#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2s h TRP 25 N 0.00 -0.03 -0.12 4.78 4.06 -2.01 -2.67 115.95 119.96 2r2s h TRP 25 Ca 0.00 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.98 2r2s h TRP 25 Cb 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 2r2s h TRP 25 CO 0.00 0.41 0.08 1.25 -3.56 0.00 0.00 178.44 176.62 2r2s h LEU 26 N -0.48 0.03 0.74 -4.49 6.46 -2.01 -2.97 115.31 112.60 2r2s h LEU 26 Ca -0.00 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2r2s h LEU 26 Cb 0.45 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2r2s h LEU 26 CO 0.01 0.02 -0.36 -1.28 -0.62 0.00 0.00 178.44 176.21 2r2s h SER 27 N 0.03 -0.84 0.75 1.25 0.87 -1.97 -3.31 113.55 110.33 2r2s h SER 27 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2r2s h SER 27 Cb 0.17 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2r2s h SER 27 CO -0.00 -0.52 0.00 0.47 -0.53 0.00 0.00 176.83 176.25 2r2s n ASP 28 N -5.14 0.53 -3.22 6.23 8.00 -1.02 -3.91 116.55 118.02 2r2s n ASP 28 Ca -0.12 0.62 -0.24 0.00 0.71 0.00 0.00 54.79 55.75 2r2s n ASP 28 Cb 0.39 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 2r2s n ASP 28 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2r2s n PHE 29 N -2.08 1.87 -0.17 1.24 3.72 -1.13 -4.93 117.46 115.99 2r2s n PHE 29 Ca 0.03 -3.88 -0.05 0.00 -0.05 0.00 0.00 57.45 53.50 2r2s n PHE 29 Cb 0.24 -0.46 0.05 0.00 -0.94 0.00 0.00 39.48 38.37 2r2s n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2r2s h PRO 30 N 3.69 0.53 0.00 -1.08 0.11 -1.68 -2.18 132.00 131.39 2r2s h PRO 30 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2r2s h PRO 30 Cb 0.75 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2r2s h PRO 30 CO 0.66 0.35 0.00 1.04 -0.21 0.00 0.00 178.00 179.84 2r2s n GLN 31 N -4.85 0.54 0.07 1.05 1.13 -1.26 -2.38 117.38 111.68 2r2s n GLN 31 Ca 0.04 0.02 0.04 0.00 -1.94 0.00 0.00 57.00 55.16 2r2s n GLN 31 Cb 0.12 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 2r2s n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2r2s h ALA 32 N 3.44 0.63 -2.91 -1.58 0.00 -1.66 -3.39 119.26 113.79 2r2s h ALA 32 Ca 0.00 -0.55 -0.66 0.00 0.00 0.00 0.00 54.91 53.71 2r2s h ALA 32 Cb 0.18 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2r2s h ALA 32 CO 0.00 0.61 -0.53 -1.58 0.00 0.00 0.00 179.25 177.75 2r2s s TRP 33 N -3.05 3.43 0.21 0.00 0.52 -1.21 -1.57 118.94 117.27 2r2s s TRP 33 Ca -0.01 0.34 -0.08 0.00 0.02 0.00 0.00 56.10 56.37 2r2s s TRP 33 Cb 0.09 -1.83 0.14 0.00 -1.15 0.00 0.00 33.47 30.71 2r2s s TRP 33 CO 0.79 0.62 1.74 0.00 0.02 0.00 0.00 176.95 180.13 2r2s h ALA 34 N 4.46 0.99 -0.89 0.98 0.00 -1.71 0.45 119.26 123.54 2r2s h ALA 34 Ca -0.51 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.33 2r2s h ALA 34 Cb 1.20 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2r2s h ALA 34 CO 0.61 0.67 0.58 0.93 0.00 0.00 0.00 179.25 182.04 2r2s h GLU 35 N 1.13 0.60 0.00 0.00 3.07 -1.93 -3.27 114.58 114.17 2r2s h GLU 35 Ca 0.24 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2r2s h GLU 35 Cb 0.31 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 2r2s h GLU 35 CO -0.01 0.40 -0.52 0.25 -1.40 0.00 0.00 179.01 177.73 2r2s n THR 36 N -4.56 0.13 0.04 1.13 -2.24 -1.12 -4.79 114.28 102.88 2r2s n THR 36 Ca 0.18 -0.26 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2r2s n THR 36 Cb 0.53 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 2r2s n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r2s n GLY 37 N -0.05 -0.18 0.00 3.38 0.00 0.16 -4.48 105.19 104.01 2r2s n GLY 37 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2r2s n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2s n GLY 38 N 1.98 -1.76 3.41 -0.02 0.00 -1.23 -4.85 105.19 102.72 2r2s n GLY 38 Ca -0.01 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 2r2s n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2r2s n MET 39 N -1.91 0.31 -2.55 1.61 1.56 -1.26 -4.84 117.12 110.04 2r2s n MET 39 Ca 0.00 0.11 -0.23 0.00 -0.27 0.00 0.00 57.70 57.31 2r2s n MET 39 Cb 0.00 -1.23 0.09 0.00 2.15 0.00 0.00 33.22 34.23 2r2s n MET 39 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2r2s s GLY 40 N -0.94 1.77 -0.30 -5.12 0.00 -1.26 -5.04 107.32 96.43 2r2s s GLY 40 Ca 0.62 -1.59 -0.15 0.00 0.00 0.00 0.00 44.72 43.60 2r2s s GLY 40 CO 0.59 -1.08 1.12 -2.27 0.00 0.00 0.00 173.10 171.47 2r2s s LEU 41 N -5.10 -0.28 -0.67 0.66 1.98 0.28 -4.54 118.68 111.02 2r2s s LEU 41 Ca 0.64 0.12 -0.27 0.00 -2.89 0.00 0.00 54.13 51.74 2r2s s LEU 41 Cb -0.07 1.21 0.00 0.00 0.66 0.00 0.00 46.19 48.00 2r2s s LEU 41 CO 0.43 -0.05 1.62 0.00 -1.89 0.00 0.00 176.35 176.46 2r2s s ALA 42 N 2.97 2.41 0.25 5.97 0.00 0.38 -4.31 121.76 129.43 2r2s s ALA 42 Ca 0.06 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.17 2r2s s ALA 42 Cb -0.06 -4.29 0.27 0.00 0.00 0.00 0.00 23.12 19.04 2r2s s ALA 42 CO -0.14 -3.64 1.56 -0.39 0.00 0.00 0.00 175.76 173.15 2r2s h VAL 43 N 6.53 1.48 0.00 0.00 -1.51 -1.83 -3.06 116.25 117.86 2r2s h VAL 43 Ca -0.27 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 62.90 2r2s h VAL 43 Cb 1.11 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.52 2r2s h VAL 43 CO 1.24 0.66 0.00 0.54 -1.23 0.00 0.00 177.57 178.78 2r2s n ARG 44 N -3.74 0.02 -3.53 5.19 5.12 -1.26 -4.71 116.66 113.76 2r2s n ARG 44 Ca -0.01 0.26 -0.37 0.00 -1.93 0.00 0.00 57.85 55.80 2r2s n ARG 44 Cb 0.66 -1.54 -0.07 0.00 -1.16 0.00 0.00 32.46 30.36 2r2s n ARG 44 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2r2s s GLN 45 N -3.03 4.12 0.32 5.56 -1.52 -1.16 -5.08 119.66 118.86 2r2s s GLN 45 Ca 0.07 0.20 -0.27 0.00 -1.95 0.00 0.00 55.36 53.41 2r2s s GLN 45 Cb 0.10 -3.36 -0.10 0.00 -0.22 0.00 0.00 33.01 29.43 2r2s s GLN 45 CO 0.29 0.38 0.95 0.00 -0.25 0.00 0.00 175.29 176.66 2r2s s ALA 46 N 0.00 3.22 0.04 6.09 0.00 -1.26 -4.82 121.76 125.02 2r2s s ALA 46 Ca 0.19 0.55 -0.38 0.00 0.00 0.00 0.00 51.96 52.32 2r2s s ALA 46 Cb -0.14 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.61 2r2s s ALA 46 CO 0.07 0.16 1.27 -2.30 0.00 0.00 0.00 175.76 174.96 2r2s n PRO 47 N 0.66 0.76 -2.62 0.00 -0.02 -1.26 -4.85 135.00 127.67 2r2s n PRO 47 Ca 0.02 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2r2s n PRO 47 Cb 0.50 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 2r2s n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2r2s s LEU 48 N 0.48 4.48 -0.15 2.45 1.43 -0.20 -4.36 118.68 122.82 2r2s s LEU 48 Ca 0.87 1.93 -0.05 0.00 -1.03 0.00 0.00 54.13 55.85 2r2s s LEU 48 Cb -1.07 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 2r2s s LEU 48 CO 0.51 -0.16 0.02 -0.63 0.23 0.00 0.00 176.35 176.33 2r2s s ILE 49 N -0.01 4.47 -0.43 -0.59 1.01 -1.26 -0.58 121.20 123.82 2r2s s ILE 49 Ca 0.49 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 2r2s s ILE 49 Cb -0.26 -2.97 0.06 0.00 0.01 0.00 0.00 42.46 39.30 2r2s s ILE 49 CO 0.32 0.51 0.30 -0.63 0.00 0.00 0.00 174.94 175.43 2r2s s ILE 50 N 0.03 4.68 0.17 2.92 -1.09 -1.26 -5.05 121.20 121.60 2r2s s ILE 50 Ca 0.04 -1.14 -0.31 0.00 -2.23 0.00 0.00 60.65 57.01 2r2s s ILE 50 Cb -0.13 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.89 2r2s s ILE 50 CO 0.02 -0.46 1.41 -2.84 -1.23 0.00 0.00 174.94 171.83 2r2s s PRO 51 N 1.54 4.31 0.54 2.79 0.02 -1.26 -4.93 135.00 138.00 2r2s s PRO 51 Ca 0.03 2.17 -0.03 0.00 0.02 0.00 0.00 61.00 63.19 2r2s s PRO 51 Cb -0.22 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.11 2r2s s PRO 51 CO 0.05 -0.42 0.81 -0.51 -0.33 0.00 0.00 177.00 176.59 2r2s s LEU 52 N 0.57 3.36 0.44 -5.54 1.43 -1.26 -0.59 118.68 117.09 2r2s s LEU 52 Ca 0.63 0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 53.98 2r2s s LEU 52 Cb -0.39 -3.30 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 2r2s s LEU 52 CO 0.35 -0.97 0.96 -0.54 0.23 0.00 0.00 176.35 176.37 2r2s s LYS 53 N -4.82 4.19 0.45 1.70 1.02 -1.12 -4.49 119.74 116.67 2r2s s LYS 53 Ca 0.53 1.14 0.27 0.00 0.02 0.00 0.00 55.97 57.92 2r2s s LYS 53 Cb -0.10 -2.17 1.32 0.00 -0.52 0.00 0.00 37.83 36.35 2r2s s LYS 53 CO 0.42 -0.07 1.74 0.00 -0.92 0.00 0.00 175.35 176.52 2r2s h ALA 54 N 1.87 2.64 -0.57 5.17 0.00 -1.97 0.25 119.26 126.65 2r2s h ALA 54 Ca -0.49 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2r2s h ALA 54 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2r2s h ALA 54 CO 0.61 -1.09 0.00 0.25 0.00 0.00 0.00 179.25 179.02 2r2s n THR 55 N -4.50 0.92 -2.36 0.00 -2.24 -1.26 -4.96 114.28 99.89 2r2s n THR 55 Ca 0.29 -0.96 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 2r2s n THR 55 Cb 1.14 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 2r2s n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2r2s s SER 56 N -1.05 6.82 0.00 3.42 0.01 0.08 -5.01 113.70 117.96 2r2s s SER 56 Ca 0.40 1.63 0.08 0.00 1.31 0.00 0.00 55.95 59.37 2r2s s SER 56 Cb 0.21 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 2r2s s SER 56 CO 0.28 -0.88 -0.25 0.28 0.41 0.00 0.00 173.24 173.07 2r2s s THR 57 N 3.87 2.02 0.40 1.44 -1.32 -1.26 -4.86 115.64 115.93 2r2s s THR 57 Ca 0.58 -1.17 -0.19 0.00 -1.21 0.00 0.00 61.69 59.70 2r2s s THR 57 Cb -0.22 -1.69 -0.14 0.00 -1.51 0.00 0.00 72.50 68.94 2r2s s THR 57 CO 0.19 0.49 0.02 -2.65 -2.21 0.00 0.00 174.62 170.46 2r2s n PRO 58 N 2.23 0.00 -3.82 7.08 -0.02 -1.26 -5.03 135.00 134.18 2r2s n PRO 58 Ca -0.16 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.10 2r2s n PRO 58 Cb 0.52 -0.93 -0.17 0.00 -0.02 0.00 0.00 33.50 32.89 2r2s n PRO 58 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2r2s s VAL 59 N -1.66 0.36 -0.37 -1.45 0.11 -1.26 -5.00 120.40 111.13 2r2s s VAL 59 Ca 0.55 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 2r2s s VAL 59 Cb -0.55 -0.51 0.10 0.00 -1.53 0.00 0.00 36.38 33.89 2r2s s VAL 59 CO 0.59 0.25 0.12 -0.55 -3.33 0.00 0.00 175.10 172.18 2r2s s SER 60 N 1.81 5.01 -0.27 3.54 0.15 -1.25 -2.40 113.70 120.30 2r2s s SER 60 Ca 0.02 -2.06 -0.14 0.00 0.70 0.00 0.00 55.95 54.48 2r2s s SER 60 Cb -0.13 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 2r2s s SER 60 CO -0.04 -0.46 0.32 -0.63 1.20 0.00 0.00 173.24 173.63 2r2s s ILE 61 N 1.03 5.22 0.28 6.45 1.01 0.12 -4.90 121.20 130.41 2r2s s ILE 61 Ca 0.09 0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 2r2s s ILE 61 Cb -0.21 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 2r2s s ILE 61 CO -0.06 0.19 1.55 -0.75 0.00 0.00 0.00 174.94 175.87 2r2s s LYS 62 N 1.97 4.17 0.38 2.79 2.36 -1.26 -3.97 119.74 126.17 2r2s s LYS 62 Ca 0.13 2.49 -0.26 0.00 -2.55 0.00 0.00 55.97 55.78 2r2s s LYS 62 Cb -0.16 -3.05 -0.11 0.00 -1.05 0.00 0.00 37.83 33.46 2r2s s LYS 62 CO 0.10 -0.57 1.16 0.94 1.55 0.00 0.00 175.35 178.53 2r2s n GLN 63 N 2.30 1.71 -2.39 4.03 -0.06 -1.26 -4.75 117.38 116.96 2r2s n GLN 63 Ca 0.08 0.61 -0.32 0.00 -2.00 0.00 0.00 57.00 55.37 2r2s n GLN 63 Cb 0.38 -2.18 -0.03 0.00 -4.06 0.00 0.00 30.24 24.35 2r2s n GLN 63 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2r2s s TYR 64 N -1.17 3.47 0.74 3.69 2.02 -1.26 -5.02 117.35 119.81 2r2s s TYR 64 Ca 0.60 1.43 -0.15 0.00 -0.37 0.00 0.00 57.07 58.58 2r2s s TYR 64 Cb -0.57 -2.77 0.04 0.00 -0.40 0.00 0.00 41.96 38.27 2r2s s TYR 64 CO 0.59 -0.38 1.20 -1.25 -1.57 0.00 0.00 175.55 174.15 2r2s s PRO 65 N -4.14 2.09 -0.09 -1.71 0.04 -1.26 -4.99 135.00 124.94 2r2s s PRO 65 Ca 0.58 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 2r2s s PRO 65 Cb -0.10 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2r2s s PRO 65 CO 0.33 -1.87 0.19 1.41 0.04 0.00 0.00 177.00 177.10 2r2s s MET 66 N -3.96 0.09 0.51 4.56 1.75 -1.26 -5.11 119.30 115.88 2r2s s MET 66 Ca 0.74 0.57 -0.21 0.00 -1.25 0.00 0.00 55.69 55.53 2r2s s MET 66 Cb -0.29 -0.18 -0.08 0.00 2.84 0.00 0.00 34.83 37.12 2r2s s MET 66 CO 0.46 -0.26 0.99 -1.13 -0.65 0.00 0.00 175.02 174.43 2r2s n SER 67 N 4.99 1.04 -0.24 1.11 3.41 -1.26 -4.65 113.62 118.01 2r2s n SER 67 Ca -0.12 0.92 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 2r2s n SER 67 Cb 0.50 -1.37 0.38 0.00 -0.26 0.00 0.00 64.21 63.46 2r2s n SER 67 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2r2s h GLN 68 N 1.07 0.66 -0.26 4.33 1.08 -2.00 -0.66 115.11 119.33 2r2s h GLN 68 Ca -0.47 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 56.71 2r2s h GLN 68 Cb 1.35 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 2r2s h GLN 68 CO 0.54 0.44 0.12 1.49 -0.95 0.00 0.00 178.83 180.47 2r2s h GLU 69 N 0.68 0.25 -0.18 1.46 4.81 -1.99 0.95 114.58 120.57 2r2s h GLU 69 Ca 0.41 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2r2s h GLU 69 Cb 0.63 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2r2s h GLU 69 CO -0.17 0.17 0.09 0.00 -0.73 0.00 0.00 179.01 178.37 2r2s h ALA 70 N 1.14 0.23 -1.00 2.92 0.00 -1.51 0.14 119.26 121.17 2r2s h ALA 70 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2r2s h ALA 70 Cb 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2r2s h ALA 70 CO -0.08 -0.22 0.65 -0.09 0.00 0.00 0.00 179.25 179.51 2r2s h ARG 71 N 0.18 1.20 -0.12 0.00 2.43 -0.91 -0.97 114.38 116.18 2r2s h ARG 71 Ca 0.06 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2r2s h ARG 71 Cb 0.09 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2r2s h ARG 71 CO -0.01 0.79 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.75 2r2s h LEU 72 N 1.24 0.30 -1.11 3.80 4.07 -0.35 -2.68 115.31 120.58 2r2s h LEU 72 Ca 0.41 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.18 2r2s h LEU 72 Cb 0.06 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 2r2s h LEU 72 CO -0.14 0.69 -0.06 1.23 -1.08 0.00 0.00 178.44 179.08 2r2s h GLY 73 N 1.22 0.61 0.56 0.83 0.00 0.65 -3.08 103.07 103.85 2r2s h GLY 73 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2r2s h GLY 73 CO 0.07 0.37 -0.97 0.29 0.00 0.00 0.00 176.54 176.29 2r2s n ILE 74 N -4.23 0.12 -0.13 2.60 -5.35 -0.98 -4.50 119.36 106.89 2r2s n ILE 74 Ca 0.01 -0.18 -0.07 0.00 -0.27 0.00 0.00 62.75 62.24 2r2s n ILE 74 Cb 0.29 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.49 2r2s n ILE 74 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2r2s h LYS 75 N 0.00 -0.23 -0.75 6.28 3.64 -1.38 -2.40 116.57 121.73 2r2s h LYS 75 Ca 0.00 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.56 2r2s h LYS 75 Cb 0.67 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.41 2r2s h LYS 75 CO 0.00 -0.15 -0.07 -1.35 -2.27 0.00 0.00 179.45 175.61 2r2s h PRO 76 N -0.24 0.06 0.49 1.90 0.11 -1.79 -1.37 132.00 131.15 2r2s h PRO 76 Ca 0.18 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2r2s h PRO 76 Cb 0.54 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 2r2s h PRO 76 CO -0.56 0.04 -0.31 0.45 -0.21 0.00 0.00 178.00 177.41 2r2s h HIS 77 N 0.06 -0.82 -1.00 0.65 3.86 -1.74 -2.19 115.15 113.98 2r2s h HIS 77 Ca 0.39 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.69 2r2s h HIS 77 Cb 0.66 0.29 -0.12 0.00 1.06 0.00 0.00 27.41 29.30 2r2s h HIS 77 CO -0.49 -0.46 -0.58 0.82 0.86 0.00 0.00 177.93 178.09 2r2s h ILE 78 N -0.75 0.00 -0.49 2.45 1.08 -1.27 0.59 117.51 119.13 2r2s h ILE 78 Ca -0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 2r2s h ILE 78 Cb 0.60 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 2r2s h ILE 78 CO 0.06 0.00 -0.35 -0.61 -0.69 0.00 0.00 178.15 176.56 2r2s h GLN 79 N -0.00 -0.08 -0.18 2.37 5.75 -1.17 0.24 115.11 122.04 2r2s h GLN 79 Ca 0.17 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 2r2s h GLN 79 Cb 0.42 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 2r2s h GLN 79 CO -0.94 -0.05 0.14 -0.09 -2.65 0.00 0.00 178.83 175.24 2r2s h ARG 80 N -0.08 0.00 -0.23 1.69 2.43 -0.57 0.26 114.38 117.89 2r2s h ARG 80 Ca 0.08 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 2r2s h ARG 80 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2r2s h ARG 80 CO -0.51 0.00 -0.52 -0.07 -1.51 0.00 0.00 179.97 177.36 2r2s h LEU 81 N 0.00 0.72 -0.41 3.80 3.38 0.16 -0.52 115.31 122.43 2r2s h LEU 81 Ca 0.09 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2r2s h LEU 81 Cb 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2r2s h LEU 81 CO -0.00 1.11 -0.10 -0.07 0.09 0.00 0.00 178.44 179.47 2r2s h LEU 82 N 0.51 0.79 -2.06 1.67 3.38 0.82 0.71 115.31 121.12 2r2s h LEU 82 Ca 0.02 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2r2s h LEU 82 Cb 1.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2r2s h LEU 82 CO 0.10 0.97 -0.07 0.44 0.09 0.00 0.00 178.44 179.97 2r2s h ASP 83 N 0.60 0.00 -0.26 -0.43 3.32 -0.85 -0.25 116.42 118.54 2r2s h ASP 83 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2r2s h ASP 83 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2r2s h ASP 83 CO 0.04 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 2r2s n GLN 84 N -3.42 2.15 -1.33 3.56 6.02 -0.22 -4.92 117.38 119.22 2r2s n GLN 84 Ca -0.02 -1.73 -0.11 0.00 -0.01 0.00 0.00 57.00 55.13 2r2s n GLN 84 Cb 0.21 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 29.97 2r2s n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r2s n GLY 85 N 1.33 1.20 0.12 1.08 0.00 -0.11 -4.84 105.19 103.97 2r2s n GLY 85 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.01 2r2s n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2r2s h ILE 86 N 0.00 0.46 -3.57 -0.61 2.04 -1.07 -3.43 117.51 111.32 2r2s h ILE 86 Ca -0.23 -1.79 -0.64 0.00 1.00 0.00 0.00 64.86 63.20 2r2s h ILE 86 Cb 0.93 2.03 -0.32 0.00 -0.74 0.00 0.00 36.82 38.71 2r2s h ILE 86 CO 0.34 0.26 -0.87 -0.76 0.00 0.00 0.00 178.15 177.13 2r2s s LEU 87 N -5.91 1.99 0.12 1.44 1.43 -0.99 -1.21 118.68 115.56 2r2s s LEU 87 Ca 0.00 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2r2s s LEU 87 Cb 0.08 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2r2s s LEU 87 CO 0.78 0.16 -0.10 0.68 0.23 0.00 0.00 176.35 178.10 2r2s s VAL 88 N 0.24 1.03 0.57 -1.59 -7.23 -0.33 -4.27 120.40 108.84 2r2s s VAL 88 Ca -0.13 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 2r2s s VAL 88 Cb -0.16 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 2r2s s VAL 88 CO 0.06 -0.63 1.13 -2.84 -0.31 0.00 0.00 175.10 172.51 2r2s s PRO 89 N -3.16 3.20 0.00 4.82 0.02 -1.26 -1.57 135.00 137.04 2r2s s PRO 89 Ca 0.10 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2r2s s PRO 89 Cb -0.01 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2r2s s PRO 89 CO 0.00 -0.96 0.00 0.00 -0.33 0.00 0.00 177.00 175.71 2r2s s GLN 91 N -0.81 0.55 0.17 0.00 0.74 -1.26 -4.47 119.66 114.58 2r2s s GLN 91 Ca 0.00 0.66 0.08 0.00 0.05 0.00 0.00 55.36 56.15 2r2s s GLN 91 Cb 0.00 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 2r2s s GLN 91 CO 0.00 -0.91 -0.16 0.45 -0.55 0.00 0.00 175.29 174.12 2r2s s SER 92 N 2.81 2.54 0.14 6.67 0.15 -1.26 -5.00 113.70 119.74 2r2s s SER 92 Ca 0.13 -0.91 0.27 0.00 0.70 0.00 0.00 55.95 56.15 2r2s s SER 92 Cb -0.12 -0.14 0.96 0.00 -1.71 0.00 0.00 66.02 65.02 2r2s s SER 92 CO -0.24 -0.10 1.83 -2.65 1.20 0.00 0.00 173.24 173.28 2r2s n PRO 93 N 0.10 0.17 -2.72 5.44 -0.02 -1.26 -4.73 135.00 131.99 2r2s n PRO 93 Ca -0.12 0.14 -0.26 0.00 -2.02 0.00 0.00 63.50 61.24 2r2s n PRO 93 Cb 0.58 -1.70 0.01 0.00 -0.02 0.00 0.00 33.50 32.38 2r2s n PRO 93 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2r2s s TRP 94 N -3.07 3.39 0.00 6.00 0.52 -1.26 -3.74 118.94 120.78 2r2s s TRP 94 Ca 0.12 0.58 0.00 0.00 0.02 0.00 0.00 56.10 56.82 2r2s s TRP 94 Cb 0.15 -2.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.07 2r2s s TRP 94 CO 0.57 -0.42 0.00 -1.71 0.02 0.00 0.00 176.95 175.41 2r2s n ASN 95 N -2.27 0.00 -4.10 2.95 5.15 -1.01 -4.78 115.26 111.20 2r2s n ASN 95 Ca 0.01 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.82 2r2s n ASN 95 Cb 0.57 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.69 2r2s n ASN 95 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2r2s s THR 96 N 0.00 0.88 0.75 -0.44 -4.23 -1.09 0.15 115.64 111.66 2r2s s THR 96 Ca 0.00 -0.96 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 2r2s s THR 96 Cb 0.00 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 73.03 2r2s s THR 96 CO 0.00 -0.11 0.99 -0.81 -0.54 0.00 0.00 174.62 174.15 2r2s n PRO 97 N 1.84 0.41 -4.46 3.99 -0.04 -1.25 -4.43 135.00 131.06 2r2s n PRO 97 Ca -0.19 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 2r2s n PRO 97 Cb 0.55 -2.25 -0.15 0.00 -0.04 0.00 0.00 33.50 31.61 2r2s n PRO 97 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2r2s s LEU 98 N -3.53 2.61 -0.13 1.53 2.96 -1.26 -2.27 118.68 118.59 2r2s s LEU 98 Ca 0.73 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2r2s s LEU 98 Cb -0.33 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2r2s s LEU 98 CO 0.51 0.09 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.76 2r2s s LEU 99 N 0.82 2.85 -0.44 -0.68 1.43 0.34 -4.76 118.68 118.24 2r2s s LEU 99 Ca -0.04 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 2r2s s LEU 99 Cb -0.15 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2r2s s LEU 99 CO 0.00 0.18 0.86 -2.84 0.23 0.00 0.00 176.35 174.78 2r2s s PRO 100 N 0.29 3.55 0.18 1.29 0.02 -1.26 -0.16 135.00 138.91 2r2s s PRO 100 Ca -0.08 0.14 0.08 0.00 0.02 0.00 0.00 61.00 61.15 2r2s s PRO 100 Cb -0.15 -3.90 -0.04 0.00 0.02 0.00 0.00 34.50 30.42 2r2s s PRO 100 CO 0.05 -1.11 -0.01 0.08 -0.33 0.00 0.00 177.00 175.68 2r2s s VAL 101 N 3.49 3.64 0.23 3.83 1.01 -0.74 -4.85 120.40 127.01 2r2s s VAL 101 Ca 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2r2s s VAL 101 Cb -0.11 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2r2s s VAL 101 CO 0.23 -0.14 0.14 -1.59 0.00 0.00 0.00 175.10 173.74 2r2s s LYS 102 N -3.01 1.31 -0.05 2.72 0.00 -1.26 0.49 119.74 119.93 2r2s s LYS 102 Ca 0.28 -1.71 -0.02 0.00 0.00 0.00 0.00 55.97 54.52 2r2s s LYS 102 Cb -0.09 0.17 -0.02 0.00 0.00 0.00 0.00 37.83 37.89 2r2s s LYS 102 CO 0.18 -0.40 -0.06 1.63 0.00 0.00 0.00 175.35 176.70 2r2s n LYS 103 N -0.35 0.11 0.00 1.78 4.76 -1.26 -4.98 118.16 118.22 2r2s n LYS 103 Ca 0.02 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2r2s n LYS 103 Cb 0.66 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 2r2s n LYS 103 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2r2s n PRO 104 N -3.12 2.47 -0.07 1.97 -0.02 -1.26 -4.76 135.00 130.21 2r2s n PRO 104 Ca -0.10 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 2r2s n PRO 104 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.05 2r2s n PRO 104 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2r2s h GLY 105 N 0.00 0.23 0.00 -1.23 0.00 -2.00 -3.43 103.07 96.64 2r2s h GLY 105 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2r2s h GLY 105 CO 0.00 -0.08 0.00 -0.37 0.00 0.00 0.00 176.54 176.09 2r2s n THR 106 N -5.20 0.00 -1.34 4.70 5.66 -1.26 -5.10 114.28 111.73 2r2s n THR 106 Ca -0.01 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 2r2s n THR 106 Cb 0.15 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.02 2r2s n THR 106 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2r2s n ASN 107 N 0.00 -0.06 -3.05 1.09 5.15 -1.26 -4.75 115.26 112.38 2r2s n ASN 107 Ca 0.00 -1.17 -0.00 0.00 -0.60 0.00 0.00 54.58 52.80 2r2s n ASN 107 Cb 0.00 -0.43 -0.00 0.00 -0.53 0.00 0.00 39.78 38.82 2r2s n ASN 107 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2r2s n ASP 108 N -3.39 -6.72 -4.94 1.20 5.75 -1.26 -4.19 116.55 103.01 2r2s n ASP 108 Ca 0.07 0.73 -0.24 0.00 -0.01 0.00 0.00 54.79 55.34 2r2s n ASP 108 Cb 0.24 -2.49 -0.00 0.00 -1.03 0.00 0.00 41.12 37.84 2r2s n ASP 108 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2r2s s TYR 109 N -0.96 3.43 -0.02 2.11 1.51 -1.26 -4.14 117.35 118.02 2r2s s TYR 109 Ca -0.01 0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 56.44 2r2s s TYR 109 Cb 0.00 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.79 2r2s s TYR 109 CO 0.19 -0.09 0.03 1.03 -1.11 0.00 0.00 175.55 175.60 2r2s s ARG 110 N -4.46 -0.03 0.21 -0.62 0.52 0.18 -4.62 118.95 110.13 2r2s s ARG 110 Ca 0.44 0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.53 2r2s s ARG 110 Cb -0.10 -0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.04 2r2s s ARG 110 CO 0.38 -0.16 1.42 -1.25 0.02 0.00 0.00 175.30 175.71 2r2s s PRO 111 N 1.03 4.29 -0.06 3.54 0.04 -1.26 -1.79 135.00 140.79 2r2s s PRO 111 Ca -0.09 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 2r2s s PRO 111 Cb -0.12 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2r2s s PRO 111 CO -0.03 -0.41 0.04 0.08 0.04 0.00 0.00 177.00 176.72 2r2s s VAL 112 N 0.29 0.09 -0.01 -0.36 1.01 0.77 -4.93 120.40 117.26 2r2s s VAL 112 Ca 0.61 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 2r2s s VAL 112 Cb -0.40 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 2r2s s VAL 112 CO 0.39 0.20 0.43 -1.58 0.00 0.00 0.00 175.10 174.54 2r2s s GLN 113 N 2.09 4.02 -0.81 2.72 0.74 -1.26 0.13 119.66 127.28 2r2s s GLN 113 Ca 0.05 0.44 -0.18 0.00 0.05 0.00 0.00 55.36 55.72 2r2s s GLN 113 Cb -0.12 -3.26 0.13 0.00 1.10 0.00 0.00 33.01 30.86 2r2s s GLN 113 CO -0.04 0.60 0.96 0.34 -0.55 0.00 0.00 175.29 176.60 2r2s s ASP 114 N -0.79 6.51 0.00 6.67 -1.08 -0.96 -4.86 116.67 122.16 2r2s s ASP 114 Ca 0.24 -1.91 0.20 0.00 -0.52 0.00 0.00 52.55 50.56 2r2s s ASP 114 Cb -0.17 -2.35 0.62 0.00 -1.46 0.00 0.00 42.92 39.57 2r2s s ASP 114 CO 0.13 -1.03 1.48 0.18 0.52 0.00 0.00 175.17 176.45 2r2s n LEU 115 N 6.19 2.10 -0.35 -1.34 4.77 -1.26 -4.51 117.00 122.59 2r2s n LEU 115 Ca 0.12 -0.91 0.25 0.00 -0.03 0.00 0.00 56.01 55.44 2r2s n LEU 115 Cb 0.47 -0.16 0.51 0.00 -2.33 0.00 0.00 43.42 41.91 2r2s n LEU 115 CO 0.51 0.46 1.19 0.03 -1.33 0.00 0.00 177.39 178.24 2r2s h ARG 116 N 2.69 0.33 -0.11 3.23 3.08 -1.89 0.13 114.38 121.84 2r2s h ARG 116 Ca 0.00 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 2r2s h ARG 116 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2r2s h ARG 116 CO 0.00 0.22 -0.66 0.93 -1.07 0.00 0.00 179.97 179.39 2r2s h GLU 117 N 0.34 0.44 -0.19 0.04 4.39 -2.00 -2.38 114.58 115.21 2r2s h GLU 117 Ca 0.69 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 2r2s h GLU 117 Cb 1.73 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 2r2s h GLU 117 CO -0.43 0.94 0.00 0.28 -1.16 0.00 0.00 179.01 178.65 2r2s h VAL 118 N 0.31 1.25 -0.91 3.13 2.07 -1.13 -2.66 116.25 118.31 2r2s h VAL 118 Ca -0.02 -0.85 0.12 0.00 0.82 0.00 0.00 66.70 66.78 2r2s h VAL 118 Cb 1.22 1.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.33 2r2s h VAL 118 CO 0.12 0.26 0.54 0.78 0.02 0.00 0.00 177.57 179.28 2r2s h ASN 119 N 0.10 0.75 -0.71 0.57 2.35 -1.12 0.16 115.58 117.68 2r2s h ASN 119 Ca 0.05 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2r2s h ASN 119 Cb 0.38 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 2r2s h ASN 119 CO 0.01 0.38 0.47 0.11 -1.65 0.00 0.00 177.43 176.74 2r2s h LYS 120 N 0.83 0.77 -0.32 0.81 1.57 -1.09 -2.13 116.57 117.00 2r2s h LYS 120 Ca 0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2r2s h LYS 120 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2r2s h LYS 120 CO -0.29 0.51 0.00 0.54 -0.57 0.00 0.00 179.45 179.64 2r2s n ARG 121 N -4.47 2.12 -3.87 3.15 1.74 -0.05 -4.92 116.66 110.36 2r2s n ARG 121 Ca 0.10 -1.70 -0.31 0.00 -0.77 0.00 0.00 57.85 55.17 2r2s n ARG 121 Cb 0.18 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 2r2s n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r2s s VAL 122 N -1.59 5.34 0.20 1.55 1.01 -0.62 -2.81 120.40 123.48 2r2s s VAL 122 Ca 0.35 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2r2s s VAL 122 Cb 0.19 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 2r2s s VAL 122 CO 0.28 0.10 1.13 -0.70 0.00 0.00 0.00 175.10 175.90 2r2s s GLU 123 N -2.61 4.58 0.96 2.72 2.56 0.24 -4.65 118.70 122.50 2r2s s GLU 123 Ca 0.36 1.78 -0.12 0.00 0.00 0.00 0.00 54.97 56.99 2r2s s GLU 123 Cb -0.13 -3.25 0.16 0.00 2.00 0.00 0.00 34.13 32.92 2r2s s GLU 123 CO 0.27 0.06 1.11 -0.51 -0.56 0.00 0.00 175.26 175.63 2r2s s ASP 124 N -0.22 3.03 0.05 -1.70 1.01 -1.26 -4.88 116.67 112.70 2r2s s ASP 124 Ca 0.49 1.15 -0.12 0.00 0.71 0.00 0.00 52.55 54.78 2r2s s ASP 124 Cb -0.31 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 41.85 2r2s s ASP 124 CO 0.37 -2.87 0.26 0.27 0.21 0.00 0.00 175.17 173.41 2r2s s ILE 125 N -3.07 0.10 -0.08 0.77 -4.36 -1.26 -5.10 121.20 108.20 2r2s s ILE 125 Ca 0.64 -0.81 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 2r2s s ILE 125 Cb -0.17 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.48 2r2s s ILE 125 CO 0.56 -0.45 1.67 -2.28 0.24 0.00 0.00 174.94 174.68 2r2s s HIS 126 N -2.82 1.96 -0.78 1.37 5.65 -1.26 -4.90 115.29 114.51 2r2s s HIS 126 Ca -0.03 0.24 -0.26 0.00 0.25 0.00 0.00 55.06 55.26 2r2s s HIS 126 Cb 0.00 -3.93 -0.12 0.00 -1.18 0.00 0.00 32.58 27.35 2r2s s HIS 126 CO -0.05 -3.77 2.36 -2.14 -0.65 0.00 0.00 174.74 170.49 2r2s s PRO 127 N 4.18 1.73 0.43 2.88 0.02 -1.26 -4.77 135.00 138.22 2r2s s PRO 127 Ca 0.74 0.49 0.24 0.00 0.02 0.00 0.00 61.00 62.49 2r2s s PRO 127 Cb -0.32 -4.79 0.87 0.00 0.02 0.00 0.00 34.50 30.27 2r2s s PRO 127 CO 0.30 -4.25 1.80 1.79 -0.33 0.00 0.00 177.00 176.31 2r2s h THR 128 N 7.64 0.56 -2.60 0.99 1.35 -1.91 -3.44 112.91 115.49 2r2s h THR 128 Ca -0.01 -1.17 -0.53 0.00 -0.55 0.00 0.00 66.41 64.14 2r2s h THR 128 Cb 1.02 1.80 0.03 0.00 -1.73 0.00 0.00 68.15 69.28 2r2s h THR 128 CO 1.04 0.23 1.06 -0.69 -0.25 0.00 0.00 175.52 176.91 2r2s s VAL 129 N -3.61 2.82 -0.00 6.82 1.01 -1.26 -4.96 120.40 121.22 2r2s s VAL 129 Ca 0.01 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 2r2s s VAL 129 Cb 0.10 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2r2s s VAL 129 CO 0.64 -0.00 0.90 -2.16 0.00 0.00 0.00 175.10 174.48 2r2s s PRO 130 N 2.79 4.54 0.48 2.72 0.04 -1.26 -5.01 135.00 139.30 2r2s s PRO 130 Ca 0.78 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 2r2s s PRO 130 Cb -0.43 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 30.60 2r2s s PRO 130 CO 0.34 0.02 1.33 0.27 0.04 0.00 0.00 177.00 179.01 2r2s n ASN 131 N 3.72 2.74 -0.33 6.66 6.94 -1.26 -4.69 115.26 129.04 2r2s n ASN 131 Ca 0.04 1.05 -0.02 0.00 -0.02 0.00 0.00 54.58 55.63 2r2s n ASN 131 Cb 0.51 -1.55 0.03 0.00 -2.36 0.00 0.00 39.78 36.40 2r2s n ASN 131 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 2r2s n PRO 132 N -0.44 -0.21 0.06 -0.53 -0.02 -1.26 -1.78 135.00 130.82 2r2s n PRO 132 Ca 0.08 1.32 -0.14 0.00 -2.02 0.00 0.00 63.50 62.74 2r2s n PRO 132 Cb 0.42 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 2r2s n PRO 132 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2r2s h TYR 133 N 0.00 -1.40 0.00 6.00 5.03 -1.98 -0.31 116.97 124.31 2r2s h TYR 133 Ca 0.29 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.61 2r2s h TYR 133 Cb 0.50 0.60 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 2r2s h TYR 133 CO -0.76 -0.52 -0.14 -0.91 -1.32 0.00 0.00 178.16 174.51 2r2s h ASN 134 N -0.62 0.00 -0.89 -2.11 2.35 -1.86 -1.55 115.58 110.90 2r2s h ASN 134 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2r2s h ASN 134 Cb 0.65 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 2r2s h ASN 134 CO -0.30 0.14 0.49 0.25 -1.65 0.00 0.00 177.43 176.36 2r2s h LEU 135 N 0.00 1.11 -0.64 1.61 5.85 -0.37 -1.82 115.31 121.06 2r2s h LEU 135 Ca -0.00 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2r2s h LEU 135 Cb 0.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2r2s h LEU 135 CO 0.02 0.89 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.69 2r2s h LEU 136 N 1.25 0.00 -0.70 2.25 -0.00 -0.11 -3.25 115.31 114.75 2r2s h LEU 136 Ca 0.31 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.32 2r2s h LEU 136 Cb 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.60 2r2s h LEU 136 CO -0.05 0.25 0.26 0.28 -0.00 0.00 0.00 178.44 179.17 2r2s h SER 137 N 0.00 0.22 0.00 -0.43 0.02 -0.82 -1.86 113.55 110.68 2r2s h SER 137 Ca -0.00 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2r2s h SER 137 Cb 0.95 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 2r2s h SER 137 CO 0.03 0.10 -0.12 0.61 -1.14 0.00 0.00 176.83 176.31 2r2s n GLY 138 N -1.32 2.36 2.79 -3.77 0.00 -1.23 -4.72 105.19 99.30 2r2s n GLY 138 Ca 0.12 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 2r2s n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r2s s LEU 139 N 0.00 1.71 0.41 0.99 0.20 -0.70 -5.04 118.68 116.24 2r2s s LEU 139 Ca 0.32 -1.04 -0.25 0.00 0.69 0.00 0.00 54.13 53.86 2r2s s LEU 139 Cb 0.15 -0.79 -0.08 0.00 -0.43 0.00 0.00 46.19 45.04 2r2s s LEU 139 CO 0.00 -0.30 1.17 -2.84 -0.29 0.00 0.00 176.35 174.09 2r2s s PRO 140 N 1.70 4.00 0.35 0.98 0.02 -1.26 -4.96 135.00 135.84 2r2s s PRO 140 Ca -0.01 1.83 0.15 0.00 0.02 0.00 0.00 61.00 63.00 2r2s s PRO 140 Cb -0.18 -2.63 0.65 0.00 0.02 0.00 0.00 34.50 32.37 2r2s s PRO 140 CO -0.10 -0.36 1.75 -1.35 -0.33 0.00 0.00 177.00 176.61 2r2s h PRO 141 N 2.53 0.00 -1.09 5.54 0.11 -1.99 -3.07 132.00 134.04 2r2s h PRO 141 Ca -0.49 0.00 0.32 0.00 0.11 0.00 0.00 66.00 65.94 2r2s h PRO 141 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2r2s h PRO 141 CO 0.62 0.43 0.78 0.66 -0.21 0.00 0.00 178.00 180.28 2r2s h SER 142 N 0.00 0.01 -3.21 -2.05 4.64 -1.97 -3.32 113.55 107.65 2r2s h SER 142 Ca -0.00 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.56 2r2s h SER 142 Cb 0.85 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.69 2r2s h SER 142 CO 0.06 0.00 -0.21 -1.00 -0.87 0.00 0.00 176.83 174.81 2r2s s HIS 143 N -4.96 3.33 -1.52 4.77 3.76 -1.16 -4.44 115.29 115.07 2r2s s HIS 143 Ca -0.05 -1.46 0.23 0.00 -0.15 0.00 0.00 55.06 53.64 2r2s s HIS 143 Cb 0.22 -3.76 0.17 0.00 1.11 0.00 0.00 32.58 30.32 2r2s s HIS 143 CO 0.80 -1.01 1.18 1.04 -0.85 0.00 0.00 174.74 175.90 2r2s n GLN 144 N 5.05 0.59 -3.78 1.40 1.13 -1.06 -4.70 117.38 116.01 2r2s n GLN 144 Ca -0.10 -0.45 -0.36 0.00 -1.94 0.00 0.00 57.00 54.15 2r2s n GLN 144 Cb 0.41 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.16 2r2s n GLN 144 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2r2s s TRP 145 N -2.72 3.22 0.21 1.08 0.52 -0.64 -4.11 118.94 116.50 2r2s s TRP 145 Ca 0.15 -0.01 0.10 0.00 0.02 0.00 0.00 56.10 56.37 2r2s s TRP 145 Cb 0.18 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2r2s s TRP 145 CO 0.67 -0.06 -0.12 0.71 0.02 0.00 0.00 176.95 178.17 2r2s s TYR 146 N 1.12 2.54 -0.11 -1.98 4.12 0.34 -1.11 117.35 122.26 2r2s s TYR 146 Ca 0.06 -0.26 -0.05 0.00 0.02 0.00 0.00 57.07 56.83 2r2s s TYR 146 Cb -0.14 -1.20 0.05 0.00 -1.52 0.00 0.00 41.96 39.15 2r2s s TYR 146 CO 0.04 0.56 0.25 0.99 0.02 0.00 0.00 175.55 177.41 2r2s s THR 147 N -1.93 -0.07 -0.10 -0.71 2.01 -0.79 -0.34 115.64 113.71 2r2s s THR 147 Ca 0.26 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2r2s s THR 147 Cb -0.08 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.06 2r2s s THR 147 CO 0.15 0.06 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.33 2r2s s VAL 148 N 1.35 1.29 0.19 3.82 1.01 0.18 -1.63 120.40 126.62 2r2s s VAL 148 Ca -0.09 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.49 2r2s s VAL 148 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2r2s s VAL 148 CO -0.09 0.40 -0.21 -0.76 0.00 0.00 0.00 175.10 174.45 2r2s s LEU 149 N 1.13 2.46 -0.03 3.92 1.43 -0.85 -1.67 118.68 125.08 2r2s s LEU 149 Ca -0.05 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2r2s s LEU 149 Cb -0.14 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.12 2r2s s LEU 149 CO -0.03 0.03 0.05 1.51 0.23 0.00 0.00 176.35 178.14 2r2s s ASP 150 N -2.80 0.04 0.24 2.29 -4.77 -1.26 -0.90 116.67 109.51 2r2s s ASP 150 Ca 0.20 0.08 -0.30 0.00 -3.30 0.00 0.00 52.55 49.23 2r2s s ASP 150 Cb -0.06 -0.03 -0.09 0.00 -1.09 0.00 0.00 42.92 41.65 2r2s s ASP 150 CO 0.09 -0.13 0.96 -0.76 0.70 0.00 0.00 175.17 176.02 2r2s s LEU 151 N 1.09 4.64 -0.27 2.11 1.43 -0.76 -0.57 118.68 126.34 2r2s s LEU 151 Ca -0.09 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.81 2r2s s LEU 151 Cb -0.13 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2r2s s LEU 151 CO -0.03 0.12 0.51 -0.75 0.23 0.00 0.00 176.35 176.43 2r2s s LYS 152 N -1.17 4.02 -1.07 1.70 2.47 0.29 -4.04 119.74 121.94 2r2s s LYS 152 Ca 0.42 0.27 -0.04 0.00 -1.56 0.00 0.00 55.97 55.05 2r2s s LYS 152 Cb -0.27 -3.67 0.00 0.00 -1.46 0.00 0.00 37.83 32.44 2r2s s LYS 152 CO 0.33 -0.38 0.92 -0.25 0.16 0.00 0.00 175.35 176.12 2r2s n ASP 153 N 5.57 -4.06 -0.39 1.43 10.43 -1.26 -4.70 116.55 123.56 2r2s n ASP 153 Ca -0.04 -0.48 -0.07 0.00 2.57 0.00 0.00 54.79 56.77 2r2s n ASP 153 Cb 0.50 -4.29 -0.05 0.00 1.84 0.00 0.00 41.12 39.12 2r2s n ASP 153 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2r2s n ALA 154 N -4.15 -0.44 -0.24 2.24 0.00 -1.26 -1.78 120.51 114.89 2r2s n ALA 154 Ca -0.10 0.85 0.01 0.00 0.00 0.00 0.00 53.44 54.21 2r2s n ALA 154 Cb 0.59 -0.23 0.13 0.00 0.00 0.00 0.00 19.45 19.94 2r2s n ALA 154 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2r2s h PHE 155 N 0.00 0.58 0.00 0.00 0.04 -1.91 -1.83 116.94 113.81 2r2s h PHE 155 Ca 0.21 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2r2s h PHE 155 Cb 0.45 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2r2s h PHE 155 CO -0.93 0.19 0.03 1.19 -0.60 0.00 0.00 178.31 178.20 2r2s n PHE 156 N -4.90 0.14 0.85 -0.55 3.72 -0.73 -1.01 117.46 114.97 2r2s n PHE 156 Ca 0.11 0.07 0.14 0.00 -0.05 0.00 0.00 57.45 57.71 2r2s n PHE 156 Cb 0.28 -0.58 0.53 0.00 -0.94 0.00 0.00 39.48 38.77 2r2s n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r2s s LEU 158 N -3.62 3.55 0.43 0.00 1.43 -0.18 0.14 118.68 120.44 2r2s s LEU 158 Ca 0.13 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 2r2s s LEU 158 Cb 0.16 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2r2s s LEU 158 CO 0.55 -0.02 1.14 -0.13 0.23 0.00 0.00 176.35 178.13 2r2s s ARG 159 N 1.56 3.91 -0.15 1.70 0.52 -1.26 0.36 118.95 125.58 2r2s s ARG 159 Ca 0.06 1.74 -0.07 0.00 -0.52 0.00 0.00 55.73 56.94 2r2s s ARG 159 Cb -0.15 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2r2s s ARG 159 CO 0.05 -0.42 0.09 -0.51 0.02 0.00 0.00 175.30 174.53 2r2s s LEU 160 N -2.82 4.04 0.19 2.53 1.43 -0.48 -1.03 118.68 122.54 2r2s s LEU 160 Ca 0.61 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2r2s s LEU 160 Cb -0.28 -2.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 2r2s s LEU 160 CO 0.34 0.29 1.30 -2.28 0.23 0.00 0.00 176.35 176.23 2r2s s HIS 161 N -0.32 3.28 0.32 0.29 5.65 0.26 -4.70 115.29 120.07 2r2s s HIS 161 Ca 0.10 1.24 0.07 0.00 0.25 0.00 0.00 55.06 56.72 2r2s s HIS 161 Cb -0.12 -3.58 0.89 0.00 -1.18 0.00 0.00 32.58 28.59 2r2s s HIS 161 CO 0.01 -1.80 1.60 -1.35 -0.65 0.00 0.00 174.74 172.55 2r2s h PRO 162 N 5.40 0.08 -0.59 2.88 0.11 -1.95 0.38 132.00 138.31 2r2s h PRO 162 Ca -0.45 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 2r2s h PRO 162 Cb 1.21 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2r2s h PRO 162 CO 0.77 0.05 0.15 0.00 -0.21 0.00 0.00 178.00 178.76 2r2s h THR 163 N 0.08 0.68 0.00 -1.15 1.03 -1.95 -2.64 112.91 108.97 2r2s h THR 163 Ca 0.65 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.95 2r2s h THR 163 Cb 1.44 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 2r2s h THR 163 CO -0.79 0.05 -0.48 -1.54 -0.01 0.00 0.00 175.52 172.75 2r2s n SER 164 N -5.10 0.69 -0.17 0.00 3.41 0.12 -4.07 113.62 108.50 2r2s n SER 164 Ca 0.08 0.20 0.15 0.00 -0.26 0.00 0.00 58.87 59.04 2r2s n SER 164 Cb 0.30 -0.04 0.49 0.00 -0.26 0.00 0.00 64.21 64.71 2r2s n SER 164 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2r2s h GLN 165 N 0.00 0.42 -0.12 4.33 4.20 -0.87 -2.19 115.11 120.88 2r2s h GLN 165 Ca 0.00 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2r2s h GLN 165 Cb 0.72 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2r2s h GLN 165 CO 0.00 0.28 0.11 -1.35 -0.67 0.00 0.00 178.83 177.21 2r2s h PRO 166 N 0.44 0.00 -0.24 1.46 0.11 -1.71 -2.81 132.00 129.24 2r2s h PRO 166 Ca 0.38 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.56 2r2s h PRO 166 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2r2s h PRO 166 CO -0.13 0.00 0.17 -0.07 -0.21 0.00 0.00 178.00 177.77 2r2s h LEU 167 N 0.00 0.00 -2.82 2.35 4.07 -1.69 -2.97 115.31 114.25 2r2s h LEU 167 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2r2s h LEU 167 Cb 0.29 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2r2s h LEU 167 CO -0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 2r2s n PHE 168 N -4.47 0.90 -1.29 1.13 3.72 -1.06 -4.71 117.46 111.69 2r2s n PHE 168 Ca 0.03 -0.51 -0.35 0.00 -0.05 0.00 0.00 57.45 56.56 2r2s n PHE 168 Cb 0.32 -0.03 0.10 0.00 -0.94 0.00 0.00 39.48 38.93 2r2s n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r2s n ALA 169 N 1.32 -0.13 -2.87 4.37 0.00 -1.12 -4.61 120.51 117.47 2r2s n ALA 169 Ca 0.22 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2r2s n ALA 169 Cb 0.60 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 2r2s n ALA 169 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2r2s s PHE 170 N -1.90 -0.09 -0.14 0.00 -0.71 -0.04 -2.66 117.98 112.43 2r2s s PHE 170 Ca 0.74 -0.24 -0.18 0.00 -1.04 0.00 0.00 56.93 56.21 2r2s s PHE 170 Cb -0.33 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2r2s s PHE 170 CO 0.50 -0.63 0.48 -2.00 -1.34 0.00 0.00 175.22 172.23 2r2s s GLU 171 N -3.64 4.30 -0.26 1.99 2.12 -1.26 -0.91 118.70 121.03 2r2s s GLU 171 Ca 0.02 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.78 2r2s s GLU 171 Cb 0.02 -3.47 0.05 0.00 0.26 0.00 0.00 34.13 30.99 2r2s s GLU 171 CO -0.10 0.08 -0.07 -0.46 -0.54 0.00 0.00 175.26 174.16 2r2s s TRP 172 N 0.89 3.19 0.00 5.30 -0.00 0.92 -4.88 118.94 124.36 2r2s s TRP 172 Ca 0.25 -1.97 0.00 0.00 -0.00 0.00 0.00 56.10 54.38 2r2s s TRP 172 Cb -0.15 -2.01 0.00 0.00 -0.00 0.00 0.00 33.47 31.31 2r2s s TRP 172 CO 0.10 -0.82 0.00 0.54 -0.00 0.00 0.00 176.95 176.77 2r2s n ARG 173 N 4.56 3.83 0.00 5.86 5.12 -1.26 -2.81 116.66 131.96 2r2s n ARG 173 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2r2s n ARG 173 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 2r2s n ARG 173 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2r2s n ASP 174 N 0.00 0.00 0.29 0.55 -0.08 -1.26 -4.90 116.55 111.15 2r2s n ASP 174 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 2r2s n ASP 174 Cb 0.00 0.00 0.98 0.00 2.34 0.00 0.00 41.12 44.44 2r2s n ASP 174 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2r2s h PRO 175 N 0.00 0.00 -2.42 -0.67 0.11 -1.98 -2.52 132.00 124.52 2r2s h PRO 175 Ca 0.00 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.36 2r2s h PRO 175 Cb 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 30.80 2r2s h PRO 175 CO 0.00 0.00 0.55 -1.91 -0.21 0.00 0.00 178.00 176.43 2r2s n GLU 176 N -3.48 4.58 0.00 1.05 2.13 -1.26 -4.63 120.64 119.04 2r2s n GLU 176 Ca -0.02 -4.68 0.00 0.00 0.66 0.00 0.00 57.16 53.13 2r2s n GLU 176 Cb 0.18 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.47 2r2s n GLU 176 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 2r2s n MET 177 N 0.33 0.00 0.00 5.31 1.56 -0.95 -5.03 117.12 118.34 2r2s n MET 177 Ca 0.37 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 2r2s n MET 177 Cb 0.31 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.68 2r2s n MET 177 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2r2s n GLY 178 N 0.00 0.00 1.26 -5.12 0.00 -1.23 -4.40 105.19 95.69 2r2s n GLY 178 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2r2s n GLY 178 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2r2s n ILE 179 N -1.66 -1.35 0.00 -0.61 5.41 -1.26 -4.49 119.36 115.40 2r2s n ILE 179 Ca 0.00 0.66 0.00 0.00 1.00 0.00 0.00 62.75 64.41 2r2s n ILE 179 Cb 0.00 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 2r2s n ILE 179 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2r2s n SER 180 N -2.10 0.00 0.00 4.38 2.88 -1.26 -4.80 113.62 112.72 2r2s n SER 180 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2r2s n SER 180 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2r2s n SER 180 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r2s n GLY 181 N 0.00 -1.14 3.58 0.46 0.00 -1.12 -4.83 105.19 102.14 2r2s n GLY 181 Ca 0.00 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.24 2r2s n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r2s s GLN 182 N 0.13 3.87 0.11 1.61 0.74 -1.26 0.31 119.66 125.17 2r2s s GLN 182 Ca 0.00 -0.40 0.06 0.00 0.05 0.00 0.00 55.36 55.07 2r2s s GLN 182 Cb 0.00 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 2r2s s GLN 182 CO 0.00 0.20 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.28 2r2s s LEU 183 N 0.56 2.36 0.33 3.68 1.43 -0.09 -1.64 118.68 125.30 2r2s s LEU 183 Ca 0.02 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2r2s s LEU 183 Cb -0.13 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 2r2s s LEU 183 CO 0.01 -0.09 0.24 0.28 0.23 0.00 0.00 176.35 177.02 2r2s s THR 184 N -1.78 0.11 0.15 5.49 -1.32 -0.61 -0.86 115.64 116.81 2r2s s THR 184 Ca 0.06 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.49 2r2s s THR 184 Cb -0.07 -2.47 -0.06 0.00 -1.51 0.00 0.00 72.50 68.39 2r2s s THR 184 CO 0.03 0.00 0.38 0.26 -2.21 0.00 0.00 174.62 173.09 2r2s s TRP 185 N -3.48 3.47 -1.19 9.09 0.52 -1.26 -1.18 118.94 124.91 2r2s s TRP 185 Ca 0.38 0.56 0.10 0.00 0.02 0.00 0.00 56.10 57.16 2r2s s TRP 185 Cb 0.03 -2.01 0.07 0.00 -1.15 0.00 0.00 33.47 30.41 2r2s s TRP 185 CO 0.24 0.42 0.79 0.25 0.02 0.00 0.00 176.95 178.67 2r2s n THR 186 N 0.05 0.00 -4.17 2.01 -2.24 -0.35 -4.75 114.28 104.84 2r2s n THR 186 Ca -0.02 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2r2s n THR 186 Cb 0.52 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.84 2r2s n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2r2s s ARG 187 N -0.90 0.84 -0.03 -0.78 1.81 -1.26 -1.38 118.95 117.25 2r2s s ARG 187 Ca 0.11 -1.34 -0.34 0.00 -1.72 0.00 0.00 55.73 52.43 2r2s s ARG 187 Cb 0.08 -0.17 -0.12 0.00 -0.45 0.00 0.00 34.95 34.29 2r2s s ARG 187 CO 0.14 -0.04 1.81 -0.11 -0.68 0.00 0.00 175.30 176.42 2r2s n LEU 188 N -0.05 3.34 -4.92 2.53 7.94 0.16 -4.72 117.00 121.27 2r2s n LEU 188 Ca -0.12 1.00 -0.26 0.00 -1.11 0.00 0.00 56.01 55.53 2r2s n LEU 188 Cb 0.61 -1.38 -0.00 0.00 0.53 0.00 0.00 43.42 43.18 2r2s n LEU 188 CO 0.30 -0.12 0.35 -2.16 -1.11 0.00 0.00 177.39 174.65 2r2s s PRO 189 N 3.32 3.42 0.44 1.96 0.04 -1.26 -3.56 135.00 139.35 2r2s s PRO 189 Ca 0.90 -0.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.65 2r2s s PRO 189 Cb -0.70 -2.47 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 2r2s s PRO 189 CO 0.49 -0.15 1.11 -0.65 0.04 0.00 0.00 177.00 177.84 2r2s s GLN 190 N -4.61 3.91 0.00 4.56 -1.52 -1.26 -3.42 119.66 117.32 2r2s s GLN 190 Ca 0.46 1.63 0.00 0.00 -1.95 0.00 0.00 55.36 55.50 2r2s s GLN 190 Cb -0.10 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 2r2s s GLN 190 CO 0.41 -0.39 0.00 0.41 -0.25 0.00 0.00 175.29 175.48 2r2s n GLY 191 N 0.33 0.80 3.61 3.09 0.00 -1.26 -4.90 105.19 106.87 2r2s n GLY 191 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2r2s n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2r2s s PHE 192 N -3.14 3.26 -0.78 1.61 5.36 -1.22 -4.63 117.98 118.43 2r2s s PHE 192 Ca 0.00 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2r2s s PHE 192 Cb 0.00 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 2r2s s PHE 192 CO 0.00 -0.30 0.63 0.36 -1.46 0.00 0.00 175.22 174.45 2r2s n LYS 193 N 5.55 0.00 0.00 10.12 2.85 -1.26 -1.26 118.16 134.15 2r2s n LYS 193 Ca -0.04 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2r2s n LYS 193 Cb 0.50 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 2r2s n LYS 193 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2r2s n ASN 194 N -1.13 0.83 -0.25 -5.58 3.02 -1.26 -4.74 115.26 106.15 2r2s n ASN 194 Ca 0.00 -1.04 -0.04 0.00 -0.03 0.00 0.00 54.58 53.47 2r2s n ASN 194 Cb 0.14 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.38 2r2s n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2r2s h SER 195 N 0.00 0.75 -0.05 6.41 0.02 -1.50 0.15 113.55 119.33 2r2s h SER 195 Ca 0.00 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2r2s h SER 195 Cb 0.13 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2r2s h SER 195 CO 0.00 0.53 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.50 2r2s h PRO 196 N 0.89 -0.09 -0.12 3.45 0.11 -1.85 0.23 132.00 134.63 2r2s h PRO 196 Ca 0.27 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 2r2s h PRO 196 Cb -0.03 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 2r2s h PRO 196 CO -0.09 -0.06 -0.04 1.15 -0.21 0.00 0.00 178.00 178.75 2r2s h THR 197 N -0.09 1.30 -1.00 -1.15 2.02 -1.83 -2.12 112.91 110.03 2r2s h THR 197 Ca 0.05 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.26 2r2s h THR 197 Cb 0.15 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 2r2s h THR 197 CO -0.11 0.29 0.66 -0.07 0.37 0.00 0.00 175.52 176.66 2r2s h LEU 198 N -0.09 1.10 -0.49 2.58 3.38 -0.57 -2.30 115.31 118.93 2r2s h LEU 198 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2r2s h LEU 198 Cb 0.47 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2r2s h LEU 198 CO 0.01 0.75 0.02 0.15 0.09 0.00 0.00 178.44 179.46 2r2s h PHE 199 N 1.27 0.92 0.62 1.13 3.57 -0.44 -2.57 116.94 121.43 2r2s h PHE 199 Ca 0.40 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2r2s h PHE 199 Cb 0.01 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2r2s h PHE 199 CO -0.00 0.86 -0.50 0.22 -2.23 0.00 0.00 178.31 176.66 2r2s h ASP 200 N 0.71 -1.33 -0.69 0.41 3.58 -0.95 -0.47 116.42 117.68 2r2s h ASP 200 Ca 0.14 0.09 0.14 0.00 0.42 0.00 0.00 57.03 57.83 2r2s h ASP 200 Cb 0.48 0.42 -0.12 0.00 1.72 0.00 0.00 39.33 41.83 2r2s h ASP 200 CO 0.02 -0.70 -0.09 -0.33 -2.88 0.00 0.00 179.24 175.26 2r2s h GLU 201 N -1.09 0.05 0.04 0.28 5.08 -1.44 0.22 114.58 117.71 2r2s h GLU 201 Ca -0.08 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2r2s h GLU 201 Cb 0.91 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 2r2s h GLU 201 CO 0.00 0.03 -0.25 0.00 -1.00 0.00 0.00 179.01 177.79 2r2s h ALA 202 N 1.66 -0.36 -0.60 3.43 0.00 -1.02 -0.67 119.26 121.70 2r2s h ALA 202 Ca 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2r2s h ALA 202 Cb 0.57 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2r2s h ALA 202 CO -0.66 -0.76 0.13 1.25 0.00 0.00 0.00 179.25 179.22 2r2s h LEU 203 N -0.41 0.89 -1.12 0.00 5.85 0.32 -0.71 115.31 120.13 2r2s h LEU 203 Ca 0.05 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2r2s h LEU 203 Cb 0.47 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2r2s h LEU 203 CO -0.20 0.87 0.37 0.45 -0.34 0.00 0.00 178.44 179.60 2r2s h HIS 204 N 0.90 0.97 -0.25 1.25 3.86 -0.24 0.33 115.15 121.98 2r2s h HIS 204 Ca 0.19 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2r2s h HIS 204 Cb 0.34 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2r2s h HIS 204 CO 0.02 0.68 0.07 0.00 0.86 0.00 0.00 177.93 179.57 2r2s h ARG 205 N 0.99 0.39 0.00 2.45 3.08 -0.35 -2.91 114.38 118.03 2r2s h ARG 205 Ca 0.25 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2r2s h ARG 205 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2r2s h ARG 205 CO -0.04 0.47 0.00 -0.44 -1.07 0.00 0.00 179.97 178.89 2r2s h ASP 206 N 0.23 0.00 -0.55 7.04 5.19 -0.62 -3.13 116.42 124.59 2r2s h ASP 206 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2r2s h ASP 206 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2r2s h ASP 206 CO -0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 2r2s n LEU 207 N -2.60 3.46 0.05 1.55 4.77 0.06 -4.53 117.00 119.75 2r2s n LEU 207 Ca 0.03 -2.00 -0.13 0.00 -0.03 0.00 0.00 56.01 53.88 2r2s n LEU 207 Cb 0.33 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2r2s n LEU 207 CO 0.26 0.86 0.71 0.00 -1.33 0.00 0.00 177.39 177.89 2r2s h ALA 208 N 3.19 -0.11 -0.71 -1.18 0.00 -1.45 -2.10 119.26 116.90 2r2s h ALA 208 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2r2s h ALA 208 Cb 0.86 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2r2s h ALA 208 CO 0.00 -0.43 0.47 0.22 0.00 0.00 0.00 179.25 179.51 2r2s h ASP 209 N -0.37 0.43 0.11 0.00 3.58 -1.81 -1.56 116.42 116.81 2r2s h ASP 209 Ca -0.01 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2r2s h ASP 209 Cb 0.31 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2r2s h ASP 209 CO 0.02 0.25 -0.05 0.15 -2.88 0.00 0.00 179.24 176.72 2r2s h PHE 210 N 0.47 -0.14 -1.01 0.28 3.04 -1.81 -1.39 116.94 116.39 2r2s h PHE 210 Ca 0.34 -0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.52 2r2s h PHE 210 Cb 0.66 0.05 -0.11 0.00 2.56 0.00 0.00 35.95 39.11 2r2s h PHE 210 CO -0.00 0.24 0.62 0.00 -2.02 0.00 0.00 178.31 177.15 2r2s h ARG 211 N -0.56 0.57 -0.18 1.11 3.08 -0.61 -0.39 114.38 117.39 2r2s h ARG 211 Ca -0.02 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2r2s h ARG 211 Cb 0.45 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2r2s h ARG 211 CO 0.03 0.37 -0.28 0.82 -1.07 0.00 0.00 179.97 179.84 2r2s h ILE 212 N 0.58 1.34 0.00 2.04 5.03 -1.20 -3.18 117.51 122.13 2r2s h ILE 212 Ca 0.61 -1.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 2r2s h ILE 212 Cb 1.20 1.86 0.00 0.00 -3.03 0.00 0.00 36.82 36.85 2r2s h ILE 212 CO -0.40 0.45 0.00 0.00 -0.68 0.00 0.00 178.15 177.53 2r2s n GLN 213 N -4.38 0.20 -3.18 2.37 6.02 -0.24 -3.87 117.38 114.30 2r2s n GLN 213 Ca -0.06 0.13 -0.23 0.00 -0.01 0.00 0.00 57.00 56.83 2r2s n GLN 213 Cb 0.46 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 2r2s n GLN 213 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2r2s n HIS 214 N -1.34 -0.38 0.30 1.08 8.25 -0.73 -4.94 115.22 117.45 2r2s n HIS 214 Ca 0.08 -3.55 0.16 0.00 -0.26 0.00 0.00 57.72 54.15 2r2s n HIS 214 Cb 0.17 -0.31 0.93 0.00 1.12 0.00 0.00 29.99 31.90 2r2s n HIS 214 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2r2s h PRO 215 N 3.90 0.00 -0.72 -0.41 0.11 -1.67 -2.55 132.00 130.65 2r2s h PRO 215 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2r2s h PRO 215 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2r2s h PRO 215 CO 0.46 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 2r2s n ASP 216 N -3.69 1.81 -4.34 -2.05 3.85 -1.26 -4.87 116.55 106.01 2r2s n ASP 216 Ca -0.03 -2.16 -0.18 0.00 -0.71 0.00 0.00 54.79 51.71 2r2s n ASP 216 Cb 0.11 -0.44 -0.10 0.00 -1.35 0.00 0.00 41.12 39.34 2r2s n ASP 216 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2r2s s LEU 217 N -0.73 2.39 -0.17 -2.12 1.43 -0.96 -4.68 118.68 113.84 2r2s s LEU 217 Ca 0.12 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2r2s s LEU 217 Cb 0.09 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.90 2r2s s LEU 217 CO 0.05 -0.38 -0.16 -0.63 0.23 0.00 0.00 176.35 175.45 2r2s s ILE 218 N -3.24 1.77 -0.22 -0.59 -1.09 -0.55 -4.97 121.20 112.31 2r2s s ILE 218 Ca 0.25 -0.80 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 2r2s s ILE 218 Cb 0.04 -1.65 -0.01 0.00 -1.58 0.00 0.00 42.46 39.25 2r2s s ILE 218 CO 0.07 0.46 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.99 2r2s s LEU 219 N 1.40 2.94 -0.20 2.97 2.96 -1.26 -0.55 118.68 126.94 2r2s s LEU 219 Ca 0.04 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 2r2s s LEU 219 Cb -0.13 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2r2s s LEU 219 CO -0.11 -0.02 0.12 -0.76 -1.32 0.00 0.00 176.35 174.26 2r2s s LEU 220 N 1.46 4.15 -0.10 -0.68 1.02 0.51 -4.94 118.68 120.09 2r2s s LEU 220 Ca 0.06 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.42 2r2s s LEU 220 Cb -0.14 -2.07 0.02 0.00 0.02 0.00 0.00 46.19 44.01 2r2s s LEU 220 CO -0.02 0.17 -0.12 -1.58 0.02 0.00 0.00 176.35 174.82 2r2s s GLN 221 N 0.39 1.82 -0.39 1.70 0.74 -1.26 -0.41 119.66 122.25 2r2s s GLN 221 Ca 0.07 -0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.10 2r2s s GLN 221 Cb -0.11 -1.64 0.16 0.00 1.10 0.00 0.00 33.01 32.51 2r2s s GLN 221 CO -0.01 -0.12 0.34 -0.47 -0.55 0.00 0.00 175.29 174.48 2r2s s TYR 222 N 1.16 0.34 0.00 1.67 5.04 -0.45 -4.90 117.35 120.21 2r2s s TYR 222 Ca -0.04 -1.51 0.00 0.00 -2.44 0.00 0.00 57.07 53.07 2r2s s TYR 222 Cb -0.14 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.50 2r2s s TYR 222 CO -0.03 -0.91 0.00 0.28 -1.34 0.00 0.00 175.55 173.56 2r2s n VAL 223 N 3.67 0.00 0.50 3.14 0.31 -1.26 -1.35 118.33 123.34 2r2s n VAL 223 Ca 0.17 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.63 2r2s n VAL 223 Cb 0.44 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.74 2r2s n VAL 223 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2r2s h ASP 224 N 0.00 0.00 -3.61 4.52 2.03 -1.94 -3.44 116.42 113.98 2r2s h ASP 224 Ca 0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 2r2s h ASP 224 Cb 0.00 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 38.35 2r2s h ASP 224 CO 0.00 0.00 -0.07 -1.81 -1.03 0.00 0.00 179.24 176.33 2r2s s ASP 225 N -4.94 6.30 0.09 4.15 1.01 -0.46 -1.83 116.67 120.99 2r2s s ASP 225 Ca 0.09 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.32 2r2s s ASP 225 Cb 0.10 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 2r2s s ASP 225 CO 0.59 -0.49 -0.10 -0.76 0.21 0.00 0.00 175.17 174.62 2r2s s LEU 226 N 2.37 3.02 -0.07 1.23 1.43 -0.08 -1.34 118.68 125.23 2r2s s LEU 226 Ca 0.18 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2r2s s LEU 226 Cb -0.16 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2r2s s LEU 226 CO 0.13 0.19 0.15 -0.22 0.23 0.00 0.00 176.35 176.84 2r2s s LEU 227 N -2.07 0.24 -0.07 1.79 0.20 0.46 -2.02 118.68 117.21 2r2s s LEU 227 Ca 0.20 0.31 0.02 0.00 0.69 0.00 0.00 54.13 55.35 2r2s s LEU 227 Cb -0.11 0.29 -0.03 0.00 -0.43 0.00 0.00 46.19 45.91 2r2s s LEU 227 CO 0.12 -0.21 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.65 2r2s s LEU 228 N 1.86 2.94 -0.01 -0.68 2.96 -0.64 0.19 118.68 125.29 2r2s s LEU 228 Ca -0.02 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2r2s s LEU 228 Cb -0.12 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2r2s s LEU 228 CO -0.06 0.33 -0.01 0.00 -1.32 0.00 0.00 176.35 175.29 2r2s s ALA 229 N -0.60 0.23 0.23 5.97 0.00 0.28 -1.89 121.76 125.98 2r2s s ALA 229 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2r2s s ALA 229 Cb -0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2r2s s ALA 229 CO 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 175.76 175.82 2r2s s ALA 230 N 0.50 1.57 -0.03 0.00 0.00 -0.27 -1.48 121.76 122.05 2r2s s ALA 230 Ca -0.05 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 49.94 2r2s s ALA 230 Cb -0.07 0.89 -0.14 0.00 0.00 0.00 0.00 23.12 23.79 2r2s s ALA 230 CO -0.01 -0.41 0.89 1.15 0.00 0.00 0.00 175.76 177.37 2r2s h THR 231 N 2.50 0.58 -3.10 0.00 2.02 -1.83 -1.64 112.91 111.43 2r2s h THR 231 Ca -0.38 -0.86 -0.66 0.00 0.77 0.00 0.00 66.41 65.28 2r2s h THR 231 Cb 1.23 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 68.48 2r2s h THR 231 CO 0.61 0.14 -0.58 -0.94 0.37 0.00 0.00 175.52 175.12 2r2s s SER 232 N -5.23 5.66 0.65 4.18 1.04 -1.26 -4.43 113.70 114.31 2r2s s SER 232 Ca -0.12 0.16 0.39 0.00 0.48 0.00 0.00 55.95 56.87 2r2s s SER 232 Cb 0.01 -1.63 2.18 0.00 0.10 0.00 0.00 66.02 66.68 2r2s s SER 232 CO 0.43 0.29 2.28 -0.08 0.98 0.00 0.00 173.24 177.14 2r2s h GLU 233 N 4.29 0.00 -0.01 4.02 4.81 -1.97 -0.03 114.58 125.69 2r2s h GLU 233 Ca -0.50 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2r2s h GLU 233 Cb 1.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2r2s h GLU 233 CO 0.61 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 180.13 2r2s h LEU 234 N 0.00 0.02 0.19 1.64 5.85 -1.99 -2.72 115.31 118.31 2r2s h LEU 234 Ca 0.01 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2r2s h LEU 234 Cb 0.13 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2r2s h LEU 234 CO -0.00 0.52 -0.09 0.44 -0.34 0.00 0.00 178.44 178.97 2r2s h ASP 235 N -0.47 -0.22 -0.99 1.25 3.45 -1.57 -1.95 116.42 115.91 2r2s h ASP 235 Ca 0.00 0.01 0.36 0.00 0.43 0.00 0.00 57.03 57.83 2r2s h ASP 235 Cb 0.51 0.06 -0.16 0.00 -0.56 0.00 0.00 39.33 39.18 2r2s h ASP 235 CO 0.00 -0.16 0.51 0.00 -1.57 0.00 0.00 179.24 178.03 2r2s h GLN 237 N 0.17 0.45 -0.60 0.00 4.20 -1.13 -0.40 115.11 117.80 2r2s h GLN 237 Ca 0.77 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 2r2s h GLN 237 Cb 1.87 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.77 2r2s h GLN 237 CO -0.69 1.15 0.21 1.96 -0.67 0.00 0.00 178.83 180.79 2r2s h GLN 238 N -0.05 0.88 -0.03 1.46 1.08 -0.09 -2.17 115.11 116.20 2r2s h GLN 238 Ca -0.09 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2r2s h GLN 238 Cb 1.41 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2r2s h GLN 238 CO 0.14 0.74 0.00 0.78 -0.95 0.00 0.00 178.83 179.54 2r2s h GLY 239 N 0.99 0.05 0.76 3.46 0.00 0.11 -2.54 103.07 105.89 2r2s h GLY 239 Ca 0.20 -0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.64 2r2s h GLY 239 CO -0.01 0.03 0.48 -0.84 0.00 0.00 0.00 176.54 176.20 2r2s h THR 240 N -0.21 0.81 0.12 4.70 2.02 -0.74 -0.55 112.91 119.07 2r2s h THR 240 Ca 0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2r2s h THR 240 Cb 0.27 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2r2s h THR 240 CO 0.00 0.07 -0.06 0.03 0.37 0.00 0.00 175.52 175.93 2r2s h ARG 241 N 0.40 -0.16 -0.61 6.66 3.08 -1.22 0.13 114.38 122.66 2r2s h ARG 241 Ca 0.35 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.52 2r2s h ARG 241 Cb 0.80 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.80 2r2s h ARG 241 CO -0.11 0.30 0.16 0.00 -1.07 0.00 0.00 179.97 179.25 2r2s h ALA 242 N 0.03 0.75 0.42 0.04 0.00 -1.03 0.62 119.26 120.09 2r2s h ALA 242 Ca -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2r2s h ALA 242 Cb 0.53 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2r2s h ALA 242 CO 0.03 -0.28 -0.21 1.25 0.00 0.00 0.00 179.25 180.04 2r2s h LEU 243 N 0.30 -0.51 -0.60 0.00 5.85 -1.07 0.18 115.31 119.46 2r2s h LEU 243 Ca 0.32 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.08 2r2s h LEU 243 Cb 0.46 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2r2s h LEU 243 CO -0.38 -0.35 0.37 -0.07 -0.34 0.00 0.00 178.44 177.67 2r2s h LEU 244 N -0.58 0.62 -0.67 2.25 3.38 -0.10 0.29 115.31 120.50 2r2s h LEU 244 Ca -0.05 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2r2s h LEU 244 Cb 0.45 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2r2s h LEU 244 CO 0.08 0.43 0.44 -0.61 0.09 0.00 0.00 178.44 178.87 2r2s h GLN 245 N 0.74 0.86 -0.19 1.13 5.75 0.41 -1.58 115.11 122.23 2r2s h GLN 245 Ca 0.24 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 2r2s h GLN 245 Cb -0.00 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 2r2s h GLN 245 CO -0.09 0.57 0.00 1.15 -2.65 0.00 0.00 178.83 177.81 2r2s h THR 246 N 0.89 1.25 0.37 2.39 2.02 0.44 -0.31 112.91 119.96 2r2s h THR 246 Ca 0.25 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2r2s h THR 246 Cb -0.09 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2r2s h THR 246 CO -0.06 0.26 -0.37 -0.07 0.37 0.00 0.00 175.52 175.65 2r2s h LEU 247 N 0.10 -1.02 -0.81 2.58 3.38 -0.30 0.21 115.31 119.46 2r2s h LEU 247 Ca 0.06 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2r2s h LEU 247 Cb 0.39 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2r2s h LEU 247 CO 0.01 -0.52 0.43 1.23 0.09 0.00 0.00 178.44 179.68 2r2s h GLY 248 N -0.77 1.26 0.85 0.83 0.00 -1.31 -0.14 103.07 103.80 2r2s h GLY 248 Ca -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2r2s h GLY 248 CO -0.07 0.06 -0.43 3.43 0.00 0.00 0.00 176.54 179.54 2r2s h ASN 249 N 0.70 -1.07 -0.08 0.19 4.21 -0.23 -2.78 115.58 116.52 2r2s h ASN 249 Ca 0.41 0.06 0.02 0.00 1.21 0.00 0.00 56.30 58.00 2r2s h ASN 249 Cb 0.46 0.31 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2r2s h ASN 249 CO -0.29 -0.67 0.12 -0.07 -1.29 0.00 0.00 177.43 175.23 2r2s h LEU 250 N -1.07 0.00 0.00 1.61 3.38 -0.24 -3.46 115.31 115.53 2r2s h LEU 250 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2r2s h LEU 250 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2r2s h LEU 250 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2r2s n GLY 251 N -1.31 1.54 3.85 0.83 0.00 -0.53 -3.28 105.19 106.29 2r2s n GLY 251 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2r2s n GLY 251 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r2s s TYR 252 N -2.00 3.29 -0.02 1.61 2.02 -0.18 -0.56 117.35 121.51 2r2s s TYR 252 Ca 0.00 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 2r2s s TYR 252 Cb 0.00 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2r2s s TYR 252 CO 0.00 0.52 -0.14 1.03 -1.57 0.00 0.00 175.55 175.39 2r2s s ARG 253 N -3.01 1.28 0.02 -0.62 1.81 -1.26 -3.50 118.95 113.67 2r2s s ARG 253 Ca 0.32 -0.51 0.06 0.00 -1.72 0.00 0.00 55.73 53.88 2r2s s ARG 253 Cb -0.11 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.16 2r2s s ARG 253 CO 0.25 0.27 -0.15 0.00 -0.68 0.00 0.00 175.30 174.99 2r2s s ALA 254 N -0.19 2.68 -0.65 2.13 0.00 -0.61 -0.54 121.76 124.57 2r2s s ALA 254 Ca 0.03 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 2r2s s ALA 254 Cb -0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 2r2s s ALA 254 CO 0.00 0.58 1.72 0.45 0.00 0.00 0.00 175.76 178.51 2r2s s SER 255 N -1.31 5.49 0.37 0.00 0.15 0.26 -2.12 113.70 116.54 2r2s s SER 255 Ca 0.15 0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.99 2r2s s SER 255 Cb -0.11 -2.54 0.81 0.00 -1.71 0.00 0.00 66.02 62.47 2r2s s SER 255 CO 0.05 -2.25 1.95 0.00 1.20 0.00 0.00 173.24 174.19 2r2s h ALA 256 N 13.67 1.78 -2.61 5.45 0.00 -1.93 -3.09 119.26 132.53 2r2s h ALA 256 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2r2s h ALA 256 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2r2s h ALA 256 CO 1.23 0.08 0.00 1.17 0.00 0.00 0.00 179.25 181.73 2r2s n LYS 257 N -4.49 0.00 -1.40 0.00 3.00 -1.26 -2.68 118.16 111.33 2r2s n LYS 257 Ca 0.12 0.43 -0.30 0.00 -0.00 0.00 0.00 58.31 58.55 2r2s n LYS 257 Cb 0.29 -1.07 -0.07 0.00 0.00 0.00 0.00 35.03 34.19 2r2s n LYS 257 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2r2s n LYS 258 N -1.10 3.22 -4.26 1.64 2.85 -1.17 -4.93 118.16 114.40 2r2s n LYS 258 Ca 0.00 -2.16 -0.26 0.00 -1.05 0.00 0.00 58.31 54.85 2r2s n LYS 258 Cb 0.00 -2.44 -0.08 0.00 -0.65 0.00 0.00 35.03 31.86 2r2s n LYS 258 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2r2s s ALA 259 N 0.52 3.09 -0.16 0.58 0.00 -1.09 -4.74 121.76 119.97 2r2s s ALA 259 Ca 0.64 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2r2s s ALA 259 Cb 0.25 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.58 2r2s s ALA 259 CO -0.08 0.41 -0.04 -0.65 0.00 0.00 0.00 175.76 175.40 2r2s s GLN 260 N -3.11 1.31 -0.11 0.00 -0.21 -0.67 -5.00 119.66 111.87 2r2s s GLN 260 Ca 0.28 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 55.24 2r2s s GLN 260 Cb -0.08 -1.89 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 2r2s s GLN 260 CO 0.18 -0.42 -0.18 0.42 -2.12 0.00 0.00 175.29 173.17 2r2s s ILE 261 N 1.69 2.65 -0.02 1.08 1.01 -1.26 0.51 121.20 126.86 2r2s s ILE 261 Ca 0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2r2s s ILE 261 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2r2s s ILE 261 CO -0.08 0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.41 2r2s s GLN 263 N -0.87 1.65 0.00 0.00 -1.52 0.53 -4.88 119.66 114.57 2r2s s GLN 263 Ca -0.00 -1.73 0.00 0.00 -1.95 0.00 0.00 55.36 51.68 2r2s s GLN 263 Cb 0.00 0.37 0.00 0.00 -0.22 0.00 0.00 33.01 33.16 2r2s s GLN 263 CO 0.05 -0.64 0.37 1.63 -0.25 0.00 0.00 175.29 176.45 2r2s n LYS 264 N -0.49 0.81 -3.65 2.91 5.02 -1.26 0.13 118.16 121.64 2r2s n LYS 264 Ca 0.03 -0.37 -0.25 0.00 -2.02 0.00 0.00 58.31 55.70 2r2s n LYS 264 Cb 0.63 -0.86 -0.17 0.00 -0.02 0.00 0.00 35.03 34.60 2r2s n LYS 264 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2r2s s GLN 265 N -0.22 0.15 -0.05 1.97 0.74 -1.24 -3.06 119.66 117.95 2r2s s GLN 265 Ca 0.00 -0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.31 2r2s s GLN 265 Cb 0.00 -1.61 0.01 0.00 1.10 0.00 0.00 33.01 32.51 2r2s s GLN 265 CO 0.00 -0.59 0.14 0.14 -0.55 0.00 0.00 175.29 174.43 2r2s s VAL 266 N 2.10 0.01 -0.24 1.34 -7.23 -0.58 -4.97 120.40 110.83 2r2s s VAL 266 Ca 0.02 -0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 59.90 2r2s s VAL 266 Cb -0.15 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 2r2s s VAL 266 CO -0.08 -0.04 0.67 -0.75 -0.31 0.00 0.00 175.10 174.59 2r2s s LYS 267 N -0.09 4.15 -0.01 4.82 2.36 -1.26 -0.70 119.74 129.01 2r2s s LYS 267 Ca -0.02 0.65 0.00 0.00 -2.55 0.00 0.00 55.97 54.06 2r2s s LYS 267 Cb -0.02 -3.63 0.01 0.00 -1.05 0.00 0.00 37.83 33.15 2r2s s LYS 267 CO 0.00 -0.39 -0.00 -0.47 1.55 0.00 0.00 175.35 176.04 2r2s s TYR 268 N 2.41 0.17 -0.73 4.03 5.04 0.49 -4.85 117.35 123.90 2r2s s TYR 268 Ca 0.29 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 2r2s s TYR 268 Cb -0.16 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 41.95 2r2s s TYR 268 CO 0.09 -0.05 0.00 1.28 -1.34 0.00 0.00 175.55 175.53 2r2s n LEU 269 N 3.53 -0.66 0.00 6.97 4.77 -1.26 0.32 117.00 130.66 2r2s n LEU 269 Ca -0.19 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2r2s n LEU 269 Cb 0.55 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2r2s n LEU 269 CO 0.24 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2r2s n GLY 270 N -0.47 0.75 3.55 -0.72 0.00 -1.26 -5.05 105.19 101.99 2r2s n GLY 270 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2r2s n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r2s s TYR 271 N -2.37 2.71 -0.28 1.61 1.51 0.15 -5.10 117.35 115.58 2r2s s TYR 271 Ca 0.00 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 55.79 2r2s s TYR 271 Cb 0.00 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2r2s s TYR 271 CO 0.00 0.39 0.16 -1.17 -1.11 0.00 0.00 175.55 173.82 2r2s s LEU 272 N -2.00 3.93 -0.37 -1.29 2.96 -1.26 -0.38 118.68 120.25 2r2s s LEU 272 Ca 0.20 -0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 53.78 2r2s s LEU 272 Cb -0.11 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2r2s s LEU 272 CO 0.11 -0.08 0.44 -0.76 -1.32 0.00 0.00 176.35 174.74 2r2s s LEU 273 N 1.70 4.56 -0.24 -0.68 1.02 0.12 -4.07 118.68 121.09 2r2s s LEU 273 Ca 0.06 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.86 2r2s s LEU 273 Cb -0.16 -2.44 0.08 0.00 0.02 0.00 0.00 46.19 43.69 2r2s s LEU 273 CO 0.08 -0.48 0.07 -0.75 0.02 0.00 0.00 176.35 175.30 2r2s s LYS 274 N 2.20 0.55 0.00 1.70 2.47 -1.24 -1.52 119.74 123.90 2r2s s LYS 274 Ca 0.14 -0.59 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 2r2s s LYS 274 Cb -0.16 -1.91 0.00 0.00 -1.46 0.00 0.00 37.83 34.30 2r2s s LYS 274 CO 0.13 -0.80 0.00 0.39 0.16 0.00 0.00 175.35 175.23 2r2s n GLU 275 N 5.04 -0.64 0.00 4.03 1.02 -1.17 -1.30 120.64 127.63 2r2s n GLU 275 Ca -0.07 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2r2s n GLU 275 Cb 0.45 -4.59 0.00 0.00 -0.02 0.00 0.00 31.44 27.28 2r2s n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r2s n GLY 276 N -1.05 1.92 3.85 0.62 0.00 -1.26 -5.00 105.19 104.26 2r2s n GLY 276 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2r2s n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r2s s GLN 277 N -0.48 3.24 0.00 1.61 -1.52 -0.42 -5.10 119.66 117.00 2r2s s GLN 277 Ca 0.00 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 2r2s s GLN 277 Cb 0.00 -2.96 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 2r2s s GLN 277 CO 0.00 0.64 0.00 0.54 -0.25 0.00 0.00 175.29 176.22