#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2r h TRP 25 N 0.00 0.00 -0.14 4.78 4.06 -1.99 -1.43 115.95 121.23 2r2r h TRP 25 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2r2r h TRP 25 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2r2r h TRP 25 CO 0.00 0.02 -0.06 1.25 -3.56 0.00 0.00 178.44 176.09 2r2r h LEU 26 N 0.00 0.19 0.06 -4.49 6.46 -2.00 -2.03 115.31 113.49 2r2r h LEU 26 Ca -0.00 -0.03 -0.30 0.00 -0.12 0.00 0.00 57.88 57.43 2r2r h LEU 26 Cb 0.10 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 2r2r h LEU 26 CO 0.00 0.29 -1.63 0.77 -0.62 0.00 0.00 178.44 177.26 2r2r h SER 27 N 0.20 0.20 0.33 1.25 4.64 -1.70 -3.33 113.55 115.14 2r2r h SER 27 Ca 0.05 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.92 2r2r h SER 27 Cb 0.25 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2r2r h SER 27 CO 0.01 1.30 -0.42 0.44 -0.87 0.00 0.00 176.83 177.29 2r2r h ASP 28 N 0.04 0.13 -2.61 4.97 3.32 -1.35 -3.37 116.42 117.55 2r2r h ASP 28 Ca -0.27 -0.06 -0.60 0.00 0.02 0.00 0.00 57.03 56.13 2r2r h ASP 28 Cb 1.99 -0.04 -0.39 0.00 0.22 0.00 0.00 39.33 41.11 2r2r h ASP 28 CO 0.11 0.55 -0.83 0.49 -1.72 0.00 0.00 179.24 177.84 2r2r n PHE 29 N -4.02 0.56 -0.10 4.55 3.72 -0.79 -4.97 117.46 116.41 2r2r n PHE 29 Ca -0.02 -3.66 -0.11 0.00 -0.05 0.00 0.00 57.45 53.61 2r2r n PHE 29 Cb 0.47 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 2r2r n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2r2r h PRO 30 N 5.52 0.55 0.00 -1.08 0.11 -1.73 -3.12 132.00 132.25 2r2r h PRO 30 Ca 0.23 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2r2r h PRO 30 Cb 0.85 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2r2r h PRO 30 CO 0.50 0.72 -0.04 0.37 -0.21 0.00 0.00 178.00 179.34 2r2r h GLN 31 N 0.33 0.00 0.00 1.05 4.15 -1.92 -2.84 115.11 115.88 2r2r h GLN 31 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2r2r h GLN 31 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2r2r h GLN 31 CO 0.02 0.04 -0.37 0.00 -1.93 0.00 0.00 178.83 176.59 2r2r h ALA 32 N 1.96 0.76 -3.17 3.38 0.00 -1.79 -3.42 119.26 116.98 2r2r h ALA 32 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2r2r h ALA 32 Cb 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 2r2r h ALA 32 CO 0.01 0.00 -0.59 -1.58 0.00 0.00 0.00 179.25 177.09 2r2r s TRP 33 N -3.16 3.26 0.37 0.00 0.52 -1.09 -1.61 118.94 117.23 2r2r s TRP 33 Ca 0.07 0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.49 2r2r s TRP 33 Cb 0.12 -1.84 0.71 0.00 -1.15 0.00 0.00 33.47 31.32 2r2r s TRP 33 CO 0.68 0.51 2.00 0.00 0.02 0.00 0.00 176.95 180.15 2r2r h ALA 34 N 5.21 1.57 -0.82 0.98 0.00 -1.08 0.79 119.26 125.92 2r2r h ALA 34 Ca -0.51 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.43 2r2r h ALA 34 Cb 1.20 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2r2r h ALA 34 CO 0.56 0.37 0.53 0.93 0.00 0.00 0.00 179.25 181.64 2r2r h GLU 35 N 0.68 0.72 0.00 0.00 3.07 -1.92 -3.29 114.58 113.84 2r2r h GLU 35 Ca 0.18 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2r2r h GLU 35 Cb -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 2r2r h GLU 35 CO -0.03 0.48 0.00 0.25 -1.40 0.00 0.00 179.01 178.31 2r2r n THR 36 N -4.51 0.00 1.03 1.13 -2.24 -0.87 -4.79 114.28 104.04 2r2r n THR 36 Ca 0.14 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.69 2r2r n THR 36 Cb 0.34 1.21 0.03 0.00 -2.10 0.00 0.00 70.33 69.81 2r2r n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r2r n GLY 37 N 0.22 -0.29 0.00 3.38 0.00 0.27 -4.72 105.19 104.06 2r2r n GLY 37 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2r2r n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2r n GLY 38 N 1.43 -1.65 3.72 -0.02 0.00 -1.25 -4.87 105.19 102.55 2r2r n GLY 38 Ca 0.08 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 2r2r n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2r2r n MET 39 N -1.91 1.99 -2.06 1.61 1.56 -1.26 -4.80 117.12 112.25 2r2r n MET 39 Ca 0.00 0.71 -0.28 0.00 -0.27 0.00 0.00 57.70 57.86 2r2r n MET 39 Cb 0.00 -2.46 0.11 0.00 2.15 0.00 0.00 33.22 33.02 2r2r n MET 39 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2r2r s GLY 40 N -0.55 1.69 -0.30 -5.12 0.00 -1.26 -5.06 107.32 96.72 2r2r s GLY 40 Ca 0.62 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2r2r s GLY 40 CO 0.57 -0.43 0.98 -2.27 0.00 0.00 0.00 173.10 171.95 2r2r s LEU 41 N -5.53 -0.61 -0.95 0.66 0.20 0.15 -4.50 118.68 108.09 2r2r s LEU 41 Ca 0.65 0.37 -0.24 0.00 0.69 0.00 0.00 54.13 55.60 2r2r s LEU 41 Cb -0.08 1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 47.15 2r2r s LEU 41 CO 0.48 -0.11 1.88 0.00 -0.29 0.00 0.00 176.35 178.31 2r2r s ALA 42 N 2.94 1.84 0.63 5.97 0.00 0.47 -4.16 121.76 129.44 2r2r s ALA 42 Ca 0.03 -1.69 0.33 0.00 0.00 0.00 0.00 51.96 50.64 2r2r s ALA 42 Cb -0.11 -4.57 1.88 0.00 0.00 0.00 0.00 23.12 20.33 2r2r s ALA 42 CO -0.13 -4.68 2.15 -0.39 0.00 0.00 0.00 175.76 172.71 2r2r h VAL 43 N 7.07 0.25 0.00 0.00 -1.51 -1.79 -2.00 116.25 118.27 2r2r h VAL 43 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 2r2r h VAL 43 Cb 1.00 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2r2r h VAL 43 CO 1.24 0.00 -0.71 0.03 -1.23 0.00 0.00 177.57 176.91 2r2r h ARG 44 N 0.00 0.00 -5.82 5.19 2.47 -1.88 -3.46 114.38 110.88 2r2r h ARG 44 Ca 0.04 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.18 2r2r h ARG 44 Cb 0.36 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.60 2r2r h ARG 44 CO -0.00 0.00 0.12 -0.65 0.56 0.00 0.00 179.97 180.00 2r2r s GLN 45 N -3.22 4.31 0.44 0.04 -1.52 -0.75 -5.04 119.66 113.91 2r2r s GLN 45 Ca 0.04 0.74 -0.24 0.00 -1.95 0.00 0.00 55.36 53.95 2r2r s GLN 45 Cb 0.12 -3.52 -0.08 0.00 -0.22 0.00 0.00 33.01 29.31 2r2r s GLN 45 CO 0.74 -0.12 1.21 0.00 -0.25 0.00 0.00 175.29 176.87 2r2r s ALA 46 N 1.48 3.06 0.20 6.09 0.00 -1.26 -4.80 121.76 126.53 2r2r s ALA 46 Ca 0.33 1.03 -0.32 0.00 0.00 0.00 0.00 51.96 52.99 2r2r s ALA 46 Cb -0.16 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 2r2r s ALA 46 CO 0.13 -0.71 1.37 -2.30 0.00 0.00 0.00 175.76 174.25 2r2r n PRO 47 N -0.26 1.78 -2.48 0.00 -0.02 -1.26 -4.80 135.00 127.96 2r2r n PRO 47 Ca 0.06 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2r2r n PRO 47 Cb 0.47 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2r2r n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2r2r s LEU 48 N 0.36 4.49 -0.20 2.45 1.43 0.31 -4.24 118.68 123.29 2r2r s LEU 48 Ca 0.72 2.15 -0.07 0.00 -1.03 0.00 0.00 54.13 55.90 2r2r s LEU 48 Cb -0.72 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 2r2r s LEU 48 CO 0.48 -0.24 0.05 -0.63 0.23 0.00 0.00 176.35 176.24 2r2r s ILE 49 N -0.34 4.50 -0.49 -0.59 1.01 -1.26 -0.00 121.20 124.03 2r2r s ILE 49 Ca 0.49 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 2r2r s ILE 49 Cb -0.30 -3.05 0.10 0.00 0.01 0.00 0.00 42.46 39.22 2r2r s ILE 49 CO 0.36 0.42 0.42 -0.63 0.00 0.00 0.00 174.94 175.51 2r2r s ILE 50 N 0.80 5.07 0.26 2.92 -1.09 -1.26 -5.06 121.20 122.83 2r2r s ILE 50 Ca 0.03 -1.31 -0.29 0.00 -2.23 0.00 0.00 60.65 56.84 2r2r s ILE 50 Cb -0.14 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.51 2r2r s ILE 50 CO 0.02 -0.70 1.21 -2.84 -1.23 0.00 0.00 174.94 171.40 2r2r s PRO 51 N 1.59 4.50 0.41 2.79 0.02 -1.26 -4.97 135.00 138.08 2r2r s PRO 51 Ca 0.04 1.96 -0.00 0.00 0.02 0.00 0.00 61.00 63.02 2r2r s PRO 51 Cb -0.27 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.06 2r2r s PRO 51 CO 0.04 -0.03 0.64 -0.51 -0.33 0.00 0.00 177.00 176.81 2r2r s LEU 52 N -1.03 3.79 0.65 -5.54 1.43 -1.26 -1.46 118.68 115.26 2r2r s LEU 52 Ca 0.49 0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.87 2r2r s LEU 52 Cb -0.35 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2r2r s LEU 52 CO 0.42 -0.52 1.13 -0.54 0.23 0.00 0.00 176.35 177.08 2r2r s LYS 53 N -4.48 2.80 0.28 1.70 1.02 -0.27 -4.41 119.74 116.38 2r2r s LYS 53 Ca 0.45 1.50 0.00 0.00 0.02 0.00 0.00 55.97 57.94 2r2r s LYS 53 Cb -0.10 -1.94 0.65 0.00 -0.52 0.00 0.00 37.83 35.92 2r2r s LYS 53 CO 0.38 -1.27 1.65 0.00 -0.92 0.00 0.00 175.35 175.19 2r2r h ALA 54 N 0.21 1.18 -0.02 5.17 0.00 -1.98 -2.23 119.26 121.59 2r2r h ALA 54 Ca -0.48 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2r2r h ALA 54 Cb 1.26 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2r2r h ALA 54 CO 0.54 -0.45 -0.06 0.25 0.00 0.00 0.00 179.25 179.53 2r2r n THR 55 N -5.24 0.00 -1.77 0.00 -2.24 -1.26 -5.01 114.28 98.76 2r2r n THR 55 Ca 0.20 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 2r2r n THR 55 Cb 0.63 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.91 2r2r n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2r2r s SER 56 N -2.08 6.33 0.10 3.42 0.01 -0.84 -5.04 113.70 115.60 2r2r s SER 56 Ca 0.30 3.04 0.06 0.00 1.31 0.00 0.00 55.95 60.67 2r2r s SER 56 Cb 0.20 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2r2r s SER 56 CO 0.35 -0.91 -0.16 -0.89 0.41 0.00 0.00 173.24 172.04 2r2r s THR 57 N -0.66 1.38 0.41 1.44 2.01 -1.26 -4.97 115.64 113.99 2r2r s THR 57 Ca 0.57 -1.55 -0.26 0.00 0.31 0.00 0.00 61.69 60.76 2r2r s THR 57 Cb -0.48 -1.40 -0.10 0.00 0.01 0.00 0.00 72.50 70.53 2r2r s THR 57 CO 0.58 -0.26 1.33 -2.65 -0.69 0.00 0.00 174.62 172.92 2r2r n PRO 58 N 0.90 2.10 -4.88 4.92 -0.02 -1.26 -5.01 135.00 131.75 2r2r n PRO 58 Ca -0.18 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 2r2r n PRO 58 Cb 0.55 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 2r2r n PRO 58 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2r2r s VAL 59 N -1.17 2.69 -0.33 -1.45 0.11 -1.26 -4.96 120.40 114.03 2r2r s VAL 59 Ca 0.59 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2r2r s VAL 59 Cb -0.50 -2.10 0.10 0.00 -1.53 0.00 0.00 36.38 32.34 2r2r s VAL 59 CO 0.59 0.53 0.05 -0.55 -3.33 0.00 0.00 175.10 172.39 2r2r s SER 60 N 0.41 4.62 -0.27 3.54 0.15 -1.25 -1.74 113.70 119.15 2r2r s SER 60 Ca -0.13 -2.02 -0.11 0.00 0.70 0.00 0.00 55.95 54.39 2r2r s SER 60 Cb -0.16 -1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 2r2r s SER 60 CO 0.06 -0.37 0.19 -0.63 1.20 0.00 0.00 173.24 173.68 2r2r s ILE 61 N 1.03 5.31 0.56 6.45 1.01 0.81 -4.87 121.20 131.50 2r2r s ILE 61 Ca 0.10 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 2r2r s ILE 61 Cb -0.19 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2r2r s ILE 61 CO -0.11 0.26 1.36 -0.75 0.00 0.00 0.00 174.94 175.71 2r2r s LYS 62 N 1.67 3.03 0.18 2.79 2.20 -1.26 -4.17 119.74 124.18 2r2r s LYS 62 Ca 0.07 2.23 -0.31 0.00 -0.36 0.00 0.00 55.97 57.61 2r2r s LYS 62 Cb -0.16 -2.19 -0.09 0.00 -1.51 0.00 0.00 37.83 33.88 2r2r s LYS 62 CO 0.10 -1.27 1.41 -1.14 -0.36 0.00 0.00 175.35 174.08 2r2r s GLN 63 N -2.98 4.31 0.18 4.03 2.00 -1.26 -4.70 119.66 121.24 2r2r s GLN 63 Ca 0.73 2.17 -0.30 0.00 -2.00 0.00 0.00 55.36 55.97 2r2r s GLN 63 Cb -0.41 -3.18 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 2r2r s GLN 63 CO 0.47 -0.41 1.20 0.71 -0.50 0.00 0.00 175.29 176.77 2r2r s TYR 64 N 0.54 3.43 0.05 1.67 2.02 -1.26 -4.91 117.35 118.88 2r2r s TYR 64 Ca 0.62 1.41 -0.37 0.00 -0.37 0.00 0.00 57.07 58.35 2r2r s TYR 64 Cb -0.39 -3.43 -0.17 0.00 -0.40 0.00 0.00 41.96 37.57 2r2r s TYR 64 CO 0.36 -1.22 1.33 -2.30 -1.57 0.00 0.00 175.55 172.15 2r2r n PRO 65 N 2.60 1.00 -4.88 -1.71 -0.02 -1.26 -4.96 135.00 125.77 2r2r n PRO 65 Ca 0.05 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 2r2r n PRO 65 Cb 0.45 -1.99 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 2r2r n PRO 65 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2r2r s MET 66 N 0.63 2.58 0.65 -0.52 1.75 -1.26 -5.12 119.30 118.00 2r2r s MET 66 Ca 0.86 -0.70 -0.14 0.00 -1.25 0.00 0.00 55.69 54.46 2r2r s MET 66 Cb -1.00 -2.40 -0.01 0.00 2.84 0.00 0.00 34.83 34.26 2r2r s MET 66 CO 0.49 0.59 1.09 -1.54 -0.65 0.00 0.00 175.02 175.00 2r2r s SER 67 N -0.64 5.31 0.29 1.11 1.04 -1.26 -4.86 113.70 114.70 2r2r s SER 67 Ca 0.09 1.89 -0.01 0.00 0.48 0.00 0.00 55.95 58.41 2r2r s SER 67 Cb -0.11 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 63.95 2r2r s SER 67 CO 0.01 -1.49 1.92 -0.61 0.98 0.00 0.00 173.24 174.04 2r2r h GLN 68 N 0.00 1.06 -0.09 4.02 4.15 -1.99 -1.31 115.11 120.95 2r2r h GLN 68 Ca -0.46 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 58.92 2r2r h GLN 68 Cb 1.23 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 2r2r h GLN 68 CO 0.55 0.70 -0.10 1.49 -1.93 0.00 0.00 178.83 179.55 2r2r h GLU 69 N 1.09 -0.12 -0.59 1.69 4.81 -2.00 0.01 114.58 119.48 2r2r h GLU 69 Ca 0.38 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2r2r h GLU 69 Cb 0.12 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2r2r h GLU 69 CO -0.13 -0.08 0.24 0.00 -0.73 0.00 0.00 179.01 178.30 2r2r h ALA 70 N 0.93 0.76 -0.29 2.92 0.00 -1.83 -1.96 119.26 119.79 2r2r h ALA 70 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2r2r h ALA 70 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2r2r h ALA 70 CO -0.17 0.37 0.18 -0.09 0.00 0.00 0.00 179.25 179.55 2r2r h ARG 71 N 0.81 0.39 -0.74 0.00 2.43 -0.89 0.15 114.38 116.53 2r2r h ARG 71 Ca 0.20 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2r2r h ARG 71 Cb 0.19 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2r2r h ARG 71 CO -0.02 0.28 0.36 -0.07 -1.51 0.00 0.00 179.97 179.02 2r2r h LEU 72 N 0.37 0.94 -0.89 3.80 4.07 -0.91 0.24 115.31 122.93 2r2r h LEU 72 Ca 0.10 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 2r2r h LEU 72 Cb -0.01 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2r2r h LEU 72 CO -0.02 0.79 -0.02 1.23 -1.08 0.00 0.00 178.44 179.35 2r2r h GLY 73 N 1.09 0.86 1.54 0.83 0.00 -0.75 -3.22 103.07 103.42 2r2r h GLY 73 Ca 0.26 -0.59 -0.27 0.00 0.00 0.00 0.00 47.33 46.73 2r2r h GLY 73 CO -0.03 0.54 -1.31 -2.22 0.00 0.00 0.00 176.54 173.51 2r2r h ILE 74 N 0.74 1.38 -0.87 2.60 2.04 -0.40 -3.40 117.51 119.60 2r2r h ILE 74 Ca 0.14 -3.05 0.14 0.00 1.00 0.00 0.00 64.86 63.09 2r2r h ILE 74 Cb 0.47 2.79 -0.15 0.00 -0.74 0.00 0.00 36.82 39.20 2r2r h ILE 74 CO 0.02 0.85 -0.36 0.50 0.00 0.00 0.00 178.15 179.16 2r2r h LYS 75 N 0.04 -0.05 -0.82 2.37 3.64 -0.55 -1.56 116.57 119.64 2r2r h LYS 75 Ca -0.15 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2r2r h LYS 75 Cb 1.93 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.68 2r2r h LYS 75 CO 0.15 -0.03 0.46 -1.35 -2.27 0.00 0.00 179.45 176.41 2r2r h PRO 76 N -0.05 0.73 -0.20 1.90 0.11 -1.77 0.69 132.00 133.40 2r2r h PRO 76 Ca 0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 2r2r h PRO 76 Cb 0.59 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2r2r h PRO 76 CO -0.89 0.48 0.09 0.45 -0.21 0.00 0.00 178.00 177.92 2r2r h HIS 77 N 0.75 0.29 -0.54 0.65 3.86 -1.56 -0.87 115.15 117.73 2r2r h HIS 77 Ca 0.41 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.60 2r2r h HIS 77 Cb 0.43 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2r2r h HIS 77 CO -0.07 0.30 0.32 0.82 0.86 0.00 0.00 177.93 180.16 2r2r h ILE 78 N 0.19 1.16 -0.45 2.45 1.08 -0.94 -1.44 117.51 119.56 2r2r h ILE 78 Ca 0.07 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2r2r h ILE 78 Cb 0.12 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 2r2r h ILE 78 CO -0.01 0.17 0.29 -0.61 -0.69 0.00 0.00 178.15 177.30 2r2r h GLN 79 N 0.73 0.60 -0.66 2.37 5.75 -0.70 -1.18 115.11 122.02 2r2r h GLN 79 Ca 0.19 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2r2r h GLN 79 Cb -0.01 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 2r2r h GLN 79 CO -0.04 0.41 0.35 -0.09 -2.65 0.00 0.00 178.83 176.81 2r2r h ARG 80 N 0.61 0.92 -0.51 1.69 2.43 -0.86 -0.81 114.38 117.86 2r2r h ARG 80 Ca 0.16 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2r2r h ARG 80 Cb -0.05 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 2r2r h ARG 80 CO -0.03 0.70 0.12 -0.07 -1.51 0.00 0.00 179.97 179.17 2r2r h LEU 81 N 0.90 0.72 -0.21 3.80 3.38 -0.87 -0.74 115.31 122.29 2r2r h LEU 81 Ca 0.23 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2r2r h LEU 81 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2r2r h LEU 81 CO -0.04 0.71 -0.07 -0.07 0.09 0.00 0.00 178.44 179.07 2r2r h LEU 82 N 0.75 0.42 -1.56 1.67 3.38 -0.83 0.16 115.31 119.29 2r2r h LEU 82 Ca 0.17 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2r2r h LEU 82 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2r2r h LEU 82 CO -0.00 0.71 -0.10 0.44 0.09 0.00 0.00 178.44 179.58 2r2r h ASP 83 N 0.13 0.15 0.57 -0.43 3.32 -0.87 -0.42 116.42 118.86 2r2r h ASP 83 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2r2r h ASP 83 Cb 0.53 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2r2r h ASP 83 CO 0.02 0.27 -0.08 0.00 -1.72 0.00 0.00 179.24 177.73 2r2r n GLN 84 N -4.34 0.41 -1.00 3.56 6.02 -0.31 -4.90 117.38 116.82 2r2r n GLN 84 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2r2r n GLN 84 Cb 0.22 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2r2r n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r2r n GLY 85 N 1.34 0.62 0.12 1.08 0.00 -0.17 -4.90 105.19 103.28 2r2r n GLY 85 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2r2r n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2r2r h ILE 86 N 0.00 1.24 -4.25 -0.61 2.04 -0.92 -3.43 117.51 111.58 2r2r h ILE 86 Ca 0.00 -2.50 -0.69 0.00 1.00 0.00 0.00 64.86 62.67 2r2r h ILE 86 Cb 0.02 2.44 -0.26 0.00 -0.74 0.00 0.00 36.82 38.28 2r2r h ILE 86 CO 0.00 0.65 -0.83 -0.76 0.00 0.00 0.00 178.15 177.22 2r2r s LEU 87 N -6.81 2.42 0.02 1.44 1.43 -0.96 -1.37 118.68 114.85 2r2r s LEU 87 Ca 0.02 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2r2r s LEU 87 Cb 0.10 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2r2r s LEU 87 CO 0.76 0.31 0.00 0.68 0.23 0.00 0.00 176.35 178.34 2r2r s VAL 88 N -0.73 0.12 0.72 -1.59 -7.23 -0.62 -4.35 120.40 106.73 2r2r s VAL 88 Ca 0.12 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 2r2r s VAL 88 Cb -0.10 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 36.40 2r2r s VAL 88 CO 0.01 -0.55 1.16 -2.84 -0.31 0.00 0.00 175.10 172.57 2r2r s PRO 89 N -1.82 2.28 0.08 4.82 0.02 -1.26 -1.29 135.00 137.83 2r2r s PRO 89 Ca -0.12 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.19 2r2r s PRO 89 Cb -0.07 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.67 2r2r s PRO 89 CO -0.02 -1.69 1.05 0.00 -0.33 0.00 0.00 177.00 176.01 2r2r s GLN 91 N -3.02 1.31 0.01 0.00 0.74 -1.26 -3.93 119.66 113.51 2r2r s GLN 91 Ca 0.12 -0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.17 2r2r s GLN 91 Cb 0.00 -1.72 -0.01 0.00 1.10 0.00 0.00 33.01 32.39 2r2r s GLN 91 CO -0.01 -0.37 0.05 0.45 -0.55 0.00 0.00 175.29 174.87 2r2r s SER 92 N 1.72 0.12 0.00 6.67 0.15 -1.26 -5.02 113.70 116.09 2r2r s SER 92 Ca 0.03 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 56.58 2r2r s SER 92 Cb -0.14 0.15 1.00 0.00 -1.71 0.00 0.00 66.02 65.32 2r2r s SER 92 CO -0.08 -0.31 1.73 -0.81 1.20 0.00 0.00 173.24 174.97 2r2r n PRO 93 N 1.63 0.06 -3.95 5.44 -0.04 -1.26 -4.70 135.00 132.19 2r2r n PRO 93 Ca -0.23 0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 63.01 2r2r n PRO 93 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2r2r n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2r2r s TRP 94 N -2.92 3.49 -0.28 0.54 0.52 -1.26 -3.97 118.94 115.05 2r2r s TRP 94 Ca 0.13 0.33 -0.16 0.00 0.02 0.00 0.00 56.10 56.41 2r2r s TRP 94 Cb 0.15 -1.81 0.10 0.00 -1.15 0.00 0.00 33.47 30.76 2r2r s TRP 94 CO 0.40 0.63 0.77 1.21 0.02 0.00 0.00 176.95 179.98 2r2r s ASN 95 N -1.86 -0.82 0.13 2.95 2.47 -0.71 -4.53 114.94 112.57 2r2r s ASN 95 Ca 0.26 1.32 0.08 0.00 0.42 0.00 0.00 52.86 54.94 2r2r s ASN 95 Cb -0.12 1.34 -0.04 0.00 -1.45 0.00 0.00 41.25 40.98 2r2r s ASN 95 CO 0.17 -0.21 -0.19 0.42 -3.72 0.00 0.00 177.10 173.57 2r2r s THR 96 N 1.53 1.72 0.38 -5.21 -4.23 -0.72 -0.13 115.64 108.98 2r2r s THR 96 Ca -0.10 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.48 2r2r s THR 96 Cb -0.05 -1.66 -0.10 0.00 1.34 0.00 0.00 72.50 72.03 2r2r s THR 96 CO -0.18 -0.19 0.97 -2.16 -0.54 0.00 0.00 174.62 172.52 2r2r s PRO 97 N -2.30 4.36 -0.04 3.99 0.04 -1.26 -4.33 135.00 135.45 2r2r s PRO 97 Ca 0.10 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 2r2r s PRO 97 Cb -0.08 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 2r2r s PRO 97 CO 0.05 0.07 0.39 -1.17 0.04 0.00 0.00 177.00 176.39 2r2r s LEU 98 N -2.58 4.41 -0.14 -3.56 2.96 -1.26 -1.52 118.68 117.00 2r2r s LEU 98 Ca 0.56 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.32 2r2r s LEU 98 Cb -0.16 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 2r2r s LEU 98 CO 0.21 0.25 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.63 2r2r s LEU 99 N -0.62 2.87 -0.63 -0.68 1.43 0.27 -4.78 118.68 116.55 2r2r s LEU 99 Ca 0.23 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 2r2r s LEU 99 Cb -0.16 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.46 2r2r s LEU 99 CO 0.11 0.17 0.99 -2.84 0.23 0.00 0.00 176.35 175.01 2r2r s PRO 100 N 0.36 3.19 -0.20 1.29 0.02 -1.26 -0.59 135.00 137.81 2r2r s PRO 100 Ca -0.09 -0.58 -0.07 0.00 0.02 0.00 0.00 61.00 60.28 2r2r s PRO 100 Cb -0.15 -4.16 -0.03 0.00 0.02 0.00 0.00 34.50 30.17 2r2r s PRO 100 CO 0.05 -1.74 0.04 0.08 -0.33 0.00 0.00 177.00 175.10 2r2r s VAL 101 N 4.20 4.42 -0.47 3.83 1.01 -0.72 -4.91 120.40 127.76 2r2r s VAL 101 Ca 0.26 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2r2r s VAL 101 Cb -0.15 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.33 2r2r s VAL 101 CO 0.14 0.42 0.36 -1.59 0.00 0.00 0.00 175.10 174.43 2r2r s LYS 102 N 0.81 2.71 0.30 2.72 -2.85 -1.26 -1.02 119.74 121.15 2r2r s LYS 102 Ca 0.02 -1.59 0.04 0.00 -1.00 0.00 0.00 55.97 53.45 2r2r s LYS 102 Cb -0.14 -4.00 0.77 0.00 -2.06 0.00 0.00 37.83 32.41 2r2r s LYS 102 CO 0.02 -1.12 1.66 0.87 0.10 0.00 0.00 175.35 176.88 2r2r h LYS 103 N 8.59 0.27 0.00 1.78 1.79 -1.87 -3.41 116.57 123.71 2r2r h LYS 103 Ca -0.25 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2r2r h LYS 103 Cb 1.09 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2r2r h LYS 103 CO 0.87 0.18 0.00 -2.30 -1.08 0.00 0.00 179.45 177.12 2r2r n PRO 104 N -5.15 1.10 -0.00 3.15 -0.02 -1.26 -4.95 135.00 127.87 2r2r n PRO 104 Ca 0.23 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 2r2r n PRO 104 Cb 0.72 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 34.09 2r2r n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2r n GLY 105 N 1.90 -1.02 1.54 -1.23 0.00 -1.26 -4.69 105.19 100.42 2r2r n GLY 105 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 2r2r n GLY 105 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2r2r n THR 106 N -1.68 0.00 -2.47 2.61 5.66 -1.26 -5.13 114.28 112.00 2r2r n THR 106 Ca 0.02 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2r2r n THR 106 Cb 0.39 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 2r2r n THR 106 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2r2r n ASN 107 N -0.08 0.80 -3.74 1.09 3.02 -1.26 -5.10 115.26 109.98 2r2r n ASN 107 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.14 2r2r n ASN 107 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2r2r n ASN 107 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2r2r n ASP 108 N 0.00 -1.17 -5.00 6.41 5.68 -1.26 -4.78 116.55 116.42 2r2r n ASP 108 Ca 0.00 0.94 -0.18 0.00 -0.50 0.00 0.00 54.79 55.05 2r2r n ASP 108 Cb 0.00 -0.80 0.02 0.00 -1.14 0.00 0.00 41.12 39.20 2r2r n ASP 108 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2r2r s TYR 109 N -0.89 2.55 -0.18 2.11 1.51 -1.26 -3.70 117.35 117.49 2r2r s TYR 109 Ca 0.54 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 56.01 2r2r s TYR 109 Cb -0.77 -2.40 0.05 0.00 -0.11 0.00 0.00 41.96 38.72 2r2r s TYR 109 CO 0.48 -0.62 0.51 1.03 -1.11 0.00 0.00 175.55 175.84 2r2r s ARG 110 N -4.46 0.61 -0.06 -0.62 0.52 -0.19 -4.73 118.95 110.01 2r2r s ARG 110 Ca 0.57 0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 56.14 2r2r s ARG 110 Cb -0.09 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 2r2r s ARG 110 CO 0.35 -0.08 1.02 -1.25 0.02 0.00 0.00 175.30 175.35 2r2r s PRO 111 N 0.17 4.47 -0.17 3.54 0.04 -1.26 -1.76 135.00 140.02 2r2r s PRO 111 Ca -0.01 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.48 2r2r s PRO 111 Cb -0.03 -3.51 0.03 0.00 0.04 0.00 0.00 34.50 31.03 2r2r s PRO 111 CO 0.01 -0.23 -0.15 0.08 0.04 0.00 0.00 177.00 176.76 2r2r s VAL 112 N 1.62 1.76 -0.05 -0.36 1.01 0.25 -4.94 120.40 119.68 2r2r s VAL 112 Ca 0.51 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2r2r s VAL 112 Cb -0.20 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2r2r s VAL 112 CO 0.22 0.40 0.55 -1.58 0.00 0.00 0.00 175.10 174.69 2r2r s GLN 113 N 1.39 4.31 -0.97 2.72 0.74 -1.26 0.97 119.66 127.56 2r2r s GLN 113 Ca 0.03 0.63 -0.19 0.00 0.05 0.00 0.00 55.36 55.88 2r2r s GLN 113 Cb -0.14 -3.38 0.12 0.00 1.10 0.00 0.00 33.01 30.71 2r2r s GLN 113 CO -0.11 0.28 1.20 0.34 -0.55 0.00 0.00 175.29 176.46 2r2r s ASP 114 N 0.15 6.65 -0.02 6.67 2.15 -0.57 -4.82 116.67 126.88 2r2r s ASP 114 Ca 0.30 -2.05 0.10 0.00 0.43 0.00 0.00 52.55 51.32 2r2r s ASP 114 Cb -0.17 -2.42 0.31 0.00 -0.30 0.00 0.00 42.92 40.34 2r2r s ASP 114 CO 0.15 -1.10 1.22 0.18 -0.17 0.00 0.00 175.17 175.45 2r2r n LEU 115 N 6.80 2.03 -0.32 -1.34 4.77 -1.26 -4.35 117.00 123.33 2r2r n LEU 115 Ca 0.26 -1.02 0.03 0.00 -0.03 0.00 0.00 56.01 55.26 2r2r n LEU 115 Cb 0.49 -0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.47 2r2r n LEU 115 CO 0.54 0.45 1.19 0.03 -1.33 0.00 0.00 177.39 178.27 2r2r h ARG 116 N 1.96 0.91 0.00 3.23 3.08 -1.88 0.23 114.38 121.92 2r2r h ARG 116 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2r2r h ARG 116 Cb 0.57 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2r2r h ARG 116 CO 0.04 0.60 -0.26 0.93 -1.07 0.00 0.00 179.97 180.21 2r2r h GLU 117 N 0.94 0.00 0.04 0.04 4.39 -2.00 -2.08 114.58 115.90 2r2r h GLU 117 Ca 0.41 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.95 2r2r h GLU 117 Cb 0.30 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2r2r h GLU 117 CO -0.22 0.26 -0.68 0.28 -1.16 0.00 0.00 179.01 177.50 2r2r h VAL 118 N 0.00 1.44 -0.83 3.13 2.07 -1.57 -3.23 116.25 117.26 2r2r h VAL 118 Ca -0.00 -2.20 0.11 0.00 0.82 0.00 0.00 66.70 65.42 2r2r h VAL 118 Cb 0.76 2.74 -0.06 0.00 -1.52 0.00 0.00 31.29 33.22 2r2r h VAL 118 CO 0.03 0.64 0.54 0.78 0.02 0.00 0.00 177.57 179.58 2r2r h ASN 119 N -0.15 0.67 0.35 0.57 2.35 -0.32 -0.51 115.58 118.55 2r2r h ASN 119 Ca -0.09 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2r2r h ASN 119 Cb 1.41 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 2r2r h ASN 119 CO 0.13 0.39 -0.22 0.11 -1.65 0.00 0.00 177.43 176.19 2r2r h LYS 120 N 0.74 0.00 -0.01 0.81 1.57 -1.42 -3.01 116.57 115.25 2r2r h LYS 120 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2r2r h LYS 120 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2r2r h LYS 120 CO -0.16 0.22 -0.42 0.54 -0.57 0.00 0.00 179.45 179.06 2r2r n ARG 121 N -3.93 0.82 -3.41 3.15 1.74 -0.24 -4.90 116.66 109.89 2r2r n ARG 121 Ca -0.02 -0.59 -0.38 0.00 -0.77 0.00 0.00 57.85 56.10 2r2r n ARG 121 Cb 0.30 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2r2r n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r2r s VAL 122 N -2.58 4.92 0.19 1.55 1.01 -0.99 -1.11 120.40 123.38 2r2r s VAL 122 Ca 0.20 0.95 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 2r2r s VAL 122 Cb 0.18 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 2r2r s VAL 122 CO 0.58 0.53 1.42 -0.70 0.00 0.00 0.00 175.10 176.93 2r2r s GLU 123 N -1.22 4.30 0.62 2.72 2.56 -0.53 -4.60 118.70 122.55 2r2r s GLU 123 Ca 0.27 2.19 -0.17 0.00 0.00 0.00 0.00 54.97 57.26 2r2r s GLU 123 Cb -0.17 -3.17 -0.02 0.00 2.00 0.00 0.00 34.13 32.76 2r2r s GLU 123 CO 0.16 -0.42 1.14 -0.51 -0.56 0.00 0.00 175.26 175.07 2r2r s ASP 124 N 0.70 5.25 0.19 -1.70 1.01 -1.26 -4.92 116.67 115.93 2r2r s ASP 124 Ca 0.62 2.15 0.07 0.00 0.71 0.00 0.00 52.55 56.10 2r2r s ASP 124 Cb -0.40 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 40.92 2r2r s ASP 124 CO 0.36 -1.54 -0.13 0.27 0.21 0.00 0.00 175.17 174.34 2r2r s ILE 125 N -2.00 1.59 0.22 0.77 -4.36 -1.26 -5.11 121.20 111.04 2r2r s ILE 125 Ca 0.71 -2.15 -0.30 0.00 -0.26 0.00 0.00 60.65 58.64 2r2r s ILE 125 Cb -0.24 -1.98 -0.09 0.00 1.25 0.00 0.00 42.46 41.40 2r2r s ILE 125 CO 0.35 -0.62 1.40 -2.28 0.24 0.00 0.00 174.94 174.03 2r2r s HIS 126 N -3.01 3.12 -0.80 1.37 5.65 -1.26 -4.91 115.29 115.44 2r2r s HIS 126 Ca 0.20 1.05 -0.25 0.00 0.25 0.00 0.00 55.06 56.31 2r2r s HIS 126 Cb -0.00 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.66 2r2r s HIS 126 CO 0.05 -2.44 1.62 -2.14 -0.65 0.00 0.00 174.74 171.19 2r2r s PRO 127 N -0.05 2.99 0.00 2.88 0.02 -1.26 -4.82 135.00 134.76 2r2r s PRO 127 Ca 0.60 -0.22 0.26 0.00 0.02 0.00 0.00 61.00 61.66 2r2r s PRO 127 Cb -0.40 -4.70 0.77 0.00 0.02 0.00 0.00 34.50 30.19 2r2r s PRO 127 CO 0.40 -2.59 1.57 0.25 -0.33 0.00 0.00 177.00 176.30 2r2r n THR 128 N 7.05 0.00 -2.50 0.99 -2.24 -1.26 -4.85 114.28 111.48 2r2r n THR 128 Ca 0.23 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2r2r n THR 128 Cb 0.50 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 2r2r n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2r2r s VAL 129 N -2.37 4.33 0.50 2.28 1.01 -1.26 -5.00 120.40 119.89 2r2r s VAL 129 Ca 0.27 1.56 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 2r2r s VAL 129 Cb 0.20 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2r2r s VAL 129 CO 0.48 -0.33 1.23 -2.16 0.00 0.00 0.00 175.10 174.32 2r2r s PRO 130 N 3.72 3.46 0.50 2.72 0.04 -1.26 -4.98 135.00 139.20 2r2r s PRO 130 Ca 0.52 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 63.28 2r2r s PRO 130 Cb -0.17 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 2r2r s PRO 130 CO 0.16 -0.84 1.11 0.54 0.04 0.00 0.00 177.00 178.02 2r2r s ASN 131 N -1.26 6.06 0.26 6.66 2.20 -1.26 -4.79 114.94 122.81 2r2r s ASN 131 Ca 0.68 2.15 -0.05 0.00 -0.94 0.00 0.00 52.86 54.69 2r2r s ASN 131 Cb -0.32 -2.58 0.51 0.00 -2.00 0.00 0.00 41.25 36.85 2r2r s ASN 131 CO 0.39 -0.98 1.61 -0.65 -2.94 0.00 0.00 177.10 174.52 2r2r h PRO 132 N 1.62 0.05 -0.10 3.55 0.11 -1.97 -1.54 132.00 133.72 2r2r h PRO 132 Ca -0.50 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2r2r h PRO 132 Cb 1.25 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 2r2r h PRO 132 CO 0.59 0.04 -0.26 -0.92 -0.21 0.00 0.00 178.00 177.23 2r2r h TYR 133 N 0.05 -0.70 -0.45 0.65 5.03 -1.97 -0.47 116.97 119.11 2r2r h TYR 133 Ca 0.46 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.74 2r2r h TYR 133 Cb 0.84 0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 2r2r h TYR 133 CO -0.51 -0.35 0.03 -0.91 -1.32 0.00 0.00 178.16 175.11 2r2r h ASN 134 N -0.35 0.68 -0.39 -2.11 2.35 -1.77 -2.68 115.58 111.31 2r2r h ASN 134 Ca 0.09 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2r2r h ASN 134 Cb 0.48 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2r2r h ASN 134 CO -0.30 0.73 0.26 0.25 -1.65 0.00 0.00 177.43 176.72 2r2r h LEU 135 N 0.68 0.44 -1.87 1.61 5.85 -0.55 -2.19 115.31 119.29 2r2r h LEU 135 Ca 0.14 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2r2r h LEU 135 Cb 0.37 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2r2r h LEU 135 CO 0.01 0.32 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.24 2r2r h LEU 136 N 0.53 0.00 0.00 2.25 -0.00 -0.80 -1.72 115.31 115.57 2r2r h LEU 136 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2r2r h LEU 136 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2r2r h LEU 136 CO -0.04 0.13 0.02 -1.54 -0.00 0.00 0.00 178.44 177.01 2r2r n SER 137 N -4.05 0.00 -1.38 -0.43 3.41 -0.82 -0.43 113.62 109.92 2r2r n SER 137 Ca -0.02 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 2r2r n SER 137 Cb 0.21 -0.43 0.29 0.00 -0.26 0.00 0.00 64.21 64.02 2r2r n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r2r n GLY 138 N -1.42 2.27 3.39 5.00 0.00 -0.65 -4.84 105.19 108.94 2r2r n GLY 138 Ca 0.00 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2r2r n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r2r s LEU 139 N -1.69 5.26 0.52 0.99 1.43 0.43 -5.03 118.68 120.59 2r2r s LEU 139 Ca 0.41 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.14 2r2r s LEU 139 Cb 0.27 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 2r2r s LEU 139 CO 0.18 -0.53 1.16 -2.84 0.23 0.00 0.00 176.35 174.55 2r2r s PRO 140 N 1.61 3.43 0.34 1.29 0.02 -1.26 -4.95 135.00 135.47 2r2r s PRO 140 Ca 0.04 1.72 0.05 0.00 0.02 0.00 0.00 61.00 62.83 2r2r s PRO 140 Cb -0.22 -2.14 0.61 0.00 0.02 0.00 0.00 34.50 32.78 2r2r s PRO 140 CO 0.07 -0.81 1.87 -1.35 -0.33 0.00 0.00 177.00 176.45 2r2r h PRO 141 N 1.45 0.49 -0.67 5.54 0.11 -1.98 -3.12 132.00 133.82 2r2r h PRO 141 Ca -0.50 -0.11 0.11 0.00 0.11 0.00 0.00 66.00 65.61 2r2r h PRO 141 Cb 1.26 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2r2r h PRO 141 CO 0.58 0.54 0.45 0.66 -0.21 0.00 0.00 178.00 180.01 2r2r h SER 142 N 0.47 0.42 -2.78 -2.05 4.64 -1.97 -3.38 113.55 108.89 2r2r h SER 142 Ca 0.10 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.76 2r2r h SER 142 Cb 0.35 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 62.20 2r2r h SER 142 CO 0.01 0.24 0.33 -1.00 -0.87 0.00 0.00 176.83 175.55 2r2r s HIS 143 N -5.43 2.85 -0.38 4.77 3.76 -1.18 -4.51 115.29 115.16 2r2r s HIS 143 Ca -0.08 -0.79 0.22 0.00 -0.15 0.00 0.00 55.06 54.26 2r2r s HIS 143 Cb 0.20 -4.15 -0.11 0.00 1.11 0.00 0.00 32.58 29.63 2r2r s HIS 143 CO 0.76 -1.46 0.85 1.04 -0.85 0.00 0.00 174.74 175.07 2r2r n GLN 144 N 6.96 0.44 -3.33 1.40 1.13 -0.94 -4.67 117.38 118.37 2r2r n GLN 144 Ca -0.06 -0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.55 2r2r n GLN 144 Cb 0.44 -1.61 -0.09 0.00 0.11 0.00 0.00 30.24 29.09 2r2r n GLN 144 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2r2r s TRP 145 N -3.32 3.20 0.23 1.08 0.52 -0.67 -4.43 118.94 115.56 2r2r s TRP 145 Ca -0.00 0.14 0.11 0.00 0.02 0.00 0.00 56.10 56.37 2r2r s TRP 145 Cb 0.13 -2.76 -0.05 0.00 -1.15 0.00 0.00 33.47 29.65 2r2r s TRP 145 CO 0.84 -0.44 -0.17 0.71 0.02 0.00 0.00 176.95 177.90 2r2r s TYR 146 N 2.19 2.40 -0.03 -1.98 1.51 0.15 -0.37 117.35 121.23 2r2r s TYR 146 Ca 0.15 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 2r2r s TYR 146 Cb -0.16 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2r2r s TYR 146 CO 0.12 0.60 -0.06 0.99 -1.11 0.00 0.00 175.55 176.09 2r2r s THR 147 N -2.06 0.55 -0.11 -0.71 2.01 0.36 -1.07 115.64 114.60 2r2r s THR 147 Ca 0.26 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2r2r s THR 147 Cb -0.07 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 71.93 2r2r s THR 147 CO 0.14 0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.41 2r2r s VAL 148 N 0.43 1.59 0.00 3.82 1.01 0.27 -0.47 120.40 127.06 2r2r s VAL 148 Ca -0.06 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2r2r s VAL 148 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2r2r s VAL 148 CO 0.00 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.63 2r2r s LEU 149 N 0.85 2.07 -0.16 3.92 1.43 -0.21 -1.33 118.68 125.24 2r2r s LEU 149 Ca -0.09 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2r2r s LEU 149 Cb -0.15 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.21 2r2r s LEU 149 CO 0.00 0.18 -0.17 -1.81 0.23 0.00 0.00 176.35 174.79 2r2r s ASP 150 N -0.61 3.48 -0.12 2.29 1.11 -1.26 -0.53 116.67 121.03 2r2r s ASP 150 Ca 0.06 -0.53 -0.29 0.00 0.18 0.00 0.00 52.55 51.96 2r2r s ASP 150 Cb -0.07 -1.53 -0.01 0.00 1.07 0.00 0.00 42.92 42.38 2r2r s ASP 150 CO -0.00 0.05 1.03 -0.76 1.18 0.00 0.00 175.17 176.68 2r2r s LEU 151 N 0.99 4.22 0.12 1.23 1.43 -0.37 -0.65 118.68 125.64 2r2r s LEU 151 Ca -0.02 1.53 -0.28 0.00 -1.03 0.00 0.00 54.13 54.33 2r2r s LEU 151 Cb -0.15 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 2r2r s LEU 151 CO -0.04 -0.50 0.90 -0.75 0.23 0.00 0.00 176.35 176.19 2r2r s LYS 152 N 2.25 4.66 -1.27 1.70 2.47 0.16 -3.96 119.74 125.75 2r2r s LYS 152 Ca 0.48 1.34 -0.14 0.00 -1.56 0.00 0.00 55.97 56.09 2r2r s LYS 152 Cb -0.18 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 2r2r s LYS 152 CO 0.16 0.30 0.60 -0.25 0.16 0.00 0.00 175.35 176.33 2r2r n ASP 153 N 2.51 -3.00 0.34 1.43 8.00 -1.26 -4.64 116.55 119.93 2r2r n ASP 153 Ca -0.00 -1.07 -0.18 0.00 0.71 0.00 0.00 54.79 54.26 2r2r n ASP 153 Cb 0.49 -2.94 -0.09 0.00 -0.02 0.00 0.00 41.12 38.57 2r2r n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r2r h ALA 154 N 0.95 -0.91 -0.98 2.24 0.00 -1.92 -3.10 119.26 115.53 2r2r h ALA 154 Ca -0.66 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.20 2r2r h ALA 154 Cb 1.37 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.49 2r2r h ALA 154 CO 0.55 -1.02 0.60 0.74 0.00 0.00 0.00 179.25 180.12 2r2r h PHE 155 N -0.90 1.08 0.00 0.00 0.04 -1.90 -0.37 116.94 114.89 2r2r h PHE 155 Ca -0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2r2r h PHE 155 Cb 0.72 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2r2r h PHE 155 CO -0.08 0.38 0.00 1.19 -0.60 0.00 0.00 178.31 179.21 2r2r n PHE 156 N -4.68 0.77 0.40 -0.55 3.72 -1.18 -1.25 117.46 114.71 2r2r n PHE 156 Ca 0.19 0.36 0.13 0.00 -0.05 0.00 0.00 57.45 58.09 2r2r n PHE 156 Cb 0.40 -1.09 0.40 0.00 -0.94 0.00 0.00 39.48 38.25 2r2r n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r2r s LEU 158 N -5.30 4.15 0.43 0.00 1.43 -0.38 -0.39 118.68 118.62 2r2r s LEU 158 Ca 0.07 0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.27 2r2r s LEU 158 Cb 0.09 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 2r2r s LEU 158 CO 0.57 0.02 0.99 -0.13 0.23 0.00 0.00 176.35 178.03 2r2r s ARG 159 N 1.04 4.12 -0.17 1.70 0.52 -1.26 -0.81 118.95 124.09 2r2r s ARG 159 Ca 0.13 1.26 -0.07 0.00 -0.52 0.00 0.00 55.73 56.53 2r2r s ARG 159 Cb -0.14 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2r2r s ARG 159 CO 0.05 -0.14 0.06 -0.51 0.02 0.00 0.00 175.30 174.78 2r2r s LEU 160 N -3.11 3.82 0.45 2.53 1.43 0.34 -0.53 118.68 123.61 2r2r s LEU 160 Ca 0.62 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.58 2r2r s LEU 160 Cb -0.14 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.05 2r2r s LEU 160 CO 0.18 0.21 1.40 -2.28 0.23 0.00 0.00 176.35 176.08 2r2r s HIS 161 N 0.15 2.50 0.60 0.29 5.65 1.00 -4.67 115.29 120.81 2r2r s HIS 161 Ca 0.04 1.30 0.29 0.00 0.25 0.00 0.00 55.06 56.95 2r2r s HIS 161 Cb -0.12 -3.86 1.61 0.00 -1.18 0.00 0.00 32.58 29.02 2r2r s HIS 161 CO 0.01 -2.78 2.01 -1.35 -0.65 0.00 0.00 174.74 171.98 2r2r h PRO 162 N 2.27 0.00 0.00 2.88 0.11 -1.95 0.16 132.00 135.47 2r2r h PRO 162 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2r2r h PRO 162 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2r2r h PRO 162 CO 0.61 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.36 2r2r h THR 163 N 0.00 0.07 0.00 -1.15 1.03 -1.93 -3.24 112.91 107.70 2r2r h THR 163 Ca 0.12 -0.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.67 2r2r h THR 163 Cb 0.75 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 2r2r h THR 163 CO -0.00 0.03 -1.79 -1.20 -0.01 0.00 0.00 175.52 172.55 2r2r n SER 164 N -3.12 0.32 -0.28 0.00 7.64 -0.01 -4.59 113.62 113.58 2r2r n SER 164 Ca 0.02 -0.17 0.04 0.00 1.01 0.00 0.00 58.87 59.78 2r2r n SER 164 Cb 0.44 1.80 0.18 0.00 -1.01 0.00 0.00 64.21 65.62 2r2r n SER 164 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2r2r h GLN 165 N 0.00 0.65 -0.08 1.43 4.20 -1.45 -2.63 115.11 117.24 2r2r h GLN 165 Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2r2r h GLN 165 Cb 0.88 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2r2r h GLN 165 CO 0.00 0.43 0.12 -1.35 -0.67 0.00 0.00 178.83 177.37 2r2r h PRO 166 N 0.67 0.00 -0.52 1.46 0.11 -1.81 -2.68 132.00 129.24 2r2r h PRO 166 Ca 0.41 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.59 2r2r h PRO 166 Cb 0.48 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 2r2r h PRO 166 CO -0.30 0.00 0.35 1.25 -0.21 0.00 0.00 178.00 179.09 2r2r h LEU 167 N 0.00 0.38 -3.61 2.35 5.85 -1.78 -3.03 115.31 115.46 2r2r h LEU 167 Ca 0.04 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 2r2r h LEU 167 Cb 0.28 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.11 2r2r h LEU 167 CO -0.00 0.25 0.20 0.49 -0.34 0.00 0.00 178.44 179.04 2r2r n PHE 168 N -4.47 2.02 -2.26 1.25 3.72 -1.01 -4.73 117.46 111.98 2r2r n PHE 168 Ca 0.07 -1.28 -0.35 0.00 -0.05 0.00 0.00 57.45 55.84 2r2r n PHE 168 Cb 0.27 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 2r2r n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r2r s ALA 169 N -3.05 2.70 0.18 4.37 0.00 -1.15 -4.42 121.76 120.40 2r2r s ALA 169 Ca 0.51 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 2r2r s ALA 169 Cb 0.42 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2r2r s ALA 169 CO 0.10 -0.77 0.28 -0.59 0.00 0.00 0.00 175.76 174.78 2r2r s PHE 170 N -1.79 0.54 0.08 0.00 -0.71 -0.37 -1.76 117.98 113.97 2r2r s PHE 170 Ca 0.72 -0.88 -0.16 0.00 -1.04 0.00 0.00 56.93 55.57 2r2r s PHE 170 Cb -0.24 -0.11 -0.06 0.00 -1.21 0.00 0.00 43.02 41.40 2r2r s PHE 170 CO 0.27 -0.75 0.52 -2.00 -1.34 0.00 0.00 175.22 171.92 2r2r s GLU 171 N -4.01 4.05 -0.11 1.99 2.56 -1.26 -0.91 118.70 121.00 2r2r s GLU 171 Ca 0.22 0.56 -0.11 0.00 0.00 0.00 0.00 54.97 55.64 2r2r s GLU 171 Cb 0.03 -3.14 0.03 0.00 2.00 0.00 0.00 34.13 33.06 2r2r s GLU 171 CO 0.04 0.60 0.31 -0.46 -0.56 0.00 0.00 175.26 175.19 2r2r s TRP 172 N -1.22 -0.33 0.24 5.30 -0.11 0.27 -4.90 118.94 118.19 2r2r s TRP 172 Ca 0.30 0.79 -0.14 0.00 1.22 0.00 0.00 56.10 58.28 2r2r s TRP 172 Cb -0.17 0.11 0.00 0.00 -1.50 0.00 0.00 33.47 31.91 2r2r s TRP 172 CO 0.18 -0.18 0.49 1.03 -4.62 0.00 0.00 176.95 173.84 2r2r s ARG 173 N 0.07 1.51 -0.30 5.86 3.00 -1.26 -4.18 118.95 123.64 2r2r s ARG 173 Ca -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 55.73 54.52 2r2r s ARG 173 Cb -0.02 0.48 0.11 0.00 0.00 0.00 0.00 34.95 35.51 2r2r s ARG 173 CO 0.01 -0.63 0.15 0.34 0.00 0.00 0.00 175.30 175.16 2r2r s ASP 174 N -2.99 3.42 0.12 0.23 -1.08 -1.26 -4.95 116.67 110.16 2r2r s ASP 174 Ca 0.19 -1.48 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 2r2r s ASP 174 Cb -0.01 -0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.09 2r2r s ASP 174 CO 0.07 -0.41 0.42 -2.65 0.52 0.00 0.00 175.17 173.12 2r2r n PRO 175 N 5.00 0.01 -3.44 4.34 -0.02 -1.26 -2.32 135.00 137.31 2r2r n PRO 175 Ca -0.02 0.17 -0.27 0.00 -2.02 0.00 0.00 63.50 61.36 2r2r n PRO 175 Cb 0.41 -1.43 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 2r2r n PRO 175 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2r2r s GLU 176 N -1.78 0.60 0.29 -0.52 2.02 -1.26 -5.08 118.70 112.97 2r2r s GLU 176 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2r2r s GLU 176 Cb 0.00 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.00 2r2r s GLU 176 CO 0.00 -1.23 0.00 -0.12 0.02 0.00 0.00 175.26 173.93 2r2r n MET 177 N 3.91 -2.27 -0.46 1.61 0.00 -0.98 -5.10 117.12 113.83 2r2r n MET 177 Ca 0.14 1.72 0.00 0.00 -0.00 0.00 0.00 57.70 59.56 2r2r n MET 177 Cb 0.39 -2.03 0.00 0.00 0.00 0.00 0.00 33.22 31.58 2r2r n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2r2r n GLY 178 N -1.45 -0.53 3.81 -5.12 0.00 -1.26 -4.21 105.19 96.43 2r2r n GLY 178 Ca 0.00 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2r2r n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r2r s ILE 179 N -3.88 4.60 0.06 -0.61 1.01 -1.26 -4.99 121.20 116.13 2r2r s ILE 179 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 2r2r s ILE 179 Cb 0.00 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2r2r s ILE 179 CO 0.00 0.29 1.16 -0.24 0.00 0.00 0.00 174.94 176.14 2r2r n SER 180 N 0.94 -0.41 0.00 3.58 2.88 -1.26 -4.68 113.62 114.68 2r2r n SER 180 Ca -0.04 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2r2r n SER 180 Cb 0.51 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2r2r n SER 180 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r2r n GLY 181 N -1.10 -1.87 3.91 0.46 0.00 -1.26 -4.98 105.19 100.35 2r2r n GLY 181 Ca 0.01 0.48 -0.31 0.00 0.00 0.00 0.00 46.02 46.20 2r2r n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r2r s GLN 182 N -1.02 3.52 0.16 1.61 -0.21 -1.25 0.93 119.66 123.41 2r2r s GLN 182 Ca 0.00 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.15 2r2r s GLN 182 Cb 0.00 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 2r2r s GLN 182 CO 0.00 0.54 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.09 2r2r s LEU 183 N -2.62 2.53 0.28 2.90 1.43 -0.09 -1.83 118.68 121.28 2r2r s LEU 183 Ca 0.38 -1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 2r2r s LEU 183 Cb -0.12 -0.41 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 2r2r s LEU 183 CO 0.27 -0.30 0.46 0.28 0.23 0.00 0.00 176.35 177.28 2r2r s THR 184 N -3.25 0.00 0.17 5.49 -1.32 -0.41 -1.23 115.64 115.08 2r2r s THR 184 Ca 0.18 -1.51 -0.12 0.00 -1.21 0.00 0.00 61.69 59.04 2r2r s THR 184 Cb 0.02 -2.41 -0.07 0.00 -1.51 0.00 0.00 72.50 68.53 2r2r s THR 184 CO 0.02 0.00 0.52 0.26 -2.21 0.00 0.00 174.62 173.21 2r2r s TRP 185 N -3.63 3.53 -1.46 9.09 0.52 -1.26 -1.59 118.94 124.15 2r2r s TRP 185 Ca 0.26 0.93 0.12 0.00 0.02 0.00 0.00 56.10 57.43 2r2r s TRP 185 Cb -0.00 -2.28 0.11 0.00 -1.15 0.00 0.00 33.47 30.14 2r2r s TRP 185 CO 0.13 0.39 0.90 0.25 0.02 0.00 0.00 176.95 178.63 2r2r n THR 186 N 0.46 0.05 -4.32 2.01 -2.24 -0.47 -4.66 114.28 105.11 2r2r n THR 186 Ca -0.04 -0.53 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 2r2r n THR 186 Cb 0.52 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.86 2r2r n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2r2r s ARG 187 N -0.99 1.26 -0.07 -0.78 1.81 -1.26 -0.50 118.95 118.42 2r2r s ARG 187 Ca 0.14 -1.59 -0.33 0.00 -1.72 0.00 0.00 55.73 52.23 2r2r s ARG 187 Cb 0.10 -0.78 -0.11 0.00 -0.45 0.00 0.00 34.95 33.71 2r2r s ARG 187 CO 0.15 0.04 1.93 -0.11 -0.68 0.00 0.00 175.30 176.62 2r2r n LEU 188 N -0.35 3.61 -4.91 2.53 7.94 0.01 -4.70 117.00 121.12 2r2r n LEU 188 Ca -0.08 0.92 -0.27 0.00 -1.11 0.00 0.00 56.01 55.47 2r2r n LEU 188 Cb 0.62 -1.41 0.01 0.00 0.53 0.00 0.00 43.42 43.17 2r2r n LEU 188 CO 0.35 -0.02 0.48 -2.16 -1.11 0.00 0.00 177.39 174.94 2r2r s PRO 189 N 4.32 3.26 0.47 1.96 0.04 -1.26 -3.86 135.00 139.93 2r2r s PRO 189 Ca 0.93 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 2r2r s PRO 189 Cb -0.62 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 2r2r s PRO 189 CO 0.49 -0.43 1.04 -0.65 0.04 0.00 0.00 177.00 177.48 2r2r s GLN 190 N -4.86 3.86 0.00 4.56 -1.52 -1.26 -3.53 119.66 116.91 2r2r s GLN 190 Ca 0.50 1.37 0.00 0.00 -1.95 0.00 0.00 55.36 55.28 2r2r s GLN 190 Cb -0.10 -2.14 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 2r2r s GLN 190 CO 0.45 -0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.52 2r2r n GLY 191 N -0.21 1.85 3.68 3.09 0.00 -1.26 -4.86 105.19 107.49 2r2r n GLY 191 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2r2r n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2r2r s PHE 192 N -2.55 3.48 0.52 1.61 5.36 -1.23 -4.59 117.98 120.58 2r2r s PHE 192 Ca 0.00 1.32 0.27 0.00 -0.96 0.00 0.00 56.93 57.56 2r2r s PHE 192 Cb 0.00 -3.00 1.38 0.00 -0.34 0.00 0.00 43.02 41.07 2r2r s PHE 192 CO 0.00 -0.15 1.92 1.57 -1.46 0.00 0.00 175.22 177.10 2r2r h LYS 193 N 7.15 0.07 -0.02 10.12 2.10 -1.92 -1.97 116.57 132.10 2r2r h LYS 193 Ca -0.33 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2r2r h LYS 193 Cb 1.15 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2r2r h LYS 193 CO 0.81 0.05 -0.11 0.09 -2.00 0.00 0.00 179.45 178.29 2r2r n ASN 194 N -4.35 2.18 -0.13 7.07 3.02 -1.26 -4.51 115.26 117.28 2r2r n ASN 194 Ca 0.15 -1.65 -0.05 0.00 -0.03 0.00 0.00 54.58 53.01 2r2r n ASN 194 Cb 0.79 0.10 0.04 0.00 -0.61 0.00 0.00 39.78 40.09 2r2r n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2r2r h SER 195 N 3.25 0.15 -0.19 6.41 0.02 -1.66 -1.09 113.55 120.44 2r2r h SER 195 Ca 0.00 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2r2r h SER 195 Cb 0.76 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2r2r h SER 195 CO 0.00 0.12 0.02 -0.65 -1.14 0.00 0.00 176.83 175.18 2r2r h PRO 196 N 0.31 0.09 -0.25 3.45 0.11 -1.80 -0.17 132.00 133.74 2r2r h PRO 196 Ca 0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2r2r h PRO 196 Cb 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2r2r h PRO 196 CO -0.20 0.06 0.12 1.15 -0.21 0.00 0.00 178.00 178.92 2r2r h THR 197 N 0.09 1.14 -0.66 -1.15 2.02 -1.81 -1.29 112.91 111.24 2r2r h THR 197 Ca 0.09 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 2r2r h THR 197 Cb 0.09 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2r2r h THR 197 CO -0.13 0.14 0.14 -0.07 0.37 0.00 0.00 175.52 175.98 2r2r h LEU 198 N 0.27 1.01 -0.21 2.58 3.38 -1.04 -1.11 115.31 120.19 2r2r h LEU 198 Ca 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2r2r h LEU 198 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2r2r h LEU 198 CO -0.01 0.98 0.03 0.15 0.09 0.00 0.00 178.44 179.69 2r2r h PHE 199 N 1.01 0.38 -0.66 1.13 3.57 -0.90 -1.35 116.94 120.11 2r2r h PHE 199 Ca 0.21 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2r2r h PHE 199 Cb 0.38 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 2r2r h PHE 199 CO 0.03 0.50 0.36 0.22 -2.23 0.00 0.00 178.31 177.18 2r2r h ASP 200 N 0.15 0.52 -0.14 0.41 3.58 -0.99 -0.35 116.42 119.60 2r2r h ASP 200 Ca 0.06 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.41 2r2r h ASP 200 Cb 0.32 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2r2r h ASP 200 CO 0.00 0.33 -0.39 -0.33 -2.88 0.00 0.00 179.24 175.98 2r2r h GLU 201 N 0.65 0.67 -0.33 0.28 5.08 -1.14 -1.98 114.58 117.81 2r2r h GLU 201 Ca 0.30 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2r2r h GLU 201 Cb 0.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2r2r h GLU 201 CO -0.20 0.94 0.05 0.00 -1.00 0.00 0.00 179.01 178.81 2r2r h ALA 202 N 1.02 0.44 -0.21 3.43 0.00 -0.52 -2.26 119.26 121.16 2r2r h ALA 202 Ca 0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2r2r h ALA 202 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2r2r h ALA 202 CO 0.08 0.14 -0.26 1.25 0.00 0.00 0.00 179.25 180.47 2r2r h LEU 203 N 0.38 0.40 -0.99 0.00 5.85 -1.07 -1.37 115.31 118.53 2r2r h LEU 203 Ca 0.10 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2r2r h LEU 203 Cb 0.35 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2r2r h LEU 203 CO 0.01 0.66 0.07 0.45 -0.34 0.00 0.00 178.44 179.28 2r2r h HIS 204 N 0.36 0.84 -0.35 1.25 3.86 -1.17 0.31 115.15 120.24 2r2r h HIS 204 Ca 0.05 -0.09 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 2r2r h HIS 204 Cb 0.65 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2r2r h HIS 204 CO 0.02 0.74 -0.31 0.00 0.86 0.00 0.00 177.93 179.23 2r2r h ARG 205 N 0.76 0.83 0.00 2.45 3.08 -0.93 -2.11 114.38 118.46 2r2r h ARG 205 Ca 0.16 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 2r2r h ARG 205 Cb 0.37 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2r2r h ARG 205 CO 0.01 1.06 -0.32 -0.44 -1.07 0.00 0.00 179.97 179.21 2r2r h ASP 206 N 0.62 0.00 -0.27 7.04 3.32 -0.86 -3.17 116.42 123.10 2r2r h ASP 206 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2r2r h ASP 206 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2r2r h ASP 206 CO 0.08 0.32 0.00 0.18 -1.72 0.00 0.00 179.24 178.10 2r2r n LEU 207 N -3.64 3.15 -0.14 1.55 4.77 0.06 -4.53 117.00 118.23 2r2r n LEU 207 Ca -0.01 -1.39 -0.06 0.00 -0.03 0.00 0.00 56.01 54.52 2r2r n LEU 207 Cb 0.44 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2r2r n LEU 207 CO 0.36 0.65 1.01 0.00 -1.33 0.00 0.00 177.39 178.08 2r2r h ALA 208 N 4.03 0.54 -0.55 -1.18 0.00 -1.35 -2.00 119.26 118.75 2r2r h ALA 208 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2r2r h ALA 208 Cb 0.90 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2r2r h ALA 208 CO 0.00 -0.12 0.28 0.22 0.00 0.00 0.00 179.25 179.63 2r2r h ASP 209 N 0.46 0.70 -0.83 0.00 3.58 -1.81 -1.99 116.42 116.54 2r2r h ASP 209 Ca 0.18 -0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.56 2r2r h ASP 209 Cb 0.07 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 2r2r h ASP 209 CO -0.11 0.62 0.52 0.15 -2.88 0.00 0.00 179.24 177.53 2r2r h PHE 210 N 0.74 0.97 -0.79 0.28 3.04 -1.77 0.72 116.94 120.13 2r2r h PHE 210 Ca 0.19 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 2r2r h PHE 210 Cb 0.08 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.24 2r2r h PHE 210 CO -0.01 0.53 0.41 0.00 -2.02 0.00 0.00 178.31 177.21 2r2r h ARG 211 N 0.98 1.12 -0.36 1.11 3.08 -0.94 -2.01 114.38 117.36 2r2r h ARG 211 Ca 0.34 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 2r2r h ARG 211 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2r2r h ARG 211 CO -0.14 0.84 -0.21 0.82 -1.07 0.00 0.00 179.97 180.21 2r2r h ILE 212 N 1.12 1.27 -0.00 2.04 2.04 -0.48 -2.75 117.51 120.74 2r2r h ILE 212 Ca 0.28 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2r2r h ILE 212 Cb 0.07 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2r2r h ILE 212 CO -0.04 0.43 -0.00 0.00 0.00 0.00 0.00 178.15 178.53 2r2r n GLN 213 N -4.12 1.02 -3.12 2.37 3.00 0.12 -4.02 117.38 112.63 2r2r n GLN 213 Ca 0.00 -0.12 -0.19 0.00 -0.01 0.00 0.00 57.00 56.69 2r2r n GLN 213 Cb 0.41 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.12 2r2r n GLN 213 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2r2r n HIS 214 N -0.89 -0.51 -0.20 1.08 8.25 -0.81 -4.97 115.22 117.17 2r2r n HIS 214 Ca 0.22 -3.45 0.19 0.00 -0.26 0.00 0.00 57.72 54.42 2r2r n HIS 214 Cb 0.15 -0.10 0.54 0.00 1.12 0.00 0.00 29.99 31.70 2r2r n HIS 214 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2r2r h PRO 215 N 3.46 0.34 -0.05 -0.41 0.11 -1.69 -2.55 132.00 131.22 2r2r h PRO 215 Ca 0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 2r2r h PRO 215 Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2r2r h PRO 215 CO 0.44 0.23 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.83 2r2r h ASP 216 N 0.36 0.25 -3.88 -2.05 3.45 -1.93 -3.46 116.42 109.15 2r2r h ASP 216 Ca 0.42 -0.64 -0.55 0.00 0.43 0.00 0.00 57.03 56.70 2r2r h ASP 216 Cb 1.11 -0.07 0.18 0.00 -0.56 0.00 0.00 39.33 39.99 2r2r h ASP 216 CO -0.14 0.84 0.13 0.18 -1.57 0.00 0.00 179.24 178.69 2r2r n LEU 217 N -4.57 3.58 -4.17 1.55 4.77 -0.96 -4.98 117.00 112.22 2r2r n LEU 217 Ca -0.08 0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 56.18 2r2r n LEU 217 Cb 0.42 -1.43 -0.15 0.00 -2.33 0.00 0.00 43.42 39.94 2r2r n LEU 217 CO 0.39 -2.02 -0.44 -0.63 -1.33 0.00 0.00 177.39 173.35 2r2r s ILE 218 N -1.94 2.62 -0.27 -0.08 -1.09 -0.96 -4.97 121.20 114.52 2r2r s ILE 218 Ca 0.72 -1.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 2r2r s ILE 218 Cb -0.32 -2.30 0.04 0.00 -1.58 0.00 0.00 42.46 38.30 2r2r s ILE 218 CO 0.51 0.26 -0.05 -0.22 -1.23 0.00 0.00 174.94 174.22 2r2r s LEU 219 N 1.30 3.46 -0.16 2.97 2.96 -1.26 0.41 118.68 128.36 2r2r s LEU 219 Ca 0.00 -1.08 -0.07 0.00 -0.22 0.00 0.00 54.13 52.76 2r2r s LEU 219 Cb -0.16 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2r2r s LEU 219 CO -0.06 -0.18 0.08 -0.76 -1.32 0.00 0.00 176.35 174.10 2r2r s LEU 220 N 1.27 3.97 -0.08 -0.68 1.02 0.36 -4.98 118.68 119.57 2r2r s LEU 220 Ca -0.03 0.19 0.04 0.00 0.02 0.00 0.00 54.13 54.35 2r2r s LEU 220 Cb -0.18 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.04 2r2r s LEU 220 CO -0.03 0.25 -0.19 -1.10 0.02 0.00 0.00 176.35 175.29 2r2r s GLN 221 N -0.06 2.33 -0.49 1.70 -0.21 -1.26 -1.34 119.66 120.34 2r2r s GLN 221 Ca 0.07 -0.67 0.03 0.00 0.02 0.00 0.00 55.36 54.82 2r2r s GLN 221 Cb -0.12 -1.85 0.16 0.00 1.00 0.00 0.00 33.01 32.20 2r2r s GLN 221 CO 0.01 0.15 0.34 -0.47 -2.12 0.00 0.00 175.29 173.20 2r2r s TYR 222 N 0.37 1.94 0.00 0.91 5.04 -0.43 -4.93 117.35 120.25 2r2r s TYR 222 Ca -0.14 -2.56 0.00 0.00 -2.44 0.00 0.00 57.07 51.93 2r2r s TYR 222 Cb -0.16 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2r2r s TYR 222 CO 0.06 -0.74 0.00 0.28 -1.34 0.00 0.00 175.55 173.80 2r2r n VAL 223 N 2.90 0.00 -0.33 3.14 0.31 -1.26 -1.43 118.33 121.65 2r2r n VAL 223 Ca 0.20 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.63 2r2r n VAL 223 Cb 0.40 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.61 2r2r n VAL 223 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2r2r n ASP 224 N 9.13 3.72 -4.34 4.52 5.68 -1.26 -4.71 116.55 129.29 2r2r n ASP 224 Ca 0.00 -2.01 -0.37 0.00 -0.50 0.00 0.00 54.79 51.91 2r2r n ASP 224 Cb 0.00 -0.43 -0.13 0.00 -1.14 0.00 0.00 41.12 39.42 2r2r n ASP 224 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2r2r s ASP 225 N -1.00 5.04 -0.11 -1.12 1.01 -0.51 -1.24 116.67 118.73 2r2r s ASP 225 Ca 0.43 -0.68 -0.01 0.00 0.71 0.00 0.00 52.55 52.99 2r2r s ASP 225 Cb 0.22 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.27 2r2r s ASP 225 CO 0.29 -0.17 -0.06 -0.76 0.21 0.00 0.00 175.17 174.67 2r2r s LEU 226 N 1.49 3.14 -0.19 1.23 1.43 0.31 -1.32 118.68 124.78 2r2r s LEU 226 Ca 0.03 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2r2r s LEU 226 Cb -0.17 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2r2r s LEU 226 CO 0.02 0.25 -0.13 -0.22 0.23 0.00 0.00 176.35 176.50 2r2r s LEU 227 N -0.15 2.27 -0.18 1.79 2.96 -0.45 -1.05 118.68 123.88 2r2r s LEU 227 Ca 0.02 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.04 2r2r s LEU 227 Cb -0.13 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 2r2r s LEU 227 CO 0.03 -0.10 0.05 -0.22 -1.32 0.00 0.00 176.35 174.78 2r2r s LEU 228 N 1.35 3.70 0.12 -0.68 2.96 0.38 -0.48 118.68 126.03 2r2r s LEU 228 Ca 0.00 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.03 2r2r s LEU 228 Cb -0.15 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2r2r s LEU 228 CO -0.09 0.16 -0.16 0.00 -1.32 0.00 0.00 176.35 174.93 2r2r s ALA 229 N 0.45 2.75 0.17 5.97 0.00 0.17 -0.49 121.76 130.78 2r2r s ALA 229 Ca 0.02 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 2r2r s ALA 229 Cb -0.13 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2r2r s ALA 229 CO 0.01 0.60 0.45 0.00 0.00 0.00 0.00 175.76 176.82 2r2r s ALA 230 N -1.19 -0.81 -0.13 0.00 0.00 0.51 -2.26 121.76 117.89 2r2r s ALA 230 Ca 0.19 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 2r2r s ALA 230 Cb -0.11 0.81 -0.26 0.00 0.00 0.00 0.00 23.12 23.56 2r2r s ALA 230 CO 0.11 -0.74 0.60 1.15 0.00 0.00 0.00 175.76 176.89 2r2r h THR 231 N 2.29 1.30 -3.75 0.00 2.02 -1.85 -1.67 112.91 111.25 2r2r h THR 231 Ca -0.31 -2.36 -0.68 0.00 0.77 0.00 0.00 66.41 63.83 2r2r h THR 231 Cb 1.26 2.88 -0.19 0.00 -1.74 0.00 0.00 68.15 70.36 2r2r h THR 231 CO 0.42 0.60 -0.79 -0.94 0.37 0.00 0.00 175.52 175.17 2r2r s SER 232 N -6.77 3.94 0.62 4.18 1.04 -1.26 -4.54 113.70 110.91 2r2r s SER 232 Ca -0.20 -0.51 0.30 0.00 0.48 0.00 0.00 55.95 56.02 2r2r s SER 232 Cb 0.02 -0.60 1.65 0.00 0.10 0.00 0.00 66.02 67.19 2r2r s SER 232 CO 0.72 0.19 2.00 -0.08 0.98 0.00 0.00 173.24 177.06 2r2r h GLU 233 N 3.88 0.00 -0.28 4.02 4.81 -1.97 0.28 114.58 125.32 2r2r h GLU 233 Ca -0.49 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.63 2r2r h GLU 233 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2r2r h GLU 233 CO 0.47 0.00 -0.24 1.25 -0.73 0.00 0.00 179.01 179.76 2r2r h LEU 234 N 0.00 0.70 0.59 1.64 5.85 -1.98 -0.85 115.31 121.27 2r2r h LEU 234 Ca 0.09 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2r2r h LEU 234 Cb 0.72 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2r2r h LEU 234 CO -0.00 1.01 -0.29 0.44 -0.34 0.00 0.00 178.44 179.26 2r2r h ASP 235 N 0.40 -0.68 -0.47 1.25 3.45 -0.91 0.25 116.42 119.71 2r2r h ASP 235 Ca 0.05 0.02 0.14 0.00 0.43 0.00 0.00 57.03 57.67 2r2r h ASP 235 Cb 0.79 0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.72 2r2r h ASP 235 CO 0.06 -0.27 0.57 0.00 -1.57 0.00 0.00 179.24 178.03 2r2r h GLN 237 N 0.00 0.00 -0.40 0.00 4.15 -0.98 -2.85 115.11 115.03 2r2r h GLN 237 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 2r2r h GLN 237 Cb 1.36 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 2r2r h GLN 237 CO -0.00 0.31 0.03 1.96 -1.93 0.00 0.00 178.83 179.20 2r2r h GLN 238 N -1.00 0.61 -0.43 1.69 4.20 0.28 -1.99 115.11 118.47 2r2r h GLN 238 Ca -0.06 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2r2r h GLN 238 Cb 0.55 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2r2r h GLN 238 CO -0.04 0.61 -0.01 0.78 -0.67 0.00 0.00 178.83 179.51 2r2r h GLY 239 N 0.87 0.83 1.25 3.46 0.00 0.13 -2.56 103.07 107.04 2r2r h GLY 239 Ca 0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2r2r h GLY 239 CO 0.01 0.57 0.39 -0.84 0.00 0.00 0.00 176.54 176.67 2r2r h THR 240 N 0.61 1.21 -0.69 4.70 2.02 -1.20 -0.85 112.91 118.71 2r2r h THR 240 Ca 0.12 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2r2r h THR 240 Cb 0.50 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2r2r h THR 240 CO 0.02 0.24 0.27 0.03 0.37 0.00 0.00 175.52 176.45 2r2r h ARG 241 N 1.00 1.03 -0.24 6.66 3.08 -1.17 -0.64 114.38 124.11 2r2r h ARG 241 Ca 0.25 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 2r2r h ARG 241 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2r2r h ARG 241 CO -0.04 0.86 -0.31 0.00 -1.07 0.00 0.00 179.97 179.41 2r2r h ALA 242 N 1.12 1.03 0.06 0.04 0.00 -0.98 -1.43 119.26 119.10 2r2r h ALA 242 Ca 0.23 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2r2r h ALA 242 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2r2r h ALA 242 CO -0.02 0.59 -0.03 1.25 0.00 0.00 0.00 179.25 181.04 2r2r h LEU 243 N 0.42 -0.07 -0.25 0.00 5.85 -0.80 0.48 115.31 120.94 2r2r h LEU 243 Ca 0.05 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.41 2r2r h LEU 243 Cb 0.75 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2r2r h LEU 243 CO 0.06 0.38 0.01 -0.07 -0.34 0.00 0.00 178.44 178.48 2r2r h LEU 244 N -0.54 -0.08 -0.43 2.25 3.38 -1.12 0.57 115.31 119.35 2r2r h LEU 244 Ca -0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2r2r h LEU 244 Cb 0.47 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2r2r h LEU 244 CO 0.01 -0.01 0.24 -0.61 0.09 0.00 0.00 178.44 178.17 2r2r h GLN 245 N 0.09 0.47 0.22 1.13 5.75 -1.26 0.57 115.11 122.08 2r2r h GLN 245 Ca 0.12 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2r2r h GLN 245 Cb 0.14 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.59 2r2r h GLN 245 CO -0.19 0.31 -0.11 1.15 -2.65 0.00 0.00 178.83 177.35 2r2r h THR 246 N 0.49 0.81 -0.03 2.39 2.02 -0.19 -0.96 112.91 117.44 2r2r h THR 246 Ca 0.18 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.24 2r2r h THR 246 Cb 0.04 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2r2r h THR 246 CO -0.10 0.03 -0.15 -0.07 0.37 0.00 0.00 175.52 175.60 2r2r h LEU 247 N -0.37 -0.45 -1.16 2.58 3.38 0.39 -0.43 115.31 119.25 2r2r h LEU 247 Ca -0.03 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2r2r h LEU 247 Cb 0.28 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2r2r h LEU 247 CO 0.05 -0.21 0.58 1.23 0.09 0.00 0.00 178.44 180.18 2r2r h GLY 248 N -0.24 1.27 1.38 0.83 0.00 -0.86 -1.94 103.07 103.51 2r2r h GLY 248 Ca 0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 2r2r h GLY 248 CO -0.17 0.34 -0.10 -0.57 0.00 0.00 0.00 176.54 176.04 2r2r h ASN 249 N 1.06 0.73 1.35 0.19 -0.00 -0.48 -2.80 115.58 115.63 2r2r h ASN 249 Ca 0.36 -0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 2r2r h ASN 249 Cb 0.10 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.22 2r2r h ASN 249 CO -0.12 0.86 0.00 -0.07 -0.00 0.00 0.00 177.43 178.10 2r2r h LEU 250 N 0.67 0.00 0.00 0.34 3.38 -0.38 -3.47 115.31 115.85 2r2r h LEU 250 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2r2r h LEU 250 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2r2r h LEU 250 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2r2r n GLY 251 N 0.71 1.02 3.95 0.83 0.00 -0.89 -2.46 105.19 108.35 2r2r n GLY 251 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2r2r n GLY 251 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r2r s TYR 252 N -2.00 3.21 -0.03 1.61 2.02 -0.81 0.30 117.35 121.65 2r2r s TYR 252 Ca 0.00 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2r2r s TYR 252 Cb 0.00 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 2r2r s TYR 252 CO 0.00 -0.37 0.00 1.03 -1.57 0.00 0.00 175.55 174.64 2r2r s ARG 253 N -4.56 0.32 0.17 -0.62 1.81 -1.26 -4.06 118.95 110.75 2r2r s ARG 253 Ca 0.49 0.08 0.03 0.00 -1.72 0.00 0.00 55.73 54.61 2r2r s ARG 253 Cb -0.10 -0.51 -0.03 0.00 -0.45 0.00 0.00 34.95 33.86 2r2r s ARG 253 CO 0.38 -0.14 0.28 0.00 -0.68 0.00 0.00 175.30 175.14 2r2r s ALA 254 N 1.06 3.91 -0.48 2.13 0.00 -0.63 0.35 121.76 128.10 2r2r s ALA 254 Ca -0.09 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 2r2r s ALA 254 Cb -0.13 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.30 2r2r s ALA 254 CO -0.02 0.46 0.96 0.45 0.00 0.00 0.00 175.76 177.61 2r2r s SER 255 N -3.41 6.49 0.44 0.00 0.15 0.17 -0.50 113.70 117.05 2r2r s SER 255 Ca 0.34 0.10 0.17 0.00 0.70 0.00 0.00 55.95 57.26 2r2r s SER 255 Cb -0.10 -2.46 1.03 0.00 -1.71 0.00 0.00 66.02 62.77 2r2r s SER 255 CO 0.28 -1.11 1.96 0.00 1.20 0.00 0.00 173.24 175.57 2r2r h ALA 256 N 9.14 1.48 0.71 5.45 0.00 -1.93 -1.33 119.26 132.79 2r2r h ALA 256 Ca -0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2r2r h ALA 256 Cb 1.07 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2r2r h ALA 256 CO 1.05 0.28 -0.34 -0.22 0.00 0.00 0.00 179.25 180.02 2r2r h LYS 257 N 0.00 -0.92 0.00 0.00 1.63 -1.99 -3.19 116.57 112.09 2r2r h LYS 257 Ca -0.00 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2r2r h LYS 257 Cb 0.44 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2r2r h LYS 257 CO 0.03 -0.62 0.00 1.63 -3.45 0.00 0.00 179.45 177.04 2r2r n LYS 258 N -4.59 0.52 -1.65 1.90 5.02 -1.18 -4.92 118.16 113.26 2r2r n LYS 258 Ca -0.12 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.71 2r2r n LYS 258 Cb 0.38 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2r2r n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r2r n ALA 259 N -1.24 0.90 -3.82 7.82 0.00 -0.51 -4.91 120.51 118.77 2r2r n ALA 259 Ca 0.16 0.46 -0.34 0.00 0.00 0.00 0.00 53.44 53.71 2r2r n ALA 259 Cb 0.21 -2.29 -0.12 0.00 0.00 0.00 0.00 19.45 17.26 2r2r n ALA 259 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2r2r s GLN 260 N 0.70 2.25 0.37 0.00 -0.21 -0.44 -5.01 119.66 117.32 2r2r s GLN 260 Ca 0.79 -2.44 -0.18 0.00 0.02 0.00 0.00 55.36 53.55 2r2r s GLN 260 Cb -0.73 -3.55 -0.10 0.00 1.00 0.00 0.00 33.01 29.63 2r2r s GLN 260 CO 0.41 -1.13 0.83 0.42 -2.12 0.00 0.00 175.29 173.70 2r2r s ILE 261 N 0.06 4.55 0.00 1.08 -1.09 -1.26 -0.56 121.20 123.97 2r2r s ILE 261 Ca 0.16 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 2r2r s ILE 261 Cb -0.22 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 2r2r s ILE 261 CO -0.03 -0.25 0.00 0.00 -1.23 0.00 0.00 174.94 173.43 2r2r s GLN 263 N -0.41 2.03 0.00 0.00 -1.52 -0.24 -4.93 119.66 114.60 2r2r s GLN 263 Ca 0.00 -1.97 0.12 0.00 -1.95 0.00 0.00 55.36 51.55 2r2r s GLN 263 Cb 0.00 -1.78 0.23 0.00 -0.22 0.00 0.00 33.01 31.24 2r2r s GLN 263 CO 0.00 -0.02 1.11 1.63 -0.25 0.00 0.00 175.29 177.76 2r2r n LYS 264 N -1.02 1.95 -3.68 2.91 5.02 -1.26 -0.67 118.16 121.42 2r2r n LYS 264 Ca -0.04 -1.72 -0.09 0.00 -2.02 0.00 0.00 58.31 54.43 2r2r n LYS 264 Cb 0.65 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 2r2r n LYS 264 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2r2r s GLN 265 N -0.99 0.37 0.11 1.97 0.74 -1.26 -4.26 119.66 116.34 2r2r s GLN 265 Ca 0.20 0.91 -0.14 0.00 0.05 0.00 0.00 55.36 56.38 2r2r s GLN 265 Cb 0.12 0.13 0.03 0.00 1.10 0.00 0.00 33.01 34.39 2r2r s GLN 265 CO 0.16 -0.20 0.35 0.14 -0.55 0.00 0.00 175.29 175.19 2r2r s VAL 266 N 1.93 0.09 -0.24 1.34 -7.23 -0.90 -4.99 120.40 110.40 2r2r s VAL 266 Ca -0.06 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.26 2r2r s VAL 266 Cb -0.10 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2r2r s VAL 266 CO -0.13 -0.40 0.30 -0.54 -0.31 0.00 0.00 175.10 174.03 2r2r s LYS 267 N -3.70 4.08 -0.06 4.82 1.02 -1.26 -0.68 119.74 123.96 2r2r s LYS 267 Ca 0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.97 2r2r s LYS 267 Cb 0.02 -3.58 0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2r2r s LYS 267 CO -0.11 -0.09 0.11 -0.47 -0.92 0.00 0.00 175.35 173.87 2r2r s TYR 268 N 1.50 -0.09 -1.41 3.18 5.04 -0.18 -4.89 117.35 120.50 2r2r s TYR 268 Ca 0.13 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 2r2r s TYR 268 Cb -0.15 -0.23 0.07 0.00 0.35 0.00 0.00 41.96 42.00 2r2r s TYR 268 CO 0.08 -0.18 0.65 1.28 -1.34 0.00 0.00 175.55 176.04 2r2r n LEU 269 N 4.67 -1.99 0.00 6.97 4.77 -1.26 -0.55 117.00 129.61 2r2r n LEU 269 Ca -0.18 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2r2r n LEU 269 Cb 0.51 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.23 2r2r n LEU 269 CO 0.13 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2r2r n GLY 270 N -1.37 0.86 3.78 -0.72 0.00 -1.26 -5.04 105.19 101.44 2r2r n GLY 270 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2r2r n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r2r s TYR 271 N -3.41 2.81 -0.28 1.61 1.51 0.29 -5.10 117.35 114.78 2r2r s TYR 271 Ca 0.00 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2r2r s TYR 271 Cb 0.00 -1.64 0.06 0.00 -0.11 0.00 0.00 41.96 40.27 2r2r s TYR 271 CO 0.00 0.32 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.54 2r2r s LEU 272 N -3.88 3.73 -0.37 -1.29 2.96 -1.26 -1.01 118.68 117.56 2r2r s LEU 272 Ca 0.38 -1.39 -0.23 0.00 -0.22 0.00 0.00 54.13 52.66 2r2r s LEU 272 Cb -0.04 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2r2r s LEU 272 CO 0.24 -0.23 0.79 -0.76 -1.32 0.00 0.00 176.35 175.07 2r2r s LEU 273 N 1.16 4.13 -0.38 -0.68 1.02 0.14 -4.48 118.68 119.58 2r2r s LEU 273 Ca -0.06 0.36 0.04 0.00 0.02 0.00 0.00 54.13 54.49 2r2r s LEU 273 Cb -0.20 -3.04 0.16 0.00 0.02 0.00 0.00 46.19 43.14 2r2r s LEU 273 CO -0.03 -0.74 0.44 -0.75 0.02 0.00 0.00 176.35 175.28 2r2r s LYS 274 N 3.12 0.67 0.00 1.70 2.20 -1.11 -2.12 119.74 124.20 2r2r s LYS 274 Ca 0.32 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2r2r s LYS 274 Cb -0.13 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 2r2r s LYS 274 CO 0.17 -1.19 0.00 0.39 -0.36 0.00 0.00 175.35 174.36 2r2r n GLU 275 N 4.35 0.00 -1.29 4.03 1.02 -1.26 -3.76 120.64 123.72 2r2r n GLU 275 Ca 0.11 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 2r2r n GLU 275 Cb 0.48 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.56 2r2r n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r2r n GLY 276 N -0.27 1.12 3.58 0.62 0.00 -1.26 -4.99 105.19 103.98 2r2r n GLY 276 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2r2r n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r2r s GLN 277 N -2.71 2.62 0.00 1.61 1.11 -1.25 -5.01 119.66 116.04 2r2r s GLN 277 Ca 0.00 -0.65 0.00 0.00 0.01 0.00 0.00 55.36 54.72 2r2r s GLN 277 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 33.01 29.48 2r2r s GLN 277 CO 0.00 0.63 0.00 0.54 0.01 0.00 0.00 175.29 176.47