 0.00 -3.04 116.57 117.44 3f3y h LYS 188 Ca -0.08 -0.52 -0.21 0.00 -0.85 0.00 0.00 60.65 58.99 3f3y h LYS 188 Cb 1.58 0.08 0.02 0.00 -0.60 0.00 0.00 32.23 33.31 3f3y h LYS 188 CO 0.17 1.14 -0.82 0.37 -3.45 0.00 0.00 179.45 176.86 3f3y h GLN 189 N 0.47 0.52 -2.62 1.90 5.75 -1.21 -3.38 115.11 116.54 3f3y h GLN 189 Ca -0.01 -0.58 -0.58 0.00 -0.15 0.00 0.00 58.65 57.32 3f3y h GLN 189 Cb 1.17 0.17 -0.39 0.00 1.07 0.00 0.00 27.48 29.51 3f3y h GLN 189 CO 0.12 1.21 -0.84 0.34 -2.65 0.00 0.00 178.83 177.01 3f3y s ASP 190 N -7.00 2.99 0.18 -0.69 -1.08 -0.75 -5.03 116.67 105.28 3f3y s ASP 190 Ca -0.12 -2.27 -0.14 0.00 -0.52 0.00 0.00 52.55 49.51 3f3y s ASP 190 Cb 0.05 -0.47 0.08 0.00 -1.46 0.00 0.00 42.92 41.12 3f3y s ASP 190 CO 0.87 -0.30 1.83 0.74 0.52 0.00 0.00 175.17 178.82 3f3y h THR 191 N 5.03 1.10 -0.09 1.71 2.02 -1.71 -2.18 112.91 118.79 3f3y h THR 191 Ca 0.06 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3f3y h THR 191 Cb 0.96 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3f3y h THR 191 CO 0.29 0.12 0.00 1.23 0.37 0.00 0.00 175.52 177.54 3f3y h GLY 192 N 0.68 0.17 1.54 2.16 0.00 -1.94 0.21 103.07 105.88 3f3y h GLY 192 Ca 0.20 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.47 3f3y h GLY 192 CO -0.06 0.12 0.18 0.07 0.00 0.00 0.00 176.54 176.84 3f3y h ARG 193 N -0.11 0.08 0.08 4.80 -0.00 -1.95 0.82 114.38 118.09 3f3y h ARG 193 Ca 0.03 -0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.77 3f3y h ARG 193 Cb 0.34 -0.02 0.02 0.00 -0.00 0.00 0.00 29.97 30.32 3f3y h ARG 193 CO 0.00 0.05 -0.95 1.15 -0.00 0.00 0.00 179.97 180.23 3f3y h THR 194 N 0.08 1.37 -0.89 0.08 2.02 -0.91 -2.16 112.91 112.49 3f3y h THR 194 Ca 0.12 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.95 3f3y h THR 194 Cb 0.37 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.48 3f3y h THR 194 CO -0.01 0.69 0.53 0.40 0.37 0.00 0.00 175.52 177.51 3f3y h ILE 195 N 0.05 1.25 -0.60 3.11 2.04 -0.23 -1.08 117.51 122.06 3f3y h ILE 195 Ca -0.14 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.23 3f3y h ILE 195 Cb 1.66 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3f3y h ILE 195 CO 0.18 0.26 0.29 -0.33 0.00 0.00 0.00 178.15 178.56 3f3y h GLU 196 N 1.24 0.52 -0.06 2.37 5.08 -0.81 -1.44 114.58 121.48 3f3y h GLU 196 Ca 0.32 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3f3y h GLU 196 Cb -0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3f3y h GLU 196 CO -0.06 0.35 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.88 3f3y h LYS 197 N 0.54 0.09 -0.09 2.33 3.64 -0.55 -2.19 116.57 120.34 3f3y h LYS 197 Ca 0.28 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3f3y h LYS 197 Cb 0.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3f3y h LYS 197 CO -0.21 0.29 -0.20 0.82 -2.27 0.00 0.00 179.45 177.88 3f3y h ILE 198 N 0.09 1.40 -0.62 2.00 5.03 -0.53 -2.89 117.51 121.98 3f3y h ILE 198 Ca 0.02 -1.50 0.13 0.00 -0.12 0.00 0.00 64.86 63.39 3f3y h ILE 198 Cb 0.41 2.14 -0.11 0.00 -3.03 0.00 0.00 36.82 36.23 3f3y h ILE 198 CO 0.03 0.43 -0.02 0.00 -0.68 0.00 0.00 178.15 177.91 3f3y h GLN 200 N 0.10 0.94 -0.16 0.00 4.20 -1.45 0.21 115.11 118.94 3f3y h GLN 200 Ca 0.32 -0.24 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 3f3y h GLN 200 Cb 0.52 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3f3y h GLN 200 CO -0.55 0.89 -0.68 0.35 -0.67 0.00 0.00 178.83 178.17 3f3y h PHE 201 N 0.88 0.85 -0.01 2.96 3.57 -1.24 -2.92 116.94 121.03 3f3y h PHE 201 Ca 0.17 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3f3y h PHE 201 Cb 0.43 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3f3y h PHE 201 CO 0.03 1.14 0.00 1.28 -2.23 0.00 0.00 178.31 178.53 3f3y n LEU 202 N -3.93 0.73 -2.04 0.59 4.77 0.35 -4.92 117.00 112.54 3f3y n LEU 202 Ca -0.05 -0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 3f3y n LEU 202 Cb 0.69 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3f3y n LEU 202 CO 0.50 0.12 -0.15 0.61 -1.33 0.00 0.00 177.39 177.14 3f3y n GLY 203 N 1.08 -0.30 3.57 -0.72 0.00 0.15 -5.02 105.19 103.95 3f3y n GLY 203 Ca 0.21 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3f3y n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3y s LYS 204 N -5.01 2.08 0.02 1.61 3.01 0.49 -5.02 119.74 116.92 3f3y s LYS 204 Ca 0.07 -1.12 0.08 0.00 -1.01 0.00 0.00 55.97 53.99 3f3y s LYS 204 Cb -0.03 -2.24 -0.02 0.00 -1.01 0.00 0.00 37.83 34.52 3f3y s LYS 204 CO 0.09 0.48 -0.23 0.95 0.51 0.00 0.00 175.35 177.15 3f3y s THR 205 N -1.38 1.82 0.08 2.17 -4.23 -1.26 -4.20 115.64 108.63 3f3y s THR 205 Ca 0.22 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.65 3f3y s THR 205 Cb -0.10 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 3f3y s THR 205 CO 0.14 0.35 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.63 3f3y s LEU 206 N -0.97 2.65 0.43 4.79 1.43 -1.26 -5.13 118.68 120.62 3f3y s LEU 206 Ca 0.09 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 3f3y s LEU 206 Cb -0.09 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.53 3f3y s LEU 206 CO 0.01 0.22 0.85 -1.61 0.23 0.00 0.00 176.35 176.04 3f3y s GLU 207 N -1.78 3.89 0.29 1.70 8.01 -1.26 -4.94 118.70 124.61 3f3y s GLU 207 Ca 0.16 0.69 0.04 0.00 0.01 0.00 0.00 54.97 55.88 3f3y s GLU 207 Cb -0.11 -2.30 0.76 0.00 -4.31 0.00 0.00 34.13 28.17 3f3y s GLU 207 CO 0.08 -0.09 1.69 -1.35 0.01 0.00 0.00 175.26 175.59 3f3y h PRO 208 N 1.30 0.35 0.00 0.39 0.11 -2.01 -1.15 132.00 131.00 3f3y h PRO 208 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3f3y h PRO 208 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3f3y h PRO 208 CO 0.63 0.23 -0.21 0.93 -0.21 0.00 0.00 178.00 179.37 3f3y h GLU 209 N 0.36 0.00 -0.02 1.05 3.07 -1.99 -2.91 114.58 114.15 3f3y h GLU 209 Ca 0.57 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.38 3f3y h GLU 209 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3f3y h GLU 209 CO -0.56 0.21 -0.19 0.93 -1.40 0.00 0.00 179.01 178.01 3f3y h GLU 210 N 0.00 0.17 -0.78 2.33 5.08 -1.47 -2.48 114.58 117.44 3f3y h GLU 210 Ca -0.00 -0.15 0.15 0.00 -1.00 0.00 0.00 59.36 58.36 3f3y h GLU 210 Cb 0.74 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 3f3y h GLU 210 CO 0.03 0.84 0.32 1.25 -1.00 0.00 0.00 179.01 180.44 3f3y h LEU 211 N -0.45 0.29 -0.74 1.33 6.46 -1.46 -0.97 115.31 119.76 3f3y h LEU 211 Ca -0.02 0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 57.74 3f3y h LEU 211 Cb 0.89 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 3f3y h LEU 211 CO 0.04 0.10 -0.32 0.78 -0.62 0.00 0.00 178.44 178.42 3f3y h ASN 212 N 0.45 0.62 -0.71 1.25 2.35 -1.52 0.37 115.58 118.38 3f3y h ASN 212 Ca 0.43 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3f3y h ASN 212 Cb 0.68 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3f3y h ASN 212 CO -0.42 0.90 0.39 -0.07 -1.65 0.00 0.00 177.43 176.58 3f3y h LEU 213 N 0.51 0.89 -0.01 1.61 3.38 -0.88 0.12 115.31 120.93 3f3y h LEU 213 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3f3y h LEU 213 Cb 0.80 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3f3y h LEU 213 CO 0.07 0.73 -0.00 0.40 0.09 0.00 0.00 178.44 179.72 3f3y h ILE 214 N 0.98 1.30 -0.79 1.22 2.04 -0.58 0.50 117.51 122.18 3f3y h ILE 214 Ca 0.25 -0.88 0.17 0.00 1.00 0.00 0.00 64.86 65.40 3f3y h ILE 214 Cb 0.04 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 37.89 3f3y h ILE 214 CO -0.04 0.23 0.28 -0.07 0.00 0.00 0.00 178.15 178.55 3f3y h LEU 215 N -0.35 0.21 -0.62 1.44 3.38 -0.92 -0.65 115.31 117.80 3f3y h LEU 215 Ca 0.00 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3f3y h LEU 215 Cb 0.37 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3f3y h LEU 215 CO 0.00 0.04 0.10 0.50 0.09 0.00 0.00 178.44 179.17 3f3y h LYS 216 N 0.38 1.03 -0.00 1.13 3.64 -0.19 -3.24 116.57 119.31 3f3y h LYS 216 Ca 0.45 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3f3y h LYS 216 Cb 0.75 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3f3y h LYS 216 CO -0.47 0.96 -0.80 0.09 -2.27 0.00 0.00 179.45 176.97 3f3y n ASN 217 N -4.28 1.13 -1.02 4.20 3.02 0.12 -3.55 115.26 114.88 3f3y n ASN 217 Ca 0.03 -0.99 0.09 0.00 -0.03 0.00 0.00 54.58 53.69 3f3y n ASN 217 Cb 0.28 0.75 0.23 0.00 -0.61 0.00 0.00 39.78 40.44 3f3y n ASN 217 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3f3y n SER 218 N -1.18 3.41 -4.70 6.41 3.41 -0.30 -4.53 113.62 116.14 3f3y n SER 218 Ca 0.06 -1.97 -0.37 0.00 -0.26 0.00 0.00 58.87 56.33 3f3y n SER 218 Cb 0.36 -0.33 0.08 0.00 -0.26 0.00 0.00 64.21 64.05 3f3y n SER 218 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3f3y n SER 219 N 1.16 1.69 -0.31 4.04 3.41 -1.22 -4.76 113.62 117.63 3f3y n SER 219 Ca 0.18 0.78 0.10 0.00 -0.26 0.00 0.00 58.87 59.67 3f3y n SER 219 Cb 0.53 -1.52 0.26 0.00 -0.26 0.00 0.00 64.21 63.22 3f3y n SER 219 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3f3y h PHE 220 N 0.28 0.79 -0.17 7.33 3.57 -1.93 0.32 116.94 127.12 3f3y h PHE 220 Ca -0.50 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 3f3y h PHE 220 Cb 1.34 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3f3y h PHE 220 CO 0.41 0.13 -0.13 0.37 -2.23 0.00 0.00 178.31 176.86 3f3y h GLN 221 N 0.59 0.39 -0.65 1.11 5.75 -1.96 0.14 115.11 120.47 3f3y h GLN 221 Ca 0.51 -0.19 0.08 0.00 -0.15 0.00 0.00 58.65 58.90 3f3y h GLN 221 Cb 0.80 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.29 3f3y h GLN 221 CO -0.41 0.73 0.31 0.77 -2.65 0.00 0.00 178.83 177.58 3f3y h SER 222 N 0.04 0.39 -0.24 -0.69 0.02 -1.69 -0.91 113.55 110.47 3f3y h SER 222 Ca 0.03 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3f3y h SER 222 Cb 0.65 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3f3y h SER 222 CO 0.03 0.23 -0.15 0.24 -1.14 0.00 0.00 176.83 176.05 3f3y h MET 223 N 0.54 0.53 -0.28 3.45 2.86 -0.90 -0.60 114.93 120.53 3f3y h MET 223 Ca 0.32 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 3f3y h MET 223 Cb 0.33 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3f3y h MET 223 CO -0.26 0.81 0.20 -0.22 1.06 0.00 0.00 176.91 178.50 3f3y h LYS 224 N 0.24 0.07 -0.00 1.72 3.64 -0.47 -1.42 116.57 120.35 3f3y h LYS 224 Ca 0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3f3y h LYS 224 Cb 0.67 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3f3y h LYS 224 CO 0.04 0.05 -0.59 0.39 -2.27 0.00 0.00 179.45 177.07 3f3y n GLU 225 N -4.47 0.10 -2.92 1.90 1.02 -0.37 -4.82 120.64 111.09 3f3y n GLU 225 Ca 0.03 -0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 3f3y n GLU 225 Cb 0.31 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 3f3y n GLU 225 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3f3y s ASN 226 N -2.94 6.52 0.56 1.62 3.84 -0.27 -4.92 114.94 119.34 3f3y s ASN 226 Ca 0.12 0.22 0.24 0.00 0.21 0.00 0.00 52.86 53.64 3f3y s ASN 226 Cb 0.17 -2.41 1.53 0.00 -0.55 0.00 0.00 41.25 40.00 3f3y s ASN 226 CO 0.72 -0.85 2.16 0.11 -2.79 0.00 0.00 177.10 176.45 3f3y h LYS 227 N 8.72 0.00 -0.07 0.43 1.57 -1.88 -0.26 116.57 125.08 3f3y h LYS 227 Ca -0.24 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.36 3f3y h LYS 227 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3f3y h LYS 227 CO 0.95 0.00 -0.73 0.52 -0.57 0.00 0.00 179.45 179.63 3f3y h MET 228 N 0.00 0.36 0.00 3.15 2.86 -1.86 -3.36 114.93 116.09 3f3y h MET 228 Ca 0.04 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3f3y h MET 228 Cb 0.20 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3f3y h MET 228 CO -0.00 0.94 -1.33 0.43 1.06 0.00 0.00 176.91 178.01 3f3y n SER 229 N -3.83 0.50 -1.06 1.22 7.64 -0.39 -1.99 113.62 115.72 3f3y n SER 229 Ca -0.04 -0.21 0.12 0.00 1.01 0.00 0.00 58.87 59.75 3f3y n SER 229 Cb 0.70 1.18 0.21 0.00 -1.01 0.00 0.00 64.21 65.29 3f3y n SER 229 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3f3y n ASN 230 N -2.06 3.19 -0.16 6.43 0.23 -0.25 -4.94 115.26 117.70 3f3y n ASN 230 Ca 0.00 -1.97 -0.02 0.00 -0.53 0.00 0.00 54.58 52.06 3f3y n ASN 230 Cb 0.48 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 3f3y n ASN 230 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3f3y n TYR 231 N 1.35 0.00 0.54 -2.53 4.02 -1.26 -4.35 117.16 114.94 3f3y n TYR 231 Ca 0.18 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.19 3f3y n TYR 231 Cb 0.58 -0.85 0.45 0.00 -0.02 0.00 0.00 39.34 39.50 3f3y n TYR 231 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3f3y n SER 232 N 0.16 0.62 0.06 7.72 3.41 -1.26 -2.98 113.62 121.35 3f3y n SER 232 Ca -0.02 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3f3y n SER 232 Cb 0.16 -0.75 0.37 0.00 -0.26 0.00 0.00 64.21 63.73 3f3y n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f3y n LEU 233 N -2.13 0.58 -4.71 1.04 4.77 -1.26 -4.92 117.00 110.38 3f3y n LEU 233 Ca 0.04 0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 3f3y n LEU 233 Cb 0.31 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3f3y n LEU 233 CO 0.24 -0.08 1.22 -0.76 -1.33 0.00 0.00 177.39 176.68 3f3y s LEU 234 N -3.97 4.37 0.59 2.23 2.01 -1.16 -4.91 118.68 117.84 3f3y s LEU 234 Ca 0.10 2.51 -0.18 0.00 0.01 0.00 0.00 54.13 56.58 3f3y s LEU 234 Cb 0.15 -3.58 -0.08 0.00 0.01 0.00 0.00 46.19 42.69 3f3y s LEU 234 CO 0.63 -0.80 0.58 -1.20 1.01 0.00 0.00 176.35 176.57 3f3y n SER 235 N 4.42 -0.81 0.07 2.29 7.64 -1.26 -4.81 113.62 121.15 3f3y n SER 235 Ca 0.14 0.73 0.05 0.00 1.01 0.00 0.00 58.87 60.80 3f3y n SER 235 Cb 0.40 -1.21 0.25 0.00 -1.01 0.00 0.00 64.21 62.65 3f3y n SER 235 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3f3y n VAL 236 N -1.77 1.56 1.99 0.44 3.14 -1.26 -1.32 118.33 121.10 3f3y n VAL 236 Ca 0.12 0.60 0.03 0.00 -2.96 0.00 0.00 64.34 62.13 3f3y n VAL 236 Cb 0.48 -1.60 0.18 0.00 -1.06 0.00 0.00 33.84 31.83 3f3y n VAL 236 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3f3y n ASP 237 N -1.82 0.02 0.00 6.55 5.75 -1.26 -3.99 116.55 121.80 3f3y n ASP 237 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3f3y n ASP 237 Cb 0.02 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3f3y n ASP 237 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3f3y n TYR 238 N -0.58 0.00 -4.37 2.11 4.02 -0.44 -4.99 117.16 112.91 3f3y n TYR 238 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 3f3y n TYR 238 Cb 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.20 3f3y n TYR 238 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3f3y s VAL 239 N -1.55 0.72 0.45 -0.72 -7.23 -1.21 -1.03 120.40 109.84 3f3y s VAL 239 Ca 0.00 -0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 59.56 3f3y s VAL 239 Cb 0.00 -0.61 -0.08 0.00 0.56 0.00 0.00 36.38 36.25 3f3y s VAL 239 CO 0.00 0.21 1.09 0.54 -0.31 0.00 0.00 175.10 176.63 3f3y s VAL 240 N -0.15 3.47 0.00 1.32 0.11 0.20 -4.77 120.40 120.58 3f3y s VAL 240 Ca 0.02 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 3f3y s VAL 240 Cb -0.04 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 3f3y s VAL 240 CO -0.00 -0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.17 3f3y n ASP 241 N -0.52 0.00 -4.17 3.54 8.00 -1.26 -4.72 116.55 117.42 3f3y n ASP 241 Ca 0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 3f3y n ASP 241 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 3f3y n ASP 241 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3f3y s LYS 242 N 0.00 1.33 2.65 -1.24 3.01 -1.26 -5.05 119.74 119.19 3f3y s LYS 242 Ca 0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 55.97 53.24 3f3y s LYS 242 Cb 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 37.83 36.89 3f3y s LYS 242 CO 0.00 -0.38 0.00 0.00 0.51 0.00 0.00 175.35 175.48 3f3y n ALA 243 N -0.38 0.00 -3.48 5.17 0.00 -1.26 -4.91 120.51 115.64 3f3y n ALA 243 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 3f3y n ALA 243 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 3f3y n ALA 243 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f3y s GLN 244 N 0.00 3.70 0.14 0.00 -1.52 -1.26 -4.88 119.66 115.85 3f3y s GLN 244 Ca 0.00 -3.16 -0.09 0.00 -1.95 0.00 0.00 55.36 50.16 3f3y s GLN 244 Cb 0.00 -4.26 -0.03 0.00 -0.22 0.00 0.00 33.01 28.49 3f3y s GLN 244 CO 0.00 -1.25 1.42 1.25 -0.25 0.00 0.00 175.29 176.46 3f3y h LEU 245 N 6.49 0.86 -7.65 2.90 5.85 -1.91 -3.38 115.31 118.47 3f3y h LEU 245 Ca 0.16 -0.48 -0.79 0.00 0.84 0.00 0.00 57.88 57.61 3f3y h LEU 245 Cb 0.86 -0.25 -0.26 0.00 0.37 0.00 0.00 40.66 41.38 3f3y h LEU 245 CO 0.91 1.25 0.46 -0.76 -0.34 0.00 0.00 178.44 179.97 3f3y s LEU 246 N -8.53 6.29 -0.10 2.25 1.43 -1.26 -4.86 118.68 113.89 3f3y s LEU 246 Ca -0.10 -3.30 -0.06 0.00 -1.03 0.00 0.00 54.13 49.64 3f3y s LEU 246 Cb 0.10 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3f3y s LEU 246 CO 0.88 -0.41 -0.12 -0.09 0.23 0.00 0.00 176.35 176.83 3f3y h ARG 247 N 7.02 0.00 0.00 1.70 2.43 -2.00 -3.47 114.38 120.05 3f3y h ARG 247 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3f3y h ARG 247 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3f3y h ARG 247 CO 0.98 0.00 -0.15 1.17 -1.51 0.00 0.00 179.97 180.46 3f3y n LYS 248 N -4.03 0.16 -2.64 0.20 4.81 -1.26 -5.06 118.16 110.33 3f3y n LYS 248 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 3f3y n LYS 248 Cb 0.18 -0.58 0.02 0.00 0.02 0.00 0.00 35.03 34.67 3f3y n LYS 248 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f3y n GLY 249 N 1.56 0.03 3.37 3.14 0.00 -1.26 -5.02 105.19 107.02 3f3y n GLY 249 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 3f3y n GLY 249 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f3y s VAL 250 N -2.86 0.91 0.10 1.61 -7.23 -1.26 -5.05 120.40 106.62 3f3y s VAL 250 Ca 0.15 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3f3y s VAL 250 Cb -0.07 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3f3y s VAL 250 CO 0.19 -0.07 0.27 -0.94 -0.31 0.00 0.00 175.10 174.24 3f3y s SER 251 N -3.38 6.38 0.00 4.85 1.04 -1.26 -4.58 113.70 116.76 3f3y s SER 251 Ca 0.35 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3f3y s SER 251 Cb 0.08 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.22 3f3y s SER 251 CO 0.13 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.07 3f3y n GLY 252 N 0.02 0.77 0.24 7.32 0.00 -1.26 -4.94 105.19 107.34 3f3y n GLY 252 Ca -0.05 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.99 3f3y n GLY 252 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3f3y h ASP 253 N 0.00 0.00 -0.99 1.61 -0.00 -1.97 -3.12 116.42 111.96 3f3y h ASP 253 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 57.03 57.29 3f3y h ASP 253 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.33 39.20 3f3y h ASP 253 CO 0.00 0.17 0.56 4.11 -0.00 0.00 0.00 179.24 184.08 3f3y h TRP 254 N 0.00 0.94 -0.37 0.28 5.08 -1.91 0.92 115.95 120.89 3f3y h TRP 254 Ca -0.00 0.04 0.11 0.00 1.08 0.00 0.00 58.89 60.11 3f3y h TRP 254 Cb 0.43 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.32 3f3y h TRP 254 CO 0.00 0.00 0.44 0.87 -1.28 0.00 0.00 178.44 178.47 3f3y h LYS 255 N 0.50 0.00 0.00 0.12 1.57 -1.89 0.14 116.57 117.01 3f3y h LYS 255 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 3f3y h LYS 255 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3f3y h LYS 255 CO -0.51 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.46 3f3y n ASN 256 N -3.61 0.00 0.00 0.86 3.02 0.32 -4.37 115.26 111.48 3f3y n ASN 256 Ca 0.06 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 3f3y n ASN 256 Cb 0.60 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3f3y n ASN 256 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3f3y n HIS 257 N -1.43 0.00 -2.18 3.10 8.25 0.40 -5.03 115.22 118.33 3f3y n HIS 257 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 3f3y n HIS 257 Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 3f3y n HIS 257 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3f3y s PHE 258 N -1.51 3.19 0.85 4.41 0.40 -0.69 -5.05 117.98 119.59 3f3y s PHE 258 Ca 0.00 1.26 -0.12 0.00 -0.60 0.00 0.00 56.93 57.47 3f3y s PHE 258 Cb 0.00 -3.63 0.10 0.00 0.51 0.00 0.00 43.02 40.00 3f3y s PHE 258 CO 0.00 -1.92 1.11 0.95 0.70 0.00 0.00 175.22 176.06 3f3y s THR 259 N -0.25 2.68 0.35 0.64 -4.23 -1.26 -4.84 115.64 108.72 3f3y s THR 259 Ca 0.55 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 3f3y s THR 259 Cb -0.38 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 70.71 3f3y s THR 259 CO 0.42 -0.29 1.91 0.58 -0.54 0.00 0.00 174.62 176.70 3f3y h VAL 260 N -1.29 1.18 -0.05 2.29 2.07 -1.97 -0.36 116.25 118.13 3f3y h VAL 260 Ca -0.49 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3f3y h VAL 260 Cb 1.29 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3f3y h VAL 260 CO 0.59 0.24 -0.00 0.00 0.02 0.00 0.00 177.57 178.42 3f3y h ALA 261 N 1.54 0.04 -0.26 1.67 0.00 -1.99 -0.32 119.26 119.93 3f3y h ALA 261 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f3y h ALA 261 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3f3y h ALA 261 CO 0.00 -0.48 0.15 1.96 0.00 0.00 0.00 179.25 180.87 3f3y h GLN 262 N 0.01 0.37 -0.65 0.00 4.20 -1.81 -1.39 115.11 115.84 3f3y h GLN 262 Ca 0.02 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3f3y h GLN 262 Cb 0.03 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 3f3y h GLN 262 CO -0.04 0.32 0.37 0.00 -0.67 0.00 0.00 178.83 178.81 3f3y h ALA 263 N 1.03 0.87 -0.65 3.87 0.00 -0.89 -0.92 119.26 122.55 3f3y h ALA 263 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3f3y h ALA 263 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3f3y h ALA 263 CO -0.02 0.06 0.34 0.93 0.00 0.00 0.00 179.25 180.56 3f3y h GLU 264 N 0.69 0.92 -0.54 0.00 5.08 -0.76 -0.86 114.58 119.12 3f3y h GLU 264 Ca 0.29 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3f3y h GLU 264 Cb 0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3f3y h GLU 264 CO -0.17 0.71 0.14 -0.44 -1.00 0.00 0.00 179.01 178.26 3f3y h ASP 265 N 0.90 0.75 0.58 1.42 3.32 -0.37 -2.85 116.42 120.16 3f3y h ASP 265 Ca 0.23 -0.13 -0.26 0.00 0.02 0.00 0.00 57.03 56.89 3f3y h ASP 265 Cb 0.07 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3f3y h ASP 265 CO -0.03 0.73 -1.15 0.15 -1.72 0.00 0.00 179.24 177.22 3f3y h PHE 266 N 0.79 0.49 -0.00 4.55 3.04 -1.01 -2.30 116.94 122.50 3f3y h PHE 266 Ca 0.18 -0.33 0.02 0.00 3.98 0.00 0.00 57.97 61.82 3f3y h PHE 266 Cb 0.27 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.72 3f3y h PHE 266 CO 0.02 1.22 -0.14 -0.44 -2.02 0.00 0.00 178.31 176.95 3f3y h ASP 267 N 0.11 -0.42 -0.69 0.41 3.32 -1.09 0.15 116.42 118.21 3f3y h ASP 267 Ca -0.11 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3f3y h ASP 267 Cb 1.85 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 41.54 3f3y h ASP 267 CO 0.19 -0.20 0.46 0.50 -1.72 0.00 0.00 179.24 178.47 3f3y h LYS 268 N -0.24 0.89 -0.01 3.56 1.63 -1.54 0.30 116.57 121.15 3f3y h LYS 268 Ca 0.05 -0.05 -0.22 0.00 -0.85 0.00 0.00 60.65 59.57 3f3y h LYS 268 Cb 0.30 -0.20 0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3f3y h LYS 268 CO -0.14 0.59 -0.86 1.25 -3.45 0.00 0.00 179.45 176.83 3f3y h LEU 269 N 0.92 0.78 -0.59 5.20 5.85 -0.83 -2.50 115.31 124.14 3f3y h LEU 269 Ca 0.26 -0.74 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 3f3y h LEU 269 Cb -0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3f3y h LEU 269 CO -0.06 1.41 -0.31 0.15 -0.34 0.00 0.00 178.44 179.29 3f3y h PHE 270 N 0.23 0.92 -0.40 1.25 3.57 -0.51 -0.41 116.94 121.59 3f3y h PHE 270 Ca -0.10 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 3f3y h PHE 270 Cb 1.53 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 3f3y h PHE 270 CO 0.12 1.00 0.06 1.96 -2.23 0.00 0.00 178.31 179.22 3f3y h GLN 271 N 0.67 0.62 0.13 1.11 7.50 -0.41 -1.89 115.11 122.84 3f3y h GLN 271 Ca 0.07 -0.12 -0.22 0.00 0.50 0.00 0.00 58.65 58.88 3f3y h GLN 271 Cb 0.85 -0.10 0.01 0.00 0.05 0.00 0.00 27.48 28.30 3f3y h GLN 271 CO 0.07 0.59 -1.03 1.05 -1.50 0.00 0.00 178.83 178.02 3f3y h GLU 272 N 0.60 0.28 0.00 1.46 -0.00 -1.17 -3.19 114.58 112.55 3f3y h GLU 272 Ca 0.13 -0.47 -0.05 0.00 -0.00 0.00 0.00 59.36 58.97 3f3y h GLU 272 Cb 0.29 0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.20 3f3y h GLU 272 CO 0.00 1.23 -0.24 0.87 -0.00 0.00 0.00 179.01 180.87 3f3y h LYS 273 N -0.36 0.00 -0.36 1.06 1.57 -1.07 -3.29 116.57 114.12 3f3y h LYS 273 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3f3y h LYS 273 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 3f3y h LYS 273 CO 0.11 0.24 0.00 -1.33 -0.57 0.00 0.00 179.45 177.90 3f3y n MET 274 N -3.54 2.66 -0.33 3.15 2.81 -0.71 -4.58 117.12 116.58 3f3y n MET 274 Ca -0.01 -2.05 0.09 0.00 -1.81 0.00 0.00 57.70 53.93 3f3y n MET 274 Cb 0.39 -1.30 0.26 0.00 -0.71 0.00 0.00 33.22 31.86 3f3y n MET 274 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3f3y h ALA 275 N 2.32 1.46 0.00 3.04 0.00 -1.62 -1.48 119.26 122.97 3f3y h ALA 275 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3f3y h ALA 275 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3f3y h ALA 275 CO 0.00 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 3f3y n ASP 276 N -4.80 0.00 -4.56 0.00 3.85 -1.26 -4.76 116.55 105.01 3f3y n ASP 276 Ca 0.20 -0.77 -0.30 0.00 -0.71 0.00 0.00 54.79 53.20 3f3y n ASP 276 Cb 0.48 -0.03 -0.10 0.00 -1.35 0.00 0.00 41.12 40.12 3f3y n ASP 276 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3f3y s LEU 277 N -2.05 2.99 -0.02 -2.12 1.43 -0.56 -5.08 118.68 113.27 3f3y s LEU 277 Ca 0.39 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3f3y s LEU 277 Cb 0.18 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 3f3y s LEU 277 CO 0.32 0.20 1.86 -2.84 0.23 0.00 0.00 176.35 176.12 3f3y s PRO 278 N -2.00 4.07 0.00 1.29 0.02 -1.26 -4.83 135.00 132.29 3f3y s PRO 278 Ca 0.20 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.64 3f3y s PRO 278 Cb -0.11 -4.11 0.22 0.00 0.02 0.00 0.00 34.50 30.52 3f3y s PRO 278 CO 0.12 -1.02 0.73 2.89 -0.33 0.00 0.00 177.00 179.39 3f3y n ARG 279 N 7.50 0.11 0.06 5.54 0.00 -1.26 -1.10 116.66 127.50 3f3y n ARG 279 Ca 0.20 0.03 0.12 0.00 -0.00 0.00 0.00 57.85 58.20 3f3y n ARG 279 Cb 0.42 -1.50 0.23 0.00 -0.00 0.00 0.00 32.46 31.61 3f3y n ARG 279 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3f3y n GLU 280 N -1.03 0.24 0.27 2.89 0.00 -1.26 -3.60 120.64 118.14 3f3y n GLU 280 Ca 0.03 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.40 3f3y n GLU 280 Cb 0.01 -1.67 0.75 0.00 0.00 0.00 0.00 31.44 30.53 3f3y n GLU 280 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3f3y h LEU 281 N 0.00 0.00 -7.55 -1.84 3.38 -1.50 -3.42 115.31 104.38 3f3y h LEU 281 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3f3y h LEU 281 Cb 0.71 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.10 3f3y h LEU 281 CO 0.00 0.10 -0.34 -0.36 0.09 0.00 0.00 178.44 177.93 3f3y s PHE 282 N -4.25 3.42 0.43 1.13 0.08 -1.24 -4.98 117.98 112.58 3f3y s PHE 282 Ca -0.03 -2.73 0.32 0.00 0.12 0.00 0.00 56.93 54.61 3f3y s PHE 282 Cb 0.13 -3.21 1.48 0.00 -0.57 0.00 0.00 43.02 40.85 3f3y s PHE 282 CO 0.58 -0.83 1.55 -2.30 -0.10 0.00 0.00 175.22 174.12 3f3y n PRO 283 N 3.40 -0.04 -1.11 0.24 -0.02 -1.26 -4.59 135.00 131.63 3f3y n PRO 283 Ca 0.09 1.26 -0.30 0.00 -2.02 0.00 0.00 63.50 62.52 3f3y n PRO 283 Cb 0.38 -2.46 0.13 0.00 -0.02 0.00 0.00 33.50 31.53 3f3y n PRO 283 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3f3y s TRP 284 N -5.25 2.27 -1.28 6.00 -2.14 -1.26 -5.16 118.94 112.12 3f3y s TRP 284 Ca -0.07 1.49 0.10 0.00 2.66 0.00 0.00 56.10 60.28 3f3y s TRP 284 Cb 0.31 -3.14 0.08 0.00 -3.10 0.00 0.00 33.47 27.62 3f3y s TRP 284 CO 0.81 -2.26 0.82 0.39 -2.66 0.00 0.00 176.95 174.06