#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4g h HIS 12 N 0.00 0.00 -4.41 0.00 -0.00 -1.98 -3.37 115.15 105.38 2x4g h HIS 12 Ca 0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 60.37 59.67 2x4g h HIS 12 Cb 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 27.13 2x4g h HIS 12 CO 0.00 0.00 -0.87 0.08 -0.00 0.00 0.00 177.93 177.14 2x4g s VAL 13 N -3.74 2.23 -0.19 6.12 1.01 -1.26 -5.02 120.40 119.54 2x4g s VAL 13 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2x4g s VAL 13 Cb 0.08 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.66 2x4g s VAL 13 CO 0.25 0.50 -0.18 -0.75 0.00 0.00 0.00 175.10 174.92 2x4g s LYS 14 N -0.87 2.88 0.00 2.72 2.20 -1.26 -0.38 119.74 125.03 2x4g s LYS 14 Ca 0.11 -0.91 0.08 0.00 -0.36 0.00 0.00 55.97 54.89 2x4g s LYS 14 Cb -0.10 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2x4g s LYS 14 CO 0.01 -0.27 -0.25 0.71 -0.36 0.00 0.00 175.35 175.19 2x4g s TYR 15 N 1.26 2.23 0.19 4.03 1.51 -0.51 -0.13 117.35 125.93 2x4g s TYR 15 Ca 0.03 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 2x4g s TYR 15 Cb -0.14 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2x4g s TYR 15 CO -0.12 0.02 0.01 0.00 -1.11 0.00 0.00 175.55 174.36 2x4g s ALA 16 N -0.66 3.23 -0.06 3.71 0.00 -0.30 -0.89 121.76 126.78 2x4g s ALA 16 Ca 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2x4g s ALA 16 Cb -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.07 2x4g s ALA 16 CO 0.00 0.43 -0.04 0.08 0.00 0.00 0.00 175.76 176.24 2x4g s VAL 17 N -1.86 0.56 -0.07 0.00 1.01 -0.37 -0.66 120.40 119.01 2x4g s VAL 17 Ca 0.29 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2x4g s VAL 17 Cb -0.09 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2x4g s VAL 17 CO 0.19 0.26 0.28 -0.76 0.00 0.00 0.00 175.10 175.07 2x4g s LEU 18 N 1.35 4.41 0.00 3.92 1.02 -0.36 -1.81 118.68 127.22 2x4g s LEU 18 Ca -0.04 0.70 0.00 0.00 0.02 0.00 0.00 54.13 54.81 2x4g s LEU 18 Cb -0.13 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.74 2x4g s LEU 18 CO -0.03 0.34 0.00 0.61 0.02 0.00 0.00 176.35 177.29 2x4g n GLY 19 N 2.06 0.57 0.25 -3.19 0.00 -1.25 -1.89 105.19 101.73 2x4g n GLY 19 Ca -0.16 -0.80 0.17 0.00 0.00 0.00 0.00 46.02 45.23 2x4g n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4g h ALA 20 N 0.00 1.00 0.00 4.61 0.00 -1.83 -2.62 119.26 120.41 2x4g h ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x4g h ALA 20 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2x4g h ALA 20 CO 0.00 0.00 -0.47 0.25 0.00 0.00 0.00 179.25 179.03 2x4g n THR 21 N -2.79 0.43 -1.38 0.00 -2.24 -1.26 -1.98 114.28 105.06 2x4g n THR 21 Ca -0.00 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 2x4g n THR 21 Cb 0.18 -0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.29 2x4g n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x4g s GLY 22 N -3.65 1.60 0.10 3.38 0.00 -0.99 -4.83 107.32 102.93 2x4g s GLY 22 Ca 0.07 -0.29 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 2x4g s GLY 22 CO 0.69 0.23 1.70 -2.00 0.00 0.00 0.00 173.10 173.72 2x4g h LEU 23 N -1.49 -0.30 -0.15 0.66 5.85 -1.87 -1.03 115.31 116.99 2x4g h LEU 23 Ca -0.50 0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.02 2x4g h LEU 23 Cb 1.30 0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.45 2x4g h LEU 23 CO 0.58 -0.17 -0.90 0.25 -0.34 0.00 0.00 178.44 177.86 2x4g h LEU 24 N -0.24 0.76 -1.15 2.25 5.85 -1.92 -3.07 115.31 117.79 2x4g h LEU 24 Ca 0.01 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 2x4g h LEU 24 Cb 0.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2x4g h LEU 24 CO -0.04 1.35 0.24 1.23 -0.34 0.00 0.00 178.44 180.89 2x4g h GLY 25 N 0.80 0.90 1.07 3.75 0.00 -1.67 -1.29 103.07 106.62 2x4g h GLY 25 Ca -0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 2x4g h GLY 25 CO 0.17 0.42 0.11 0.84 0.00 0.00 0.00 176.54 178.09 2x4g h HIS 26 N 0.83 1.18 0.00 5.60 -0.00 -0.53 0.13 115.15 122.36 2x4g h HIS 26 Ca 0.20 -0.16 -0.16 0.00 -0.00 0.00 0.00 60.37 60.25 2x4g h HIS 26 Cb 0.15 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 2x4g h HIS 26 CO 0.01 0.99 -0.74 0.45 -0.00 0.00 0.00 177.93 178.63 2x4g h HIS 27 N 1.03 0.00 -0.13 5.26 -0.00 -1.43 -1.38 115.15 118.50 2x4g h HIS 27 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 2x4g h HIS 27 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2x4g h HIS 27 CO 0.03 0.74 0.06 0.00 -0.00 0.00 0.00 177.93 178.77 2x4g h ALA 28 N 1.26 0.17 -0.17 2.45 0.00 -0.68 -1.97 119.26 120.31 2x4g h ALA 28 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2x4g h ALA 28 Cb 1.36 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2x4g h ALA 28 CO 0.10 -0.25 -0.20 0.00 0.00 0.00 0.00 179.25 178.90 2x4g h ALA 29 N 0.91 -0.10 -0.95 0.00 0.00 -0.76 -0.97 119.26 117.38 2x4g h ALA 29 Ca 0.04 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2x4g h ALA 29 Cb 0.15 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2x4g h ALA 29 CO -0.00 -0.64 0.57 0.00 0.00 0.00 0.00 179.25 179.18 2x4g h ARG 30 N -0.23 0.82 -0.40 0.00 3.08 -1.24 -1.00 114.38 115.40 2x4g h ARG 30 Ca 0.11 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2x4g h ARG 30 Cb 0.39 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2x4g h ARG 30 CO -0.31 0.54 -0.11 0.00 -1.07 0.00 0.00 179.97 179.03 2x4g h ALA 31 N 1.56 1.06 -0.51 0.04 0.00 -0.42 0.34 119.26 121.32 2x4g h ALA 31 Ca 0.50 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2x4g h ALA 31 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2x4g h ALA 31 CO -0.31 0.58 -0.07 0.82 0.00 0.00 0.00 179.25 180.27 2x4g h ILE 32 N 0.65 1.27 -0.35 0.00 2.04 -0.47 -0.94 117.51 119.71 2x4g h ILE 32 Ca 0.11 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 2x4g h ILE 32 Cb 0.56 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2x4g h ILE 32 CO 0.03 0.42 0.03 -0.09 0.00 0.00 0.00 178.15 178.54 2x4g h ARG 33 N 0.82 0.59 -0.28 2.37 9.65 -0.88 -2.58 114.38 124.07 2x4g h ARG 33 Ca 0.14 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2x4g h ARG 33 Cb 0.62 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2x4g h ARG 33 CO 0.04 0.69 0.14 0.00 2.80 0.00 0.00 179.97 183.64 2x4g h ALA 34 N 0.88 1.72 0.00 2.80 0.00 -0.11 -1.08 119.26 123.47 2x4g h ALA 34 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x4g h ALA 34 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2x4g h ALA 34 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2x4g n ALA 35 N -2.49 2.32 -1.96 0.00 0.00 -0.38 -4.90 120.51 113.10 2x4g n ALA 35 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 2x4g n ALA 35 Cb 0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2x4g n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x4g n GLY 36 N 0.69 0.25 3.94 0.00 0.00 -0.41 -5.05 105.19 104.61 2x4g n GLY 36 Ca 0.15 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2x4g n GLY 36 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x4g s HIS 37 N -2.43 3.22 -0.01 1.61 3.76 -0.98 -4.66 115.29 115.80 2x4g s HIS 37 Ca 0.00 0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.98 2x4g s HIS 37 Cb 0.00 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 2x4g s HIS 37 CO 0.00 -0.54 0.94 -0.51 -0.85 0.00 0.00 174.74 173.78 2x4g s ASP 38 N -4.25 7.31 -0.20 1.40 -0.00 0.49 -4.57 116.67 116.85 2x4g s ASP 38 Ca 0.51 1.59 -0.07 0.00 -0.00 0.00 0.00 52.55 54.57 2x4g s ASP 38 Cb -0.10 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.23 2x4g s ASP 38 CO 0.40 -0.25 0.06 -0.22 -0.00 0.00 0.00 175.17 175.17 2x4g s LEU 39 N 1.01 3.73 -0.08 1.23 2.96 -1.26 -1.43 118.68 124.84 2x4g s LEU 39 Ca 0.50 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2x4g s LEU 39 Cb -0.20 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2x4g s LEU 39 CO 0.26 0.13 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.61 2x4g s VAL 40 N 0.64 3.25 -0.25 1.68 1.01 -0.07 -1.50 120.40 125.16 2x4g s VAL 40 Ca 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2x4g s VAL 40 Cb -0.13 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2x4g s VAL 40 CO 0.02 0.57 -0.08 -0.76 0.00 0.00 0.00 175.10 174.84 2x4g s LEU 41 N -0.41 3.16 -0.33 3.92 1.43 -0.07 -1.23 118.68 125.14 2x4g s LEU 41 Ca 0.05 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 52.00 2x4g s LEU 41 Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2x4g s LEU 41 CO 0.02 -0.13 0.50 -0.63 0.23 0.00 0.00 176.35 176.33 2x4g s ILE 42 N 1.27 5.04 0.12 -0.59 1.01 -0.75 -1.40 121.20 125.90 2x4g s ILE 42 Ca -0.01 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.10 2x4g s ILE 42 Cb -0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2x4g s ILE 42 CO -0.05 -0.14 -0.10 -1.38 0.00 0.00 0.00 174.94 173.26 2x4g s HIS 43 N 2.34 1.17 0.50 3.97 -3.43 -0.86 -3.97 115.29 115.01 2x4g s HIS 43 Ca 0.18 -0.69 -0.16 0.00 -0.80 0.00 0.00 55.06 53.59 2x4g s HIS 43 Cb -0.16 -0.62 -0.08 0.00 -1.43 0.00 0.00 32.58 30.30 2x4g s HIS 43 CO 0.12 0.04 0.97 -0.98 -2.00 0.00 0.00 174.74 172.89 2x4g s ARG 44 N -3.17 3.96 0.43 -0.38 1.70 -1.24 -1.06 118.95 119.19 2x4g s ARG 44 Ca 0.10 0.93 0.13 0.00 -0.47 0.00 0.00 55.73 56.42 2x4g s ARG 44 Cb -0.01 -2.16 0.96 0.00 -0.57 0.00 0.00 34.95 33.17 2x4g s ARG 44 CO 0.00 -0.24 1.99 -1.00 -1.08 0.00 0.00 175.30 174.98 2x4g h PRO 45 N 1.01 0.11 0.00 3.89 0.13 -1.96 -1.39 132.00 133.78 2x4g h PRO 45 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2x4g h PRO 45 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2x4g h PRO 45 CO 0.62 0.23 0.00 0.66 -0.23 0.00 0.00 178.00 179.28 2x4g h SER 46 N 0.10 0.00 -4.12 1.44 4.64 -1.98 -3.46 113.55 110.16 2x4g h SER 46 Ca 0.02 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.88 2x4g h SER 46 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2x4g h SER 46 CO 0.02 0.00 0.34 -0.94 -0.87 0.00 0.00 176.83 175.38 2x4g s SER 47 N -5.16 6.69 -1.08 4.97 1.04 -0.53 -4.96 113.70 114.68 2x4g s SER 47 Ca 0.02 1.56 -0.05 0.00 0.48 0.00 0.00 55.95 57.96 2x4g s SER 47 Cb 0.09 -2.50 0.30 0.00 0.10 0.00 0.00 66.02 64.01 2x4g s SER 47 CO 0.49 -0.51 1.34 1.67 0.98 0.00 0.00 173.24 177.20 2x4g n GLN 48 N -1.32 4.12 0.18 4.02 7.27 -1.26 -4.76 117.38 125.64 2x4g n GLN 48 Ca 0.06 -4.53 0.13 0.00 0.07 0.00 0.00 57.00 52.73 2x4g n GLN 48 Cb 0.54 -2.51 0.34 0.00 2.41 0.00 0.00 30.24 31.02 2x4g n GLN 48 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 2x4g h ILE 49 N 3.49 0.00 0.00 1.69 6.09 -1.93 -2.99 117.51 123.87 2x4g h ILE 49 Ca 0.19 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 2x4g h ILE 49 Cb 0.69 1.68 0.00 0.00 0.47 0.00 0.00 36.82 39.66 2x4g h ILE 49 CO 1.22 0.00 0.03 0.00 -3.07 0.00 0.00 178.15 176.33 2x4g n GLN 50 N -2.76 0.07 0.15 2.19 0.00 -1.26 -0.41 117.38 115.35 2x4g n GLN 50 Ca 0.04 0.56 0.11 0.00 0.00 0.00 0.00 57.00 57.71 2x4g n GLN 50 Cb 0.44 -1.76 0.54 0.00 0.00 0.00 0.00 30.24 29.46 2x4g n GLN 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2x4g n ARG 51 N -1.88 0.17 -0.14 2.61 1.74 -1.13 -2.66 116.66 115.37 2x4g n ARG 51 Ca -0.01 0.53 0.06 0.00 -0.77 0.00 0.00 57.85 57.67 2x4g n ARG 51 Cb 0.05 -1.92 0.14 0.00 -1.02 0.00 0.00 32.46 29.70 2x4g n ARG 51 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2x4g n LEU 52 N -2.25 2.76 -0.20 0.55 4.32 0.45 -4.65 117.00 117.97 2x4g n LEU 52 Ca 0.00 -1.74 0.13 0.00 -0.02 0.00 0.00 56.01 54.39 2x4g n LEU 52 Cb 0.13 -0.19 0.44 0.00 -1.62 0.00 0.00 43.42 42.19 2x4g n LEU 52 CO 0.15 0.66 1.21 0.00 -1.22 0.00 0.00 177.39 178.19 2x4g h ALA 53 N 2.28 1.97 -0.42 -1.18 0.00 -1.60 -0.64 119.26 119.68 2x4g h ALA 53 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2x4g h ALA 53 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2x4g h ALA 53 CO 0.00 -0.18 0.38 0.10 0.00 0.00 0.00 179.25 179.55 2x4g h TYR 54 N 0.55 0.00 0.00 0.00 -0.00 -1.84 0.32 116.97 116.00 2x4g h TYR 54 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.12 2x4g h TYR 54 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.48 2x4g h TYR 54 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 2x4g n LEU 55 N -3.97 0.00 -3.72 0.10 4.77 -0.25 -4.91 117.00 109.03 2x4g n LEU 55 Ca 0.07 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 2x4g n LEU 55 Cb 0.57 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2x4g n LEU 55 CO 0.31 -0.06 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.58 2x4g n GLU 56 N -1.22 -2.66 -1.98 3.23 1.02 0.11 -4.96 120.64 114.18 2x4g n GLU 56 Ca 0.12 0.51 -0.30 0.00 -0.02 0.00 0.00 57.16 57.47 2x4g n GLU 56 Cb 0.15 -4.58 0.02 0.00 -0.02 0.00 0.00 31.44 27.02 2x4g n GLU 56 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2x4g s PRO 57 N -6.02 3.29 -0.20 3.49 0.04 -1.26 -4.87 135.00 129.47 2x4g s PRO 57 Ca 0.25 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 2x4g s PRO 57 Cb -0.08 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2x4g s PRO 57 CO 0.85 -0.71 0.20 -2.00 0.04 0.00 0.00 177.00 175.38 2x4g s GLU 58 N -5.19 4.17 -0.11 4.56 2.12 -0.56 -4.99 118.70 118.69 2x4g s GLU 58 Ca 0.55 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 2x4g s GLU 58 Cb -0.11 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 2x4g s GLU 58 CO 0.52 0.17 -0.08 0.00 -0.54 0.00 0.00 175.26 175.33 2x4g s ARG 60 N -0.15 2.08 0.07 0.00 0.52 -0.50 -4.96 118.95 116.01 2x4g s ARG 60 Ca 0.01 -0.52 -0.24 0.00 -0.52 0.00 0.00 55.73 54.47 2x4g s ARG 60 Cb -0.13 -1.78 -0.06 0.00 0.52 0.00 0.00 34.95 33.50 2x4g s ARG 60 CO 0.03 -0.05 0.71 0.08 0.02 0.00 0.00 175.30 176.09 2x4g s VAL 61 N 0.96 4.66 -0.30 3.52 1.01 -1.26 -2.03 120.40 126.96 2x4g s VAL 61 Ca -0.08 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.31 2x4g s VAL 61 Cb -0.15 -4.06 0.14 0.00 0.00 0.00 0.00 36.38 32.30 2x4g s VAL 61 CO -0.01 0.44 0.78 0.00 0.00 0.00 0.00 175.10 176.32 2x4g s ALA 62 N -0.51 -2.26 0.34 5.51 0.00 -0.23 -4.83 121.76 119.78 2x4g s ALA 62 Ca 0.35 2.25 -0.27 0.00 0.00 0.00 0.00 51.96 54.30 2x4g s ALA 62 Cb -0.21 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 2x4g s ALA 62 CO 0.22 -0.85 1.08 -1.21 0.00 0.00 0.00 175.76 175.00 2x4g s GLU 63 N 2.55 4.40 0.00 0.00 2.02 -1.26 -3.63 118.70 122.78 2x4g s GLU 63 Ca -0.05 1.66 0.09 0.00 0.02 0.00 0.00 54.97 56.69 2x4g s GLU 63 Cb -0.09 -2.87 0.52 0.00 0.10 0.00 0.00 34.13 31.79 2x4g s GLU 63 CO -0.18 0.03 1.30 -1.33 0.02 0.00 0.00 175.26 175.10 2x4g n MET 64 N 0.56 0.96 -0.82 1.61 2.81 -1.26 -2.40 117.12 118.59 2x4g n MET 64 Ca 0.02 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.96 2x4g n MET 64 Cb 0.47 -1.14 0.16 0.00 -0.71 0.00 0.00 33.22 32.00 2x4g n MET 64 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2x4g n LEU 65 N -0.64 2.30 -3.67 4.03 4.77 -1.26 -4.70 117.00 117.82 2x4g n LEU 65 Ca 0.06 -3.45 -0.28 0.00 -0.03 0.00 0.00 56.01 52.31 2x4g n LEU 65 Cb 0.03 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.60 2x4g n LEU 65 CO 0.05 1.19 -0.20 -0.62 -1.33 0.00 0.00 177.39 176.48 2x4g s ASP 66 N -2.94 3.33 0.54 -1.43 2.15 -1.01 -5.01 116.67 112.31 2x4g s ASP 66 Ca 0.37 -3.19 0.22 0.00 0.43 0.00 0.00 52.55 50.38 2x4g s ASP 66 Cb 0.37 -1.04 1.42 0.00 -0.30 0.00 0.00 42.92 43.37 2x4g s ASP 66 CO -0.09 -0.17 2.12 0.45 -0.17 0.00 0.00 175.17 177.31 2x4g h HIS 67 N 5.93 0.00 -0.56 -5.34 3.86 -1.92 0.11 115.15 117.22 2x4g h HIS 67 Ca 0.13 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 2x4g h HIS 67 Cb 0.86 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 2x4g h HIS 67 CO 0.48 0.00 0.10 0.00 0.86 0.00 0.00 177.93 179.37 2x4g h ALA 68 N 1.91 0.74 0.10 2.45 0.00 -1.97 -3.02 119.26 119.47 2x4g h ALA 68 Ca 0.07 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 2x4g h ALA 68 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2x4g h ALA 68 CO -0.00 0.48 -1.33 0.78 0.00 0.00 0.00 179.25 179.17 2x4g h GLY 69 N 0.82 0.23 0.80 0.00 0.00 -1.37 -2.56 103.07 100.99 2x4g h GLY 69 Ca 0.17 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2x4g h GLY 69 CO 0.01 0.52 -0.03 1.41 0.00 0.00 0.00 176.54 178.45 2x4g h LEU 70 N 0.06 -0.07 -0.75 3.11 3.38 -1.46 0.12 115.31 119.70 2x4g h LEU 70 Ca -0.16 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 57.78 2x4g h LEU 70 Cb 1.96 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 42.62 2x4g h LEU 70 CO 0.17 0.15 0.24 -0.33 0.09 0.00 0.00 178.44 178.76 2x4g h GLU 71 N -0.28 0.33 -0.21 1.13 5.08 -1.59 0.46 114.58 119.50 2x4g h GLU 71 Ca -0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2x4g h GLU 71 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2x4g h GLU 71 CO 0.01 0.22 -0.22 -0.09 -1.00 0.00 0.00 179.01 177.94 2x4g h ARG 72 N 0.34 0.51 0.00 2.33 2.43 -1.33 -2.92 114.38 115.75 2x4g h ARG 72 Ca 0.42 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2x4g h ARG 72 Cb 0.69 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2x4g h ARG 72 CO -0.47 0.86 -0.12 0.00 -1.51 0.00 0.00 179.97 178.73 2x4g h ALA 73 N 0.65 1.18 -0.34 2.80 0.00 0.41 -2.58 119.26 121.37 2x4g h ALA 73 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x4g h ALA 73 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2x4g h ALA 73 CO 0.05 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2x4g n LEU 74 N -3.49 2.35 -4.77 0.00 4.77 0.15 -4.95 117.00 111.06 2x4g n LEU 74 Ca -0.01 -1.08 -0.40 0.00 -0.03 0.00 0.00 56.01 54.48 2x4g n LEU 74 Cb 0.27 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2x4g n LEU 74 CO 0.29 0.54 0.97 0.00 -1.33 0.00 0.00 177.39 177.86 2x4g s ARG 75 N -1.55 4.24 -1.30 3.23 1.70 -0.98 -4.05 118.95 120.23 2x4g s ARG 75 Ca 0.33 2.18 -0.06 0.00 -0.47 0.00 0.00 55.73 57.71 2x4g s ARG 75 Cb 0.18 -2.97 0.01 0.00 -0.57 0.00 0.00 34.95 31.60 2x4g s ARG 75 CO 0.25 -0.28 0.84 0.41 -1.08 0.00 0.00 175.30 175.44 2x4g n GLY 76 N 0.75 -0.40 3.76 3.88 0.00 -1.26 -4.99 105.19 106.93 2x4g n GLY 76 Ca 0.01 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2x4g n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4g s LEU 77 N -6.40 3.75 0.00 0.99 1.43 -1.26 -4.88 118.68 112.32 2x4g s LEU 77 Ca 0.41 -0.02 0.25 0.00 -1.03 0.00 0.00 54.13 53.75 2x4g s LEU 77 Cb -0.18 -2.41 0.50 0.00 0.03 0.00 0.00 46.19 44.13 2x4g s LEU 77 CO 0.51 0.19 1.41 0.47 0.23 0.00 0.00 176.35 179.16 2x4g n ASP 78 N 0.57 0.61 -3.56 2.29 8.00 0.82 -4.52 116.55 120.76 2x4g n ASP 78 Ca -0.09 -0.38 0.03 0.00 0.71 0.00 0.00 54.79 55.06 2x4g n ASP 78 Cb 0.52 0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.89 2x4g n ASP 78 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2x4g s GLY 79 N -2.93 -0.48 -0.13 0.44 0.00 -1.15 -4.23 107.32 98.84 2x4g s GLY 79 Ca 0.13 1.06 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 2x4g s GLY 79 CO 0.68 0.22 0.31 0.54 0.00 0.00 0.00 173.10 174.85 2x4g s VAL 80 N -2.00 -0.03 -0.18 1.40 0.11 -0.67 -1.15 120.40 117.89 2x4g s VAL 80 Ca 0.15 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.20 2x4g s VAL 80 Cb 0.07 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 2x4g s VAL 80 CO -0.07 0.04 0.16 -0.63 -3.33 0.00 0.00 175.10 171.28 2x4g s ILE 81 N 1.12 5.40 -0.34 7.04 1.01 0.16 -1.48 121.20 134.12 2x4g s ILE 81 Ca -0.08 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2x4g s ILE 81 Cb -0.08 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.94 2x4g s ILE 81 CO -0.08 0.46 0.11 0.12 0.00 0.00 0.00 174.94 175.54 2x4g s PHE 82 N 0.17 3.25 -0.98 3.97 5.36 -0.36 -1.22 117.98 128.17 2x4g s PHE 82 Ca 0.10 -1.41 -0.15 0.00 -0.96 0.00 0.00 56.93 54.51 2x4g s PHE 82 Cb -0.11 -2.28 0.19 0.00 -0.34 0.00 0.00 43.02 40.47 2x4g s PHE 82 CO -0.00 -0.73 1.08 -1.12 -1.46 0.00 0.00 175.22 172.99 2x4g s SER 83 N 1.41 6.87 0.00 6.13 0.01 -0.79 -1.96 113.70 125.37 2x4g s SER 83 Ca -0.02 -2.68 0.00 0.00 1.31 0.00 0.00 55.95 54.56 2x4g s SER 83 Cb -0.19 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2x4g s SER 83 CO 0.03 -0.73 0.00 1.21 0.41 0.00 0.00 173.24 174.16 2x4g n GLU 96 N 4.97 0.00 -0.03 12.44 4.07 -1.26 -4.57 120.64 136.27 2x4g n GLU 96 Ca 0.23 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.17 2x4g n GLU 96 Cb 0.46 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.75 2x4g n GLU 96 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2x4g h GLU 97 N 0.00 0.59 0.04 5.31 4.39 -1.99 -3.10 114.58 119.82 2x4g h GLU 97 Ca 0.00 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 2x4g h GLU 97 Cb 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2x4g h GLU 97 CO 0.00 1.10 -0.02 0.28 -1.16 0.00 0.00 179.01 179.22 2x4g h VAL 98 N 0.22 1.24 -0.95 3.13 2.07 -1.96 -2.66 116.25 117.33 2x4g h VAL 98 Ca -0.04 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 66.73 2x4g h VAL 98 Cb 1.21 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.73 2x4g h VAL 98 CO 0.12 0.22 0.60 0.00 0.02 0.00 0.00 177.57 178.53 2x4g h ALA 99 N 0.50 1.68 0.00 1.67 0.00 -2.00 -2.16 119.26 118.95 2x4g h ALA 99 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x4g h ALA 99 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x4g h ALA 99 CO 0.01 0.07 -0.98 -1.13 0.00 0.00 0.00 179.25 177.22 2x4g n SER 100 N -4.60 0.71 0.01 0.00 3.41 -1.17 -1.71 113.62 110.27 2x4g n SER 100 Ca 0.18 0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 2x4g n SER 100 Cb 0.42 0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 64.82 2x4g n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x4g h ALA 101 N 2.23 -0.02 -0.14 7.33 0.00 -1.10 -2.90 119.26 124.67 2x4g h ALA 101 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2x4g h ALA 101 Cb 0.88 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2x4g h ALA 101 CO 0.00 -0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 178.80 2x4g h LEU 102 N -0.39 0.19 -1.44 0.00 3.38 -1.46 -2.67 115.31 112.91 2x4g h LEU 102 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2x4g h LEU 102 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2x4g h LEU 102 CO 0.00 0.27 -0.27 1.23 0.09 0.00 0.00 178.44 179.77 2x4g h GLY 103 N 0.54 0.00 0.86 0.83 0.00 -1.27 -1.30 103.07 102.72 2x4g h GLY 103 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.14 2x4g h GLY 103 CO 0.01 0.00 -1.05 1.46 0.00 0.00 0.00 176.54 176.96 2x4g h GLN 104 N 0.00 0.37 -0.02 4.80 4.20 -1.27 -3.37 115.11 119.82 2x4g h GLN 104 Ca -0.00 -0.64 -0.18 0.00 0.06 0.00 0.00 58.65 57.89 2x4g h GLN 104 Cb 0.57 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2x4g h GLN 104 CO 0.03 1.31 -0.79 1.79 -0.67 0.00 0.00 178.83 180.50 2x4g h THR 105 N -0.21 1.47 -0.58 -0.54 1.35 -1.39 -3.35 112.91 109.66 2x4g h THR 105 Ca -0.19 -2.44 0.01 0.00 -0.55 0.00 0.00 66.41 63.25 2x4g h THR 105 Cb 1.81 2.33 -0.03 0.00 -1.73 0.00 0.00 68.15 70.53 2x4g h THR 105 CO 0.19 0.71 0.38 -1.13 -0.25 0.00 0.00 175.52 175.42 2x4g h ASN 106 N 0.11 0.65 -0.19 5.36 -1.24 -1.40 -1.24 115.58 117.62 2x4g h ASN 106 Ca -0.03 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 2x4g h ASN 106 Cb 1.38 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 40.26 2x4g h ASN 106 CO 0.12 0.46 0.01 -0.65 -1.29 0.00 0.00 177.43 176.09 2x4g h PRO 107 N 0.77 0.44 -0.19 6.67 0.11 -1.77 -1.50 132.00 136.52 2x4g h PRO 107 Ca 0.22 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2x4g h PRO 107 Cb -0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2x4g h PRO 107 CO -0.06 0.46 0.12 0.35 -0.21 0.00 0.00 178.00 178.66 2x4g h PHE 108 N 0.43 0.25 -0.45 0.65 3.57 -1.39 0.26 116.94 120.25 2x4g h PHE 108 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2x4g h PHE 108 Cb 0.26 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2x4g h PHE 108 CO 0.01 0.19 0.22 1.88 -2.23 0.00 0.00 178.31 178.37 2x4g h TYR 109 N 0.24 0.66 -0.45 0.41 0.05 -1.21 -0.50 116.97 116.17 2x4g h TYR 109 Ca 0.07 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.90 2x4g h TYR 109 Cb 0.01 -0.20 -0.10 0.00 1.01 0.00 0.00 36.73 37.45 2x4g h TYR 109 CO -0.05 0.53 -0.38 0.00 -1.05 0.00 0.00 178.16 177.21 2x4g h ALA 110 N 1.06 -0.28 -0.04 3.88 0.00 -0.77 -2.21 119.26 120.89 2x4g h ALA 110 Ca 0.16 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2x4g h ALA 110 Cb 0.13 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2x4g h ALA 110 CO -0.02 -0.79 -0.27 0.00 0.00 0.00 0.00 179.25 178.17 2x4g h ALA 111 N 0.63 1.48 -0.54 0.00 0.00 0.16 -2.39 119.26 118.60 2x4g h ALA 111 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2x4g h ALA 111 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2x4g h ALA 111 CO -0.59 0.38 0.04 0.00 0.00 0.00 0.00 179.25 179.09 2x4g h LEU 113 N 0.84 0.23 -0.67 0.00 5.85 -0.90 -2.11 115.31 118.56 2x4g h LEU 113 Ca 0.17 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 2x4g h LEU 113 Cb 0.44 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2x4g h LEU 113 CO 0.02 0.36 -0.21 1.56 -0.34 0.00 0.00 178.44 179.82 2x4g h GLN 114 N 0.10 0.81 0.00 1.25 1.08 -1.34 -2.96 115.11 114.05 2x4g h GLN 114 Ca 0.05 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2x4g h GLN 114 Cb 0.20 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2x4g h GLN 114 CO -0.00 0.95 0.00 0.00 -0.95 0.00 0.00 178.83 178.82 2x4g n ALA 115 N -2.50 2.01 -3.35 3.87 0.00 -0.09 -4.93 120.51 115.52 2x4g n ALA 115 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 2x4g n ALA 115 Cb 0.43 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.51 2x4g n ALA 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x4g n ARG 116 N -2.27 -6.27 -2.00 0.00 1.74 -0.83 -4.69 116.66 102.34 2x4g n ARG 116 Ca 0.04 0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 57.36 2x4g n ARG 116 Cb 0.34 -5.20 -0.03 0.00 -1.02 0.00 0.00 32.46 26.55 2x4g n ARG 116 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2x4g s VAL 117 N -3.26 2.80 -0.66 1.55 1.01 -1.00 -4.91 120.40 115.94 2x4g s VAL 117 Ca 0.42 0.58 0.25 0.00 0.00 0.00 0.00 61.98 63.24 2x4g s VAL 117 Cb -0.19 -3.37 0.27 0.00 0.00 0.00 0.00 36.38 33.09 2x4g s VAL 117 CO 0.58 0.05 1.69 1.55 0.00 0.00 0.00 175.10 178.97 2x4g h PRO 118 N 6.67 0.00 -1.97 2.72 0.13 -1.81 -3.45 132.00 134.30 2x4g h PRO 118 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2x4g h PRO 118 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2x4g h PRO 118 CO 0.89 0.00 -0.40 0.50 -0.23 0.00 0.00 178.00 178.76 2x4g s ARG 119 N -3.13 0.38 -0.08 0.86 6.06 -1.26 -4.70 118.95 117.08 2x4g s ARG 119 Ca 0.09 0.80 0.01 0.00 -2.50 0.00 0.00 55.73 54.13 2x4g s ARG 119 Cb 0.11 -0.02 0.02 0.00 0.06 0.00 0.00 34.95 35.12 2x4g s ARG 119 CO 0.63 -0.50 -0.09 0.42 -2.50 0.00 0.00 175.30 173.26 2x4g s ILE 120 N 2.63 0.98 -0.14 4.11 1.01 -0.01 -1.66 121.20 128.11 2x4g s ILE 120 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2x4g s ILE 120 Cb -0.14 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2x4g s ILE 120 CO -0.16 0.34 -0.14 -0.22 0.00 0.00 0.00 174.94 174.76 2x4g s LEU 121 N 1.14 2.57 -0.14 2.97 2.96 -0.55 0.76 118.68 128.40 2x4g s LEU 121 Ca -0.06 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2x4g s LEU 121 Cb -0.14 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2x4g s LEU 121 CO -0.02 0.12 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.65 2x4g s TYR 122 N 0.63 3.11 -0.45 5.38 6.14 0.06 -1.22 117.35 130.99 2x4g s TYR 122 Ca -0.08 -0.06 -0.22 0.00 0.64 0.00 0.00 57.07 57.35 2x4g s TYR 122 Cb -0.16 -1.92 0.03 0.00 0.42 0.00 0.00 41.96 40.33 2x4g s TYR 122 CO 0.03 0.17 0.72 0.08 0.64 0.00 0.00 175.55 177.19 2x4g s VAL 123 N -0.06 4.72 0.00 3.14 1.01 -0.83 -1.84 120.40 126.55 2x4g s VAL 123 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2x4g s VAL 123 Cb -0.13 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2x4g s VAL 123 CO 0.02 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.04 2x4g n GLY 124 N 5.03 1.62 3.10 4.51 0.00 -0.05 -4.94 105.19 114.46 2x4g n GLY 124 Ca -0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2x4g n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x4g s SER 125 N -1.00 1.02 0.02 1.61 0.15 -1.26 -4.30 113.70 109.94 2x4g s SER 125 Ca 0.00 -0.64 0.26 0.00 0.70 0.00 0.00 55.95 56.27 2x4g s SER 125 Cb 0.00 0.03 1.08 0.00 -1.71 0.00 0.00 66.02 65.42 2x4g s SER 125 CO 0.00 -0.23 1.82 0.00 1.20 0.00 0.00 173.24 176.03 2x4g n ALA 126 N 1.17 2.18 0.77 5.45 0.00 -1.26 -2.38 120.51 126.44 2x4g n ALA 126 Ca -0.21 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.28 2x4g n ALA 126 Cb 0.56 -1.42 0.50 0.00 0.00 0.00 0.00 19.45 19.08 2x4g n ALA 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x4g n TYR 127 N -1.58 0.43 0.40 0.00 4.01 -1.26 -2.30 117.16 116.86 2x4g n TYR 127 Ca 0.06 0.13 0.07 0.00 -0.16 0.00 0.00 57.90 58.01 2x4g n TYR 127 Cb 0.31 -0.72 0.32 0.00 -0.31 0.00 0.00 39.34 38.95 2x4g n TYR 127 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x4g n ALA 128 N -1.63 1.56 -2.75 -0.72 0.00 -1.00 -4.59 120.51 111.37 2x4g n ALA 128 Ca 0.06 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 2x4g n ALA 128 Cb 0.36 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 2x4g n ALA 128 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2x4g s MET 129 N -3.09 2.92 0.89 0.00 -1.94 -0.97 -4.63 119.30 112.47 2x4g s MET 129 Ca 0.05 -0.60 -0.13 0.00 -1.71 0.00 0.00 55.69 53.31 2x4g s MET 129 Cb 0.08 -2.76 0.13 0.00 2.01 0.00 0.00 34.83 34.29 2x4g s MET 129 CO 0.26 0.61 1.17 -1.25 -0.01 0.00 0.00 175.02 175.79 2x4g s PRO 130 N -1.94 1.33 0.26 2.03 0.04 -1.26 -5.02 135.00 130.44 2x4g s PRO 130 Ca 0.24 0.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 2x4g s PRO 130 Cb -0.12 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2x4g s PRO 130 CO 0.16 -2.04 1.06 0.50 0.04 0.00 0.00 177.00 176.72 2x4g s ARG 131 N -5.45 4.69 0.02 4.56 3.52 -1.26 -4.93 118.95 120.10 2x4g s ARG 131 Ca 0.64 1.72 -0.34 0.00 -0.13 0.00 0.00 55.73 57.62 2x4g s ARG 131 Cb -0.12 -3.22 -0.13 0.00 -1.56 0.00 0.00 34.95 29.91 2x4g s ARG 131 CO 0.52 0.27 1.71 1.58 -0.81 0.00 0.00 175.30 178.57 2x4g n HIS 132 N 1.39 2.24 0.27 5.12 -0.00 -1.26 -4.80 115.22 118.18 2x4g n HIS 132 Ca -0.01 0.18 0.07 0.00 -0.00 0.00 0.00 57.72 57.96 2x4g n HIS 132 Cb 0.45 -2.58 0.32 0.00 -0.00 0.00 0.00 29.99 28.18 2x4g n HIS 132 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2x4g n PRO 133 N 4.91 0.07 -0.23 1.57 -0.04 -1.26 -0.10 135.00 139.91 2x4g n PRO 133 Ca 0.20 0.43 0.06 0.00 -0.04 0.00 0.00 63.50 64.15 2x4g n PRO 133 Cb 0.28 -1.67 0.17 0.00 -0.04 0.00 0.00 33.50 32.24 2x4g n PRO 133 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2x4g n GLN 134 N -1.81 2.89 -0.94 0.54 6.02 -1.26 -4.99 117.38 117.83 2x4g n GLN 134 Ca 0.01 -2.21 0.00 0.00 -0.01 0.00 0.00 57.00 54.79 2x4g n GLN 134 Cb 0.11 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2x4g n GLN 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x4g n GLY 135 N 0.29 0.63 3.77 1.08 0.00 0.85 -5.03 105.19 106.78 2x4g n GLY 135 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2x4g n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4g s LEU 136 N 0.00 2.05 0.36 0.99 1.43 -1.26 -4.95 118.68 117.29 2x4g s LEU 136 Ca 0.00 1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 2x4g s LEU 136 Cb 0.00 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 2x4g s LEU 136 CO 0.00 -2.57 1.48 -2.84 0.23 0.00 0.00 176.35 172.65 2x4g s PRO 137 N -5.18 4.14 0.65 1.29 0.02 -1.26 -4.45 135.00 130.21 2x4g s PRO 137 Ca 0.64 2.53 -0.15 0.00 0.02 0.00 0.00 61.00 64.03 2x4g s PRO 137 Cb -0.16 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 2x4g s PRO 137 CO 0.54 -0.51 1.10 0.20 -0.33 0.00 0.00 177.00 178.01 2x4g s GLY 138 N -0.08 2.15 0.23 0.52 0.00 0.14 -4.49 107.32 105.80 2x4g s GLY 138 Ca 0.54 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.73 2x4g s GLY 138 CO 0.59 0.88 0.31 -2.38 0.00 0.00 0.00 173.10 172.50 2x4g s HIS 139 N -2.35 0.80 0.32 1.90 -3.43 -1.26 0.37 115.29 111.65 2x4g s HIS 139 Ca 0.67 -1.08 0.38 0.00 -0.80 0.00 0.00 55.06 54.22 2x4g s HIS 139 Cb -0.20 -0.20 1.85 0.00 -1.43 0.00 0.00 32.58 32.60 2x4g s HIS 139 CO 0.41 -0.83 2.14 0.93 -2.00 0.00 0.00 174.74 175.38 2x4g h GLU 140 N 2.42 0.00 0.00 -0.38 3.07 -1.92 -2.45 114.58 115.32 2x4g h GLU 140 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2x4g h GLU 140 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2x4g h GLU 140 CO 0.44 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.46 2x4g n GLY 141 N -0.57 -1.33 3.60 -3.84 0.00 -1.26 -4.75 105.19 97.04 2x4g n GLY 141 Ca -0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2x4g n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4g s LEU 142 N -2.68 3.59 0.10 0.99 1.43 -0.93 -5.00 118.68 116.18 2x4g s LEU 142 Ca 0.25 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 2x4g s LEU 142 Cb 0.20 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 2x4g s LEU 142 CO 0.47 -1.37 -0.21 -0.36 0.23 0.00 0.00 176.35 175.11 2x4g s PHE 143 N 4.98 1.81 -0.10 0.29 0.40 -1.26 -4.41 117.98 119.69 2x4g s PHE 143 Ca 0.53 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 56.15 2x4g s PHE 143 Cb -0.10 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2x4g s PHE 143 CO 0.32 0.20 1.09 0.71 0.70 0.00 0.00 175.22 178.23 2x4g s TYR 144 N -1.11 3.35 0.60 0.36 1.51 -1.26 -4.78 117.35 116.01 2x4g s TYR 144 Ca 0.07 1.42 0.30 0.00 -1.01 0.00 0.00 57.07 57.84 2x4g s TYR 144 Cb -0.10 -3.29 1.73 0.00 -0.11 0.00 0.00 41.96 40.19 2x4g s TYR 144 CO 0.04 -0.71 2.15 -0.44 -1.11 0.00 0.00 175.55 175.48 2x4g h ASP 145 N 7.31 0.00 -0.66 2.29 3.32 -2.01 -3.46 116.42 123.21 2x4g h ASP 145 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2x4g h ASP 145 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2x4g h ASP 145 CO 0.88 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.86 2x4g n SER 146 N -3.76 0.00 -4.68 6.45 3.41 -1.26 -5.12 113.62 108.67 2x4g n SER 146 Ca 0.00 -0.90 -0.60 0.00 -0.26 0.00 0.00 58.87 57.11 2x4g n SER 146 Cb 0.25 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2x4g n SER 146 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2x4g n LEU 147 N 0.00 1.61 -3.84 1.04 4.77 -1.26 -4.73 117.00 114.59 2x4g n LEU 147 Ca 0.00 1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 56.70 2x4g n LEU 147 Cb 0.00 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 39.99 2x4g n LEU 147 CO 0.00 -0.83 2.00 -0.81 -1.33 0.00 0.00 177.39 176.42 2x4g n PRO 148 N 4.04 1.60 -2.31 3.23 -0.04 -1.26 -4.91 135.00 135.35 2x4g n PRO 148 Ca 0.26 -2.02 -0.39 0.00 -0.04 0.00 0.00 63.50 61.30 2x4g n PRO 148 Cb 0.07 -3.11 -0.03 0.00 -0.04 0.00 0.00 33.50 30.40 2x4g n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2x4g s SER 149 N 5.23 6.77 0.00 3.54 0.15 -1.26 -2.69 113.70 125.44 2x4g s SER 149 Ca 0.59 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.63 2x4g s SER 149 Cb 0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2x4g s SER 149 CO 0.12 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2x4g n GLY 150 N 0.79 2.56 3.92 9.45 0.00 -1.26 -5.02 105.19 115.62 2x4g n GLY 150 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2x4g n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4g s LYS 151 N -0.02 2.45 0.85 1.61 -0.14 -1.09 -5.04 119.74 118.35 2x4g s LYS 151 Ca 0.00 -0.04 -0.13 0.00 -1.36 0.00 0.00 55.97 54.44 2x4g s LYS 151 Cb 0.00 -2.15 0.08 0.00 -1.68 0.00 0.00 37.83 34.08 2x4g s LYS 151 CO 0.00 -1.12 0.99 -1.13 -0.76 0.00 0.00 175.35 173.34 2x4g n SER 152 N -2.90 0.15 0.21 2.83 3.41 -1.26 -4.81 113.62 111.25 2x4g n SER 152 Ca 0.07 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2x4g n SER 152 Cb 0.59 -1.42 0.45 0.00 -0.26 0.00 0.00 64.21 63.57 2x4g n SER 152 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2x4g h SER 153 N -1.17 0.00 0.54 4.04 4.64 -1.98 -1.48 113.55 118.14 2x4g h SER 153 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 2x4g h SER 153 Cb 1.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2x4g h SER 153 CO 0.43 0.29 -0.26 0.22 -0.87 0.00 0.00 176.83 176.64 2x4g h TYR 154 N 0.00 -0.68 -0.85 4.77 3.20 -1.99 -0.53 116.97 120.89 2x4g h TYR 154 Ca -0.00 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 2x4g h TYR 154 Cb 0.71 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 2x4g h TYR 154 CO 0.00 -0.42 0.55 0.28 -1.64 0.00 0.00 178.16 176.93 2x4g h VAL 155 N -0.73 0.98 -0.14 1.81 2.07 -1.81 -0.49 116.25 117.94 2x4g h VAL 155 Ca -0.07 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2x4g h VAL 155 Cb 0.56 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2x4g h VAL 155 CO 0.12 0.15 -0.07 0.25 0.02 0.00 0.00 177.57 178.04 2x4g h LEU 156 N 0.84 0.30 -0.33 2.57 5.85 -1.04 0.43 115.31 123.93 2x4g h LEU 156 Ca 0.39 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2x4g h LEU 156 Cb 0.39 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2x4g h LEU 156 CO -0.16 0.65 0.21 0.00 -0.34 0.00 0.00 178.44 178.81 2x4g h LYS 158 N 0.42 0.34 -0.44 0.00 6.56 -0.86 -2.05 116.57 120.54 2x4g h LYS 158 Ca 0.13 -0.11 -0.10 0.00 -1.06 0.00 0.00 60.65 59.51 2x4g h LYS 158 Cb -0.02 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.59 2x4g h LYS 158 CO -0.04 0.54 -0.11 2.35 -2.06 0.00 0.00 179.45 180.12 2x4g h TRP 159 N 0.31 0.97 0.24 -1.35 7.01 0.22 -2.85 115.95 120.50 2x4g h TRP 159 Ca 0.05 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.83 2x4g h TRP 159 Cb 0.54 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2x4g h TRP 159 CO 0.01 0.97 -0.11 0.00 -2.79 0.00 0.00 178.44 176.51 2x4g h ALA 160 N 0.87 -0.32 -0.76 2.65 0.00 -0.59 -0.70 119.26 120.42 2x4g h ALA 160 Ca 0.11 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2x4g h ALA 160 Cb 0.66 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2x4g h ALA 160 CO 0.05 -0.62 0.50 -0.07 0.00 0.00 0.00 179.25 179.10 2x4g h LEU 161 N -0.44 0.63 0.12 0.00 3.38 -1.46 0.33 115.31 117.86 2x4g h LEU 161 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2x4g h LEU 161 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2x4g h LEU 161 CO 0.05 0.38 -0.06 -0.78 0.09 0.00 0.00 178.44 178.13 2x4g h ASP 162 N 0.70 -0.13 -0.88 -0.43 1.82 -1.28 -2.18 116.42 114.04 2x4g h ASP 162 Ca 0.34 -0.21 0.11 0.00 -0.39 0.00 0.00 57.03 56.88 2x4g h ASP 162 Cb 0.42 0.03 -0.08 0.00 0.68 0.00 0.00 39.33 40.38 2x4g h ASP 162 CO -0.12 0.14 0.51 -0.33 -1.61 0.00 0.00 179.24 177.83 2x4g h GLU 163 N -0.42 0.79 -0.24 0.28 4.39 -0.15 -2.30 114.58 116.94 2x4g h GLU 163 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2x4g h GLU 163 Cb 0.34 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2x4g h GLU 163 CO 0.03 0.53 0.15 0.37 -1.16 0.00 0.00 179.01 178.92 2x4g h GLN 164 N 0.82 0.32 -0.11 2.33 4.15 -0.31 -0.94 115.11 121.37 2x4g h GLN 164 Ca 0.44 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 2x4g h GLN 164 Cb 0.45 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2x4g h GLN 164 CO -0.27 0.23 0.06 0.00 -1.93 0.00 0.00 178.83 176.92 2x4g h ALA 165 N 1.06 0.14 -0.72 3.38 0.00 -1.10 -1.37 119.26 120.66 2x4g h ALA 165 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2x4g h ALA 165 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2x4g h ALA 165 CO -0.02 -0.32 0.47 0.00 0.00 0.00 0.00 179.25 179.39 2x4g h ARG 166 N 0.08 0.84 -0.66 0.00 3.08 -1.34 -1.75 114.38 114.63 2x4g h ARG 166 Ca 0.04 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2x4g h ARG 166 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2x4g h ARG 166 CO -0.01 0.56 0.19 1.49 -1.07 0.00 0.00 179.97 181.13 2x4g h GLU 167 N 0.87 1.02 -0.49 0.04 4.81 -0.71 0.80 114.58 120.92 2x4g h GLU 167 Ca 0.29 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 2x4g h GLU 167 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2x4g h GLU 167 CO -0.08 0.88 -0.17 1.96 -0.73 0.00 0.00 179.01 180.87 2x4g h GLN 168 N 0.98 0.97 0.46 1.92 1.08 -0.52 -2.05 115.11 117.95 2x4g h GLN 168 Ca 0.21 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2x4g h GLN 168 Cb 0.30 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2x4g h GLN 168 CO -0.01 1.05 -0.27 0.00 -0.95 0.00 0.00 178.83 178.66 2x4g h ALA 169 N 0.95 -0.69 -0.96 3.87 0.00 -0.79 0.32 119.26 121.96 2x4g h ALA 169 Ca 0.12 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.11 2x4g h ALA 169 Cb 0.73 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2x4g h ALA 169 CO 0.06 -0.90 0.62 0.00 0.00 0.00 0.00 179.25 179.03 2x4g h ARG 170 N -0.69 0.43 -0.69 0.00 3.08 -0.81 0.60 114.38 116.29 2x4g h ARG 170 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2x4g h ARG 170 Cb 0.56 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2x4g h ARG 170 CO 0.06 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 179.33 2x4g n ASN 171 N -4.56 2.58 0.00 7.04 3.02 -0.78 -4.88 115.26 117.68 2x4g n ASN 171 Ca 0.21 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 2x4g n ASN 171 Cb 0.74 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2x4g n ASN 171 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4g n GLY 172 N 0.44 0.77 3.86 7.41 0.00 0.20 -5.03 105.19 112.84 2x4g n GLY 172 Ca 0.11 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2x4g n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x4g s LEU 173 N 0.00 4.38 -1.41 0.99 2.96 0.07 -4.99 118.68 120.67 2x4g s LEU 173 Ca 0.00 0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 2x4g s LEU 173 Cb 0.00 -2.89 0.07 0.00 0.50 0.00 0.00 46.19 43.87 2x4g s LEU 173 CO 0.00 0.21 2.28 -0.81 -1.32 0.00 0.00 176.35 176.71 2x4g n PRO 174 N 1.13 3.54 -3.71 0.98 -0.04 -1.26 -3.97 135.00 131.67 2x4g n PRO 174 Ca -0.09 -2.96 -0.36 0.00 -0.04 0.00 0.00 63.50 60.05 2x4g n PRO 174 Cb 0.52 -2.98 -0.09 0.00 -0.04 0.00 0.00 33.50 30.92 2x4g n PRO 174 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2x4g s VAL 175 N 1.41 5.38 0.05 0.52 1.01 -1.26 -0.83 120.40 126.68 2x4g s VAL 175 Ca 0.50 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.71 2x4g s VAL 175 Cb 0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2x4g s VAL 175 CO -0.05 0.41 -0.08 -0.69 0.00 0.00 0.00 175.10 174.68 2x4g s VAL 176 N 0.62 3.51 -0.20 2.92 1.01 0.23 0.10 120.40 128.58 2x4g s VAL 176 Ca 0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2x4g s VAL 176 Cb -0.12 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 2x4g s VAL 176 CO 0.00 0.28 -0.09 -0.63 0.00 0.00 0.00 175.10 174.66 2x4g s ILE 177 N -1.08 3.03 -0.17 2.22 1.01 -0.35 -0.76 121.20 125.09 2x4g s ILE 177 Ca 0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2x4g s ILE 177 Cb -0.11 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 2x4g s ILE 177 CO 0.10 0.46 -0.05 -0.83 0.00 0.00 0.00 174.94 174.62 2x4g s GLY 178 N 1.28 1.65 -0.41 6.18 0.00 -0.77 -0.25 107.32 115.01 2x4g s GLY 178 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.84 2x4g s GLY 178 CO -0.04 0.06 0.17 -0.42 0.00 0.00 0.00 173.10 172.88 2x4g s ILE 179 N 0.71 1.77 0.57 0.90 1.01 -0.19 -0.87 121.20 125.11 2x4g s ILE 179 Ca -0.03 -2.46 -0.13 0.00 0.00 0.00 0.00 60.65 58.04 2x4g s ILE 179 Cb -0.15 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 2x4g s ILE 179 CO 0.02 -0.76 1.00 -2.16 0.00 0.00 0.00 174.94 173.04 2x4g s PRO 180 N 0.58 3.72 0.14 2.79 0.04 -1.26 -1.23 135.00 139.77 2x4g s PRO 180 Ca 0.14 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 61.95 2x4g s PRO 180 Cb -0.22 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2x4g s PRO 180 CO -0.07 -0.44 0.13 0.41 0.04 0.00 0.00 177.00 177.07 2x4g n GLY 181 N -2.31 -2.39 3.61 0.56 0.00 -0.77 -4.60 105.19 99.29 2x4g n GLY 181 Ca 0.06 -1.47 -0.45 0.00 0.00 0.00 0.00 46.02 44.16 2x4g n GLY 181 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2x4g n MET 182 N -1.85 2.09 -2.92 1.61 1.56 0.53 -4.68 117.12 113.47 2x4g n MET 182 Ca 0.02 0.68 -0.41 0.00 -0.27 0.00 0.00 57.70 57.71 2x4g n MET 182 Cb 0.07 -2.94 -0.04 0.00 2.15 0.00 0.00 33.22 32.45 2x4g n MET 182 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2x4g s VAL 183 N 6.36 4.90 -0.02 1.12 1.01 -1.26 -0.16 120.40 132.35 2x4g s VAL 183 Ca 0.98 1.58 0.03 0.00 0.00 0.00 0.00 61.98 64.57 2x4g s VAL 183 Cb -0.51 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 31.75 2x4g s VAL 183 CO 0.42 0.04 -0.11 -0.76 0.00 0.00 0.00 175.10 174.70 2x4g s LEU 184 N 2.07 1.91 0.00 3.92 1.43 0.29 -4.59 118.68 123.71 2x4g s LEU 184 Ca 0.37 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2x4g s LEU 184 Cb -0.17 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2x4g s LEU 184 CO 0.12 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.42 2x4g n GLY 185 N 3.04 -0.80 3.90 -3.19 0.00 -1.26 -0.71 105.19 106.17 2x4g n GLY 185 Ca -0.16 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 2x4g n GLY 185 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x4g s GLU 186 N -1.23 2.99 -0.53 1.61 -1.05 -1.26 -4.34 118.70 114.89 2x4g s GLU 186 Ca 0.00 0.23 -0.02 0.00 -0.15 0.00 0.00 54.97 55.03 2x4g s GLU 186 Cb 0.00 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2x4g s GLU 186 CO 0.00 -0.77 0.24 1.28 0.95 0.00 0.00 175.26 176.96 2x4g n LEU 187 N -2.72 -2.00 -4.24 1.83 4.77 -1.26 -4.97 117.00 108.40 2x4g n LEU 187 Ca 0.05 -0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 2x4g n LEU 187 Cb 0.57 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.25 2x4g n LEU 187 CO 0.55 0.10 0.28 -0.62 -1.33 0.00 0.00 177.39 176.37 2x4g s ASP 188 N -2.93 6.19 0.00 -1.43 2.15 -1.26 -4.45 116.67 114.95 2x4g s ASP 188 Ca 0.12 -2.73 -0.25 0.00 0.43 0.00 0.00 52.55 50.12 2x4g s ASP 188 Cb -0.05 -2.08 -0.19 0.00 -0.30 0.00 0.00 42.92 40.30 2x4g s ASP 188 CO 0.15 -0.51 1.34 0.40 -0.17 0.00 0.00 175.17 176.38 2x4g h ILE 189 N 4.99 1.23 -0.22 4.11 2.04 -1.95 -3.33 117.51 124.38 2x4g h ILE 189 Ca 0.05 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.06 2x4g h ILE 189 Cb 1.01 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 2x4g h ILE 189 CO 0.75 0.22 -0.13 0.61 0.00 0.00 0.00 178.15 179.60 2x4g n GLY 190 N -0.07 -2.17 3.70 5.37 0.00 -1.26 -4.84 105.19 105.92 2x4g n GLY 190 Ca -0.08 0.56 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 2x4g n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x4g s PRO 191 N -3.71 -0.59 0.00 1.61 0.04 -1.25 -5.13 135.00 125.98 2x4g s PRO 191 Ca -0.03 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2x4g s PRO 191 Cb 0.02 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2x4g s PRO 191 CO 0.14 -3.28 0.00 0.25 0.04 0.00 0.00 177.00 174.15 2x4g n THR 192 N -4.43 0.00 -0.27 1.26 -2.24 -1.26 -4.71 114.28 102.62 2x4g n THR 192 Ca 0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 2x4g n THR 192 Cb 0.59 -0.01 0.30 0.00 -2.10 0.00 0.00 70.33 69.12 2x4g n THR 192 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2x4g h THR 193 N 0.00 0.97 0.00 4.28 1.35 -1.97 -1.22 112.91 116.32 2x4g h THR 193 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2x4g h THR 193 Cb 0.00 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.45 2x4g h THR 193 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2x4g n GLY 194 N -1.41 0.34 0.29 5.82 0.00 -1.26 -3.46 105.19 105.51 2x4g n GLY 194 Ca 0.15 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.34 2x4g n GLY 194 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x4g h ARG 195 N 0.16 0.00 -0.51 1.61 3.08 -1.50 -2.44 114.38 114.78 2x4g h ARG 195 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2x4g h ARG 195 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2x4g h ARG 195 CO 0.00 0.03 0.31 0.28 -1.07 0.00 0.00 179.97 179.53 2x4g h VAL 196 N 0.00 1.07 -0.17 2.04 2.07 -1.82 0.40 116.25 119.85 2x4g h VAL 196 Ca -0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2x4g h VAL 196 Cb 0.35 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2x4g h VAL 196 CO 0.00 0.11 -0.07 0.40 0.02 0.00 0.00 177.57 178.04 2x4g h ILE 197 N 0.63 1.31 -0.09 4.57 2.04 -1.73 -2.06 117.51 122.18 2x4g h ILE 197 Ca 0.20 -1.10 -0.18 0.00 1.00 0.00 0.00 64.86 64.77 2x4g h ILE 197 Cb -0.01 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2x4g h ILE 197 CO -0.08 0.33 -0.71 0.71 0.00 0.00 0.00 178.15 178.40 2x4g h THR 198 N 0.02 1.37 0.33 -0.27 1.35 -1.39 -1.55 112.91 112.78 2x4g h THR 198 Ca 0.04 -2.09 -0.02 0.00 -0.55 0.00 0.00 66.41 63.79 2x4g h THR 198 Cb 0.54 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2x4g h THR 198 CO 0.02 0.63 -0.16 0.00 -0.25 0.00 0.00 175.52 175.76 2x4g h ALA 199 N 0.93 -0.45 0.28 6.62 0.00 -0.15 0.12 119.26 126.60 2x4g h ALA 199 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2x4g h ALA 199 Cb 1.28 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2x4g h ALA 199 CO 0.12 -0.75 -0.45 0.82 0.00 0.00 0.00 179.25 178.99 2x4g h ILE 200 N -0.45 0.10 -0.96 0.00 2.04 -1.39 -0.18 117.51 116.68 2x4g h ILE 200 Ca -0.04 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.03 2x4g h ILE 200 Cb 0.35 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 2x4g h ILE 200 CO 0.07 0.00 0.62 1.23 0.00 0.00 0.00 178.15 180.07 2x4g h GLY 201 N -0.80 1.16 -2.29 5.37 0.00 -1.11 -0.76 103.07 104.64 2x4g h GLY 201 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2x4g h GLY 201 CO -0.17 -0.04 0.00 0.70 0.00 0.00 0.00 176.54 177.03 2x4g n ASN 202 N -4.59 3.44 0.00 0.19 3.02 0.01 -4.91 115.26 112.43 2x4g n ASN 202 Ca 0.21 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 2x4g n ASN 202 Cb 0.70 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2x4g n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4g n GLY 203 N 0.53 0.23 0.07 7.41 0.00 -0.29 -4.89 105.19 108.25 2x4g n GLY 203 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2x4g n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x4g h GLU 204 N 0.58 0.00 -5.93 1.61 5.08 -1.22 -3.40 114.58 111.29 2x4g h GLU 204 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2x4g h GLU 204 Cb 0.43 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 2x4g h GLU 204 CO 0.00 0.88 1.20 1.41 -1.00 0.00 0.00 179.01 181.51 2x4g s MET 205 N -2.18 3.17 0.19 2.33 1.75 -1.07 -4.73 119.30 118.76 2x4g s MET 205 Ca -0.19 -0.81 0.24 0.00 -1.25 0.00 0.00 55.69 53.68 2x4g s MET 205 Cb -0.01 -5.24 0.24 0.00 2.84 0.00 0.00 34.83 32.66 2x4g s MET 205 CO 0.60 -2.71 1.28 0.00 -0.65 0.00 0.00 175.02 173.53 2x4g h THR 206 N 6.94 0.00 -4.18 10.11 1.03 -1.91 -3.43 112.91 121.47 2x4g h THR 206 Ca 0.17 -0.72 -0.13 0.00 -0.01 0.00 0.00 66.41 65.71 2x4g h THR 206 Cb 1.00 1.34 -0.14 0.00 -1.07 0.00 0.00 68.15 69.27 2x4g h THR 206 CO 1.34 0.00 -0.56 -1.00 -0.01 0.00 0.00 175.52 175.29 2x4g s HIS 207 N -3.24 0.56 0.16 0.00 3.76 -1.26 -2.57 115.29 112.71 2x4g s HIS 207 Ca 0.04 -1.00 0.02 0.00 -0.15 0.00 0.00 55.06 53.97 2x4g s HIS 207 Cb 0.11 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.44 2x4g s HIS 207 CO 0.73 -0.51 -0.00 1.52 -0.85 0.00 0.00 174.74 175.63 2x4g s TYR 208 N -3.96 1.14 -0.11 1.40 1.13 -0.74 -4.87 117.35 111.34 2x4g s TYR 208 Ca 0.14 -1.02 -0.01 0.00 -1.41 0.00 0.00 57.07 54.78 2x4g s TYR 208 Cb 0.07 -0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 40.25 2x4g s TYR 208 CO -0.04 -0.23 -0.09 0.08 -2.51 0.00 0.00 175.55 172.76 2x4g s VAL 209 N -3.68 3.48 0.33 -3.49 1.01 -1.26 -0.43 120.40 116.35 2x4g s VAL 209 Ca 0.22 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2x4g s VAL 209 Cb 0.06 -2.46 -0.13 0.00 0.00 0.00 0.00 36.38 33.85 2x4g s VAL 209 CO 0.03 0.54 0.96 0.00 0.00 0.00 0.00 175.10 176.63 2x4g n ALA 210 N 3.05 -0.29 0.00 5.51 0.00 -1.26 -4.82 120.51 122.70 2x4g n ALA 210 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2x4g n ALA 210 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2x4g n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x4g n GLY 211 N 1.27 1.43 3.81 0.00 0.00 -1.26 -4.76 105.19 105.67 2x4g n GLY 211 Ca 0.10 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2x4g n GLY 211 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x4g s GLN 212 N -2.00 3.21 -0.09 1.61 -0.21 -1.26 -1.14 119.66 119.78 2x4g s GLN 212 Ca 0.00 -0.34 -0.21 0.00 0.02 0.00 0.00 55.36 54.83 2x4g s GLN 212 Cb 0.00 -2.97 0.05 0.00 1.00 0.00 0.00 33.01 31.08 2x4g s GLN 212 CO 0.00 0.70 0.50 0.50 -2.12 0.00 0.00 175.29 174.87 2x4g s ARG 213 N -1.38 0.77 -0.22 2.91 3.52 -0.53 -3.12 118.95 120.90 2x4g s ARG 213 Ca 0.19 0.28 -0.07 0.00 -0.13 0.00 0.00 55.73 56.00 2x4g s ARG 213 Cb -0.12 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 2x4g s ARG 213 CO 0.09 -0.19 0.06 1.21 -0.81 0.00 0.00 175.30 175.66 2x4g s ASN 214 N -0.70 5.29 -0.05 -2.12 3.84 -1.23 -0.51 114.94 119.45 2x4g s ASN 214 Ca -0.08 -0.10 0.01 0.00 0.21 0.00 0.00 52.86 52.91 2x4g s ASN 214 Cb -0.03 -1.93 -0.03 0.00 -0.55 0.00 0.00 41.25 38.71 2x4g s ASN 214 CO 0.05 0.06 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.68 2x4g s VAL 215 N 1.05 3.82 0.01 -5.21 1.01 -0.33 -0.34 120.40 120.41 2x4g s VAL 215 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2x4g s VAL 215 Cb -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2x4g s VAL 215 CO 0.03 0.52 -0.05 -0.51 0.00 0.00 0.00 175.10 175.10 2x4g s ILE 216 N -0.90 0.34 0.24 2.22 2.07 0.77 -0.11 121.20 125.83 2x4g s ILE 216 Ca 0.14 -0.40 -0.30 0.00 -1.41 0.00 0.00 60.65 58.69 2x4g s ILE 216 Cb -0.11 -0.33 -0.09 0.00 0.13 0.00 0.00 42.46 42.06 2x4g s ILE 216 CO 0.04 -0.04 1.26 -0.62 -1.91 0.00 0.00 174.94 173.67 2x4g s ASP 217 N -0.47 6.94 0.10 4.50 2.15 -1.26 -0.55 116.67 128.09 2x4g s ASP 217 Ca -0.02 2.44 -0.20 0.00 0.43 0.00 0.00 52.55 55.20 2x4g s ASP 217 Cb -0.04 -2.62 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 2x4g s ASP 217 CO -0.00 -0.45 1.68 0.00 -0.17 0.00 0.00 175.17 176.22 2x4g h ALA 218 N 4.61 0.26 -0.70 3.66 0.00 -1.27 -0.84 119.26 124.98 2x4g h ALA 218 Ca -0.46 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.44 2x4g h ALA 218 Cb 1.22 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2x4g h ALA 218 CO 0.72 -0.18 0.38 0.00 0.00 0.00 0.00 179.25 180.18 2x4g h ALA 219 N 0.97 0.95 -0.14 0.00 0.00 -1.92 -2.02 119.26 117.11 2x4g h ALA 219 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2x4g h ALA 219 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2x4g h ALA 219 CO -0.01 0.04 -0.07 0.93 0.00 0.00 0.00 179.25 180.15 2x4g h GLU 220 N 0.69 0.29 -0.96 0.00 5.08 -1.91 -3.04 114.58 114.73 2x4g h GLU 220 Ca 0.32 -0.13 0.13 0.00 -1.00 0.00 0.00 59.36 58.69 2x4g h GLU 220 Cb 0.24 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 2x4g h GLU 220 CO -0.21 0.62 0.61 0.00 -1.00 0.00 0.00 179.01 179.03 2x4g h ALA 221 N 0.66 1.63 -0.99 3.43 0.00 -0.58 0.40 119.26 123.81 2x4g h ALA 221 Ca 0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2x4g h ALA 221 Cb 0.53 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2x4g h ALA 221 CO 0.02 0.12 0.64 0.78 0.00 0.00 0.00 179.25 180.82 2x4g h GLY 222 N 0.89 1.48 1.27 0.00 0.00 -1.35 -0.40 103.07 104.96 2x4g h GLY 222 Ca 0.48 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2x4g h GLY 222 CO -0.25 0.38 -0.57 3.21 0.00 0.00 0.00 176.54 179.32 2x4g h ARG 223 N 1.21 0.76 -0.92 4.80 3.08 -0.23 -2.49 114.38 120.59 2x4g h ARG 223 Ca 0.41 -0.49 0.03 0.00 0.07 0.00 0.00 59.98 60.00 2x4g h ARG 223 Cb 0.08 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2x4g h ARG 223 CO -0.15 1.11 0.60 0.78 -1.07 0.00 0.00 179.97 181.25 2x4g h GLY 224 N 0.82 1.31 0.85 0.04 0.00 -0.41 -0.29 103.07 105.39 2x4g h GLY 224 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2x4g h GLY 224 CO 0.12 0.40 -0.06 1.41 0.00 0.00 0.00 176.54 178.41 2x4g h LEU 225 N 1.17 -0.15 -0.93 3.11 3.38 -0.93 -0.50 115.31 120.46 2x4g h LEU 225 Ca 0.36 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.35 2x4g h LEU 225 Cb -0.01 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2x4g h LEU 225 CO -0.10 0.04 0.54 0.25 0.09 0.00 0.00 178.44 179.26 2x4g h LEU 226 N -0.33 0.73 -0.52 1.67 5.85 -1.11 -0.65 115.31 120.96 2x4g h LEU 226 Ca -0.02 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 2x4g h LEU 226 Cb 0.26 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2x4g h LEU 226 CO 0.03 0.33 -0.39 0.24 -0.34 0.00 0.00 178.44 178.31 2x4g h MET 227 N 0.79 0.78 -0.60 1.25 2.86 -0.70 -1.00 114.93 118.30 2x4g h MET 227 Ca 0.50 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2x4g h MET 227 Cb 0.65 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2x4g h MET 227 CO -0.33 1.03 0.26 0.00 1.06 0.00 0.00 176.91 178.93 2x4g h ALA 228 N 0.92 0.78 -0.24 6.32 0.00 -0.37 -0.45 119.26 126.22 2x4g h ALA 228 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2x4g h ALA 228 Cb 0.94 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2x4g h ALA 228 CO 0.09 0.38 0.12 1.25 0.00 0.00 0.00 179.25 181.08 2x4g h LEU 229 N 0.83 0.31 -0.40 0.00 5.85 -0.74 0.43 115.31 121.60 2x4g h LEU 229 Ca 0.20 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.64 2x4g h LEU 229 Cb 0.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2x4g h LEU 229 CO -0.02 0.34 -0.80 -0.33 -0.34 0.00 0.00 178.44 177.29 2x4g h GLU 230 N 0.27 0.13 0.00 1.25 5.08 -1.16 -3.41 114.58 116.73 2x4g h GLU 230 Ca 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2x4g h GLU 230 Cb 0.10 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x4g h GLU 230 CO -0.01 0.86 -0.51 0.54 -1.00 0.00 0.00 179.01 178.88 2x4g n ARG 231 N -3.68 2.86 -1.73 2.33 1.74 -0.18 -5.07 116.66 112.94 2x4g n ARG 231 Ca -0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 2x4g n ARG 231 Cb 0.76 -0.72 0.06 0.00 -1.02 0.00 0.00 32.46 31.53 2x4g n ARG 231 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2x4g s GLY 232 N -1.34 2.49 0.18 -0.13 0.00 0.15 -4.90 107.32 103.77 2x4g s GLY 232 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 44.72 45.31 2x4g s GLY 232 CO 0.00 1.28 1.10 0.50 0.00 0.00 0.00 173.10 175.99 2x4g s ARG 233 N -3.69 4.59 0.16 2.90 0.52 -1.26 -4.97 118.95 117.20 2x4g s ARG 233 Ca 0.75 1.72 -0.33 0.00 -0.52 0.00 0.00 55.73 57.35 2x4g s ARG 233 Cb -0.29 -3.27 -0.13 0.00 0.52 0.00 0.00 34.95 31.78 2x4g s ARG 233 CO 0.39 0.07 1.69 -0.89 0.02 0.00 0.00 175.30 176.59 2x4g n ILE 234 N 2.35 0.08 -0.67 1.52 -0.00 -1.26 -1.40 119.36 119.98 2x4g n ILE 234 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 2x4g n ILE 234 Cb 0.46 -1.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.29 2x4g n ILE 234 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2x4g n GLY 235 N 3.79 0.82 3.93 7.39 0.00 0.11 -4.98 105.19 116.26 2x4g n GLY 235 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2x4g n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4g s GLU 236 N -0.33 3.47 0.15 1.61 0.41 -0.49 -4.90 118.70 118.61 2x4g s GLU 236 Ca 0.00 -0.49 -0.05 0.00 -0.41 0.00 0.00 54.97 54.02 2x4g s GLU 236 Cb 0.00 -2.94 -0.06 0.00 -1.78 0.00 0.00 34.13 29.36 2x4g s GLU 236 CO 0.00 0.50 0.39 1.03 -0.49 0.00 0.00 175.26 176.69 2x4g s ARG 237 N -3.14 3.63 -0.15 1.61 0.52 -1.26 -1.21 118.95 118.96 2x4g s ARG 237 Ca 0.36 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 2x4g s ARG 237 Cb -0.11 -2.83 0.05 0.00 0.52 0.00 0.00 34.95 32.58 2x4g s ARG 237 CO 0.28 0.45 0.07 0.71 0.02 0.00 0.00 175.30 176.83 2x4g s TYR 238 N -1.69 0.38 -0.02 -0.53 1.51 0.65 -4.94 117.35 112.72 2x4g s TYR 238 Ca 0.42 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 2x4g s TYR 238 Cb -0.12 -0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.95 2x4g s TYR 238 CO 0.25 -0.47 1.33 -0.51 -1.11 0.00 0.00 175.55 175.03 2x4g s LEU 239 N 2.07 4.30 -0.39 -1.29 1.43 -1.26 -1.02 118.68 122.53 2x4g s LEU 239 Ca 0.02 2.00 -0.05 0.00 -1.03 0.00 0.00 54.13 55.08 2x4g s LEU 239 Cb -0.15 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.59 2x4g s LEU 239 CO -0.08 -0.67 0.18 -0.76 0.23 0.00 0.00 176.35 175.25 2x4g s LEU 240 N 2.33 4.93 0.28 1.79 1.43 -0.36 -4.45 118.68 124.62 2x4g s LEU 240 Ca 0.61 -1.70 0.12 0.00 -1.03 0.00 0.00 54.13 52.13 2x4g s LEU 240 Cb -0.29 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2x4g s LEU 240 CO 0.25 -0.48 -0.20 0.42 0.23 0.00 0.00 176.35 176.57 2x4g s THR 241 N 1.26 2.49 0.00 5.49 -4.23 -1.26 -1.85 115.64 117.53 2x4g s THR 241 Ca 0.04 -2.40 0.00 0.00 -1.18 0.00 0.00 61.69 58.14 2x4g s THR 241 Cb -0.22 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2x4g s THR 241 CO -0.02 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 2x4g n GLY 242 N -0.62 0.54 3.09 3.99 0.00 -1.16 -4.31 105.19 106.73 2x4g n GLY 242 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2x4g n GLY 242 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x4g s HIS 243 N 0.00 1.75 0.05 1.61 3.76 0.84 -4.91 115.29 118.39 2x4g s HIS 243 Ca 0.00 -0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 53.97 2x4g s HIS 243 Cb 0.00 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 2x4g s HIS 243 CO 0.00 -0.29 0.96 -0.80 -0.85 0.00 0.00 174.74 173.77 2x4g s ASN 244 N 0.47 7.42 -0.13 1.40 0.01 -1.26 -1.19 114.94 121.66 2x4g s ASN 244 Ca -0.13 1.71 -0.07 0.00 -0.71 0.00 0.00 52.86 53.65 2x4g s ASN 244 Cb -0.15 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 38.98 2x4g s ASN 244 CO 0.05 -0.17 0.31 -0.22 -1.51 0.00 0.00 177.10 175.56 2x4g s LEU 245 N 0.55 0.33 0.39 0.60 2.96 0.33 -5.00 118.68 118.84 2x4g s LEU 245 Ca 0.49 0.66 -0.25 0.00 -0.22 0.00 0.00 54.13 54.81 2x4g s LEU 245 Cb -0.22 0.98 -0.09 0.00 0.50 0.00 0.00 46.19 47.37 2x4g s LEU 245 CO 0.29 -0.16 1.15 -1.61 -1.32 0.00 0.00 176.35 174.69 2x4g s GLU 246 N 1.11 4.11 0.48 1.98 0.41 -1.26 -1.45 118.70 124.08 2x4g s GLU 246 Ca -0.08 1.80 0.16 0.00 -0.41 0.00 0.00 54.97 56.44 2x4g s GLU 246 Cb -0.08 -2.70 1.15 0.00 -1.78 0.00 0.00 34.13 30.72 2x4g s GLU 246 CO -0.08 -0.26 2.07 0.52 -0.49 0.00 0.00 175.26 177.01 2x4g h MET 247 N 2.71 0.00 -0.60 1.61 2.86 -1.46 -1.34 114.93 118.70 2x4g h MET 247 Ca -0.49 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.22 2x4g h MET 247 Cb 1.23 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.83 2x4g h MET 247 CO 0.63 0.10 0.30 0.00 1.06 0.00 0.00 176.91 179.00 2x4g h ALA 248 N 1.90 0.80 0.21 6.32 0.00 -1.90 -1.07 119.26 125.52 2x4g h ALA 248 Ca -0.00 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 2x4g h ALA 248 Cb 0.19 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.95 2x4g h ALA 248 CO 0.01 -0.07 -1.40 -0.44 0.00 0.00 0.00 179.25 177.35 2x4g h ASP 249 N 0.54 0.69 -0.40 0.00 3.32 -1.68 -0.95 116.42 117.94 2x4g h ASP 249 Ca 0.28 -0.75 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2x4g h ASP 249 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2x4g h ASP 249 CO -0.21 1.59 0.18 0.25 -1.72 0.00 0.00 179.24 179.32 2x4g h LEU 250 N 0.12 0.54 -0.67 1.55 5.85 -1.32 0.55 115.31 121.94 2x4g h LEU 250 Ca -0.21 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.44 2x4g h LEU 250 Cb 2.10 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.93 2x4g h LEU 250 CO 0.25 0.54 0.32 0.74 -0.34 0.00 0.00 178.44 179.95 2x4g h THR 251 N 0.51 0.86 0.01 1.05 2.02 -1.22 -2.87 112.91 113.27 2x4g h THR 251 Ca 0.14 -0.19 -0.21 0.00 0.77 0.00 0.00 66.41 66.91 2x4g h THR 251 Cb 0.15 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2x4g h THR 251 CO -0.01 0.10 -0.93 -0.09 0.37 0.00 0.00 175.52 174.96 2x4g h ARG 252 N 0.57 0.28 -0.14 6.66 2.43 -0.64 -2.45 114.38 121.09 2x4g h ARG 252 Ca 0.32 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2x4g h ARG 252 Cb 0.32 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2x4g h ARG 252 CO -0.25 1.03 -0.35 0.00 -1.51 0.00 0.00 179.97 178.89 2x4g h ARG 253 N 0.15 0.48 -0.34 0.20 2.47 -0.85 -0.84 114.38 115.65 2x4g h ARG 253 Ca -0.06 -0.33 0.02 0.00 -1.26 0.00 0.00 59.98 58.34 2x4g h ARG 253 Cb 1.57 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.92 2x4g h ARG 253 CO 0.15 0.95 0.18 0.82 0.56 0.00 0.00 179.97 182.63 2x4g h ILE 254 N 0.09 1.01 -0.24 2.04 2.04 -1.56 -0.84 117.51 120.06 2x4g h ILE 254 Ca -0.00 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.78 2x4g h ILE 254 Cb 0.96 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2x4g h ILE 254 CO 0.08 0.07 -0.12 0.00 0.00 0.00 0.00 178.15 178.18 2x4g h ALA 255 N 1.17 0.08 -0.92 1.87 0.00 -1.29 -1.33 119.26 118.83 2x4g h ALA 255 Ca 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2x4g h ALA 255 Cb 0.03 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2x4g h ALA 255 CO -0.08 -0.53 0.54 0.93 0.00 0.00 0.00 179.25 180.11 2x4g h GLU 256 N -0.09 1.27 -0.19 0.00 5.08 -0.41 -0.62 114.58 119.62 2x4g h GLU 256 Ca 0.13 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2x4g h GLU 256 Cb 0.28 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2x4g h GLU 256 CO -0.29 0.90 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.18 2x4g h LEU 257 N 1.28 0.43 -0.25 1.33 3.38 -0.98 -2.82 115.31 117.67 2x4g h LEU 257 Ca 0.33 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2x4g h LEU 257 Cb -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2x4g h LEU 257 CO -0.06 0.76 -0.04 0.18 0.09 0.00 0.00 178.44 179.37 2x4g n LEU 258 N -4.05 0.44 -1.71 1.67 4.77 -0.52 -4.91 117.00 112.68 2x4g n LEU 258 Ca -0.01 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 2x4g n LEU 258 Cb 0.47 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2x4g n LEU 258 CO 0.43 0.08 -0.04 0.61 -1.33 0.00 0.00 177.39 177.14 2x4g n GLY 259 N 1.17 -0.04 3.58 -0.72 0.00 -0.74 -5.04 105.19 103.40 2x4g n GLY 259 Ca 0.18 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2x4g n GLY 259 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x4g s GLN 260 N -5.05 1.93 0.40 1.61 -1.52 -0.32 -5.03 119.66 111.67 2x4g s GLN 260 Ca 0.13 -1.87 -0.24 0.00 -1.95 0.00 0.00 55.36 51.43 2x4g s GLN 260 Cb -0.06 -1.79 -0.09 0.00 -0.22 0.00 0.00 33.01 30.85 2x4g s GLN 260 CO 0.16 0.13 1.04 -1.25 -0.25 0.00 0.00 175.29 175.12 2x4g s PRO 261 N -3.66 4.19 0.17 2.91 0.04 -1.26 -4.27 135.00 133.12 2x4g s PRO 261 Ca 0.34 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 2x4g s PRO 261 Cb 0.02 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 2x4g s PRO 261 CO 0.18 -0.11 1.43 0.00 0.04 0.00 0.00 177.00 178.53 2x4g s ALA 262 N -1.69 3.63 0.38 8.56 0.00 -1.26 -4.87 121.76 126.51 2x4g s ALA 262 Ca 0.58 1.21 -0.27 0.00 0.00 0.00 0.00 51.96 53.48 2x4g s ALA 262 Cb -0.21 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.25 2x4g s ALA 262 CO 0.26 -0.66 1.35 -2.30 0.00 0.00 0.00 175.76 174.41 2x4g n PRO 263 N 3.41 2.25 -3.25 0.00 -0.02 -1.26 -4.99 135.00 131.13 2x4g n PRO 263 Ca 0.10 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 2x4g n PRO 263 Cb 0.41 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 2x4g n PRO 263 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2x4g s GLN 264 N -2.05 3.75 0.53 -0.52 -1.52 -1.06 -4.71 119.66 114.07 2x4g s GLN 264 Ca 0.56 0.24 -0.20 0.00 -1.95 0.00 0.00 55.36 54.01 2x4g s GLN 264 Cb -0.52 -2.58 -0.06 0.00 -0.22 0.00 0.00 33.01 29.63 2x4g s GLN 264 CO 0.62 0.20 1.14 -1.25 -0.25 0.00 0.00 175.29 175.74 2x4g s PRO 265 N -3.31 3.43 -0.06 2.91 0.05 -1.26 -1.79 135.00 134.98 2x4g s PRO 265 Ca 0.47 1.66 0.02 0.00 0.05 0.00 0.00 61.00 63.20 2x4g s PRO 265 Cb -0.11 -2.09 0.02 0.00 0.05 0.00 0.00 34.50 32.36 2x4g s PRO 265 CO 0.26 -0.79 -0.10 1.41 0.05 0.00 0.00 177.00 177.83 2x4g s MET 266 N -3.15 1.50 0.68 4.56 1.75 0.42 -4.82 119.30 120.24 2x4g s MET 266 Ca 0.71 -0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 54.64 2x4g s MET 266 Cb -0.25 -1.29 -0.00 0.00 2.84 0.00 0.00 34.83 36.13 2x4g s MET 266 CO 0.29 -0.01 1.10 0.45 -0.65 0.00 0.00 175.02 176.21 2x4g n SER 267 N 3.91 1.15 -0.09 1.11 2.88 -1.26 -4.25 113.62 117.06 2x4g n SER 267 Ca -0.23 0.74 -0.15 0.00 -1.33 0.00 0.00 58.87 57.91 2x4g n SER 267 Cb 0.51 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.47 2x4g n SER 267 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2x4g h MET 268 N 0.09 0.87 -0.63 -1.46 4.05 -1.98 -2.77 114.93 113.11 2x4g h MET 268 Ca -0.49 -0.53 0.01 0.00 -0.28 0.00 0.00 59.70 58.41 2x4g h MET 268 Cb 1.34 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.16 2x4g h MET 268 CO 0.50 1.17 0.41 0.00 0.23 0.00 0.00 176.91 179.21 2x4g h ALA 269 N 0.69 1.55 0.00 0.39 0.00 -2.00 -2.02 119.26 117.87 2x4g h ALA 269 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x4g h ALA 269 Cb 1.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2x4g h ALA 269 CO 0.11 0.42 0.00 1.98 0.00 0.00 0.00 179.25 181.76 2x4g h MET 270 N 0.85 0.00 0.04 0.00 -1.53 -1.90 -0.14 114.93 112.26 2x4g h MET 270 Ca 0.23 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.38 2x4g h MET 270 Cb -0.09 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 30.97 2x4g h MET 270 CO -0.05 0.00 -0.45 0.00 0.14 0.00 0.00 176.91 176.55 2x4g h ALA 271 N 2.07 -0.01 -0.44 0.39 0.00 -1.10 -3.18 119.26 116.99 2x4g h ALA 271 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2x4g h ALA 271 Cb 0.62 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2x4g h ALA 271 CO 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.42 2x4g h ARG 272 N -0.47 0.75 0.00 0.00 3.08 -1.28 -2.24 114.38 114.22 2x4g h ARG 272 Ca -0.07 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2x4g h ARG 272 Cb 1.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2x4g h ARG 272 CO 0.09 0.79 -0.06 0.00 -1.07 0.00 0.00 179.97 179.72 2x4g h ALA 273 N 1.26 1.33 0.15 0.04 0.00 -1.13 0.14 119.26 121.06 2x4g h ALA 273 Ca 0.13 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2x4g h ALA 273 Cb 0.49 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2x4g h ALA 273 CO 0.02 0.07 -1.11 -0.07 0.00 0.00 0.00 179.25 178.16 2x4g h LEU 274 N 0.00 0.50 -1.23 0.00 3.38 -1.47 -2.54 115.31 113.95 2x4g h LEU 274 Ca -0.00 -0.92 0.19 0.00 0.09 0.00 0.00 57.88 57.25 2x4g h LEU 274 Cb 0.18 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2x4g h LEU 274 CO 0.01 1.52 0.61 0.00 0.09 0.00 0.00 178.44 180.67 2x4g h ALA 275 N 0.05 1.90 -0.05 1.53 0.00 -0.82 0.01 119.26 121.88 2x4g h ALA 275 Ca -0.21 0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 2x4g h ALA 275 Cb 1.76 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2x4g h ALA 275 CO 0.14 -0.24 -0.91 1.15 0.00 0.00 0.00 179.25 179.39 2x4g h THR 276 N 0.62 1.32 -0.38 0.00 2.02 -0.80 -2.84 112.91 112.85 2x4g h THR 276 Ca 0.53 -2.21 -0.04 0.00 0.77 0.00 0.00 66.41 65.46 2x4g h THR 276 Cb 1.01 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 2x4g h THR 276 CO -0.29 0.68 0.07 -0.07 0.37 0.00 0.00 175.52 176.28 2x4g h LEU 277 N 0.38 0.52 -0.17 2.58 4.07 -0.98 -2.95 115.31 118.77 2x4g h LEU 277 Ca -0.08 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.84 2x4g h LEU 277 Cb 1.54 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 43.09 2x4g h LEU 277 CO 0.17 0.55 -0.22 1.23 -1.08 0.00 0.00 178.44 179.09 2x4g h GLY 278 N 0.81 -0.18 -0.24 0.83 0.00 -0.83 -3.01 103.07 100.45 2x4g h GLY 278 Ca 0.13 0.27 0.28 0.00 0.00 0.00 0.00 47.33 48.01 2x4g h GLY 278 CO 0.00 -0.19 0.68 3.21 0.00 0.00 0.00 176.54 180.24 2x4g h ARG 279 N -0.26 0.35 0.00 4.80 3.08 -1.32 -3.52 114.38 117.52 2x4g h ARG 279 Ca 0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2x4g h ARG 279 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2x4g h ARG 279 CO -0.32 0.23 0.00 -0.07 -1.07 0.00 0.00 179.97 178.74 2x4g h LEU 280 N 0.36 0.00 0.00 3.04 3.38 -1.61 -3.52 115.31 116.96 2x4g h LEU 280 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 2x4g h LEU 280 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2x4g h LEU 280 CO -0.32 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.59 2x4g n GLU 297 N -2.61 0.00 -0.04 1.13 -0.58 -1.26 -5.15 120.64 112.13 2x4g n GLU 297 Ca 0.01 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.86 2x4g n GLU 297 Cb 0.25 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 31.61 2x4g n GLU 297 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2x4g n VAL 298 N 0.00 0.10 0.30 2.62 0.24 -1.26 -3.61 118.33 116.71 2x4g n VAL 298 Ca 0.00 -0.18 0.14 0.00 -2.04 0.00 0.00 64.34 62.26 2x4g n VAL 298 Cb 0.00 0.06 0.65 0.00 -1.47 0.00 0.00 33.84 33.08 2x4g n VAL 298 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2x4g h MET 299 N 1.17 0.00 -0.51 7.34 2.86 -2.01 -3.07 114.93 120.72 2x4g h MET 299 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2x4g h MET 299 Cb 0.26 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.67 2x4g h MET 299 CO 0.00 0.00 -0.69 0.00 1.06 0.00 0.00 176.91 177.28 2x4g n ALA 300 N -1.87 1.39 -1.23 6.32 0.00 -1.25 -4.88 120.51 118.99 2x4g n ALA 300 Ca 0.00 -2.05 0.04 0.00 0.00 0.00 0.00 53.44 51.43 2x4g n ALA 300 Cb 0.17 -1.01 0.21 0.00 0.00 0.00 0.00 19.45 18.82 2x4g n ALA 300 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x4g n GLY 301 N -0.13 4.59 3.95 0.00 0.00 -1.16 -4.75 105.19 107.69 2x4g n GLY 301 Ca 0.06 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2x4g n GLY 301 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x4g s GLY 302 N -2.41 1.74 0.28 -0.02 0.00 -1.26 -4.98 107.32 100.67 2x4g s GLY 302 Ca 0.41 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 44.07 2x4g s GLY 302 CO 0.03 -0.73 0.09 -0.86 0.00 0.00 0.00 173.10 171.63 2x4g s GLN 303 N -5.04 1.48 0.53 2.90 -2.07 -1.18 -4.11 119.66 112.17 2x4g s GLN 303 Ca 0.59 -1.81 -0.19 0.00 -1.82 0.00 0.00 55.36 52.13 2x4g s GLN 303 Cb -0.11 -0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 31.33 2x4g s GLN 303 CO 0.42 -0.27 1.08 -0.06 -1.32 0.00 0.00 175.29 175.14 2x4g s PHE 304 N -3.63 2.84 0.04 9.60 0.08 -1.26 -3.58 117.98 122.06 2x4g s PHE 304 Ca 0.37 1.56 0.09 0.00 0.12 0.00 0.00 56.93 59.07 2x4g s PHE 304 Cb 0.08 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 2x4g s PHE 304 CO 0.14 -1.22 -0.25 -0.51 -0.10 0.00 0.00 175.22 173.29 2x4g s LEU 305 N -3.79 2.16 -0.26 -0.37 1.43 -1.26 0.27 118.68 116.85 2x4g s LEU 305 Ca 0.69 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 2x4g s LEU 305 Cb -0.20 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2x4g s LEU 305 CO 0.26 0.24 0.28 -0.62 0.23 0.00 0.00 176.35 176.73 2x4g s ASP 306 N -1.16 6.16 -0.01 2.29 3.68 0.16 -4.76 116.67 123.03 2x4g s ASP 306 Ca 0.11 0.17 0.15 0.00 2.13 0.00 0.00 52.55 55.11 2x4g s ASP 306 Cb -0.10 -2.16 0.45 0.00 -1.45 0.00 0.00 42.92 39.66 2x4g s ASP 306 CO 0.02 -0.09 1.37 0.61 0.13 0.00 0.00 175.17 177.21 2x4g n GLY 307 N 4.70 1.44 0.31 2.66 0.00 -1.26 -4.63 105.19 108.41 2x4g n GLY 307 Ca -0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 2x4g n GLY 307 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x4g h ARG 308 N 2.94 1.09 0.25 1.61 3.08 -1.94 -2.78 114.38 118.63 2x4g h ARG 308 Ca 0.00 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2x4g h ARG 308 Cb 0.73 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2x4g h ARG 308 CO 0.02 0.95 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.51 2x4g h LYS 309 N 1.02 -0.35 -0.78 0.04 3.64 -1.91 -0.65 116.57 117.58 2x4g h LYS 309 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 2x4g h LYS 309 Cb 0.33 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2x4g h LYS 309 CO -0.00 -0.23 0.44 0.00 -2.27 0.00 0.00 179.45 177.39 2x4g h ALA 310 N 0.38 1.09 0.05 5.00 0.00 -1.76 -0.92 119.26 123.10 2x4g h ALA 310 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x4g h ALA 310 Cb 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2x4g h ALA 310 CO 0.04 0.10 -0.02 -0.09 0.00 0.00 0.00 179.25 179.27 2x4g h ARG 311 N 0.77 -0.07 -0.17 0.00 2.43 -1.08 0.36 114.38 116.63 2x4g h ARG 311 Ca 0.36 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.40 2x4g h ARG 311 Cb 0.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2x4g h ARG 311 CO -0.22 0.06 -0.42 0.93 -1.51 0.00 0.00 179.97 178.80 2x4g h GLU 312 N -0.18 0.58 0.08 0.20 5.08 -0.93 -2.16 114.58 117.25 2x4g h GLU 312 Ca -0.01 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.77 2x4g h GLU 312 Cb 0.15 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2x4g h GLU 312 CO 0.01 1.02 -0.89 0.93 -1.00 0.00 0.00 179.01 179.08 2x4g h GLU 313 N 0.23 0.16 0.00 2.33 5.08 -1.23 -3.39 114.58 117.76 2x4g h GLU 313 Ca -0.01 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2x4g h GLU 313 Cb 1.03 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2x4g h GLU 313 CO 0.09 1.13 -1.04 1.28 -1.00 0.00 0.00 179.01 179.48 2x4g n LEU 314 N -4.22 0.67 -0.01 1.33 4.77 0.12 -4.93 117.00 114.72 2x4g n LEU 314 Ca -0.20 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2x4g n LEU 314 Cb 0.74 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2x4g n LEU 314 CO 0.38 -0.08 -0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2x4g n GLY 315 N 1.27 0.46 3.80 -0.72 0.00 -0.81 -4.98 105.19 104.21 2x4g n GLY 315 Ca 0.01 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2x4g n GLY 315 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2x4g s PHE 316 N -1.92 3.61 -0.06 1.61 2.19 -0.92 -4.90 117.98 117.59 2x4g s PHE 316 Ca 0.00 0.80 -0.30 0.00 0.33 0.00 0.00 56.93 57.77 2x4g s PHE 316 Cb 0.00 -2.29 0.11 0.00 -1.31 0.00 0.00 43.02 39.53 2x4g s PHE 316 CO 0.00 0.48 0.94 -0.59 1.83 0.00 0.00 175.22 177.88 2x4g s PHE 317 N -0.41 -0.33 0.33 10.12 -0.12 -1.26 -2.38 117.98 123.93 2x4g s PHE 317 Ca 0.21 0.31 -0.26 0.00 -0.05 0.00 0.00 56.93 57.14 2x4g s PHE 317 Cb -0.15 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.66 2x4g s PHE 317 CO 0.09 -0.46 1.00 0.45 -0.05 0.00 0.00 175.22 176.25 2x4g s SER 318 N -2.10 7.17 0.00 1.98 0.15 -1.26 -4.96 113.70 114.68 2x4g s SER 318 Ca 0.04 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2x4g s SER 318 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2x4g s SER 318 CO -0.06 -0.20 0.27 0.35 1.20 0.00 0.00 173.24 174.80 2x4g n THR 319 N 0.52 0.00 -3.21 6.45 -2.24 -1.26 -5.08 114.28 109.47 2x4g n THR 319 Ca 0.02 -0.36 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 2x4g n THR 319 Cb 0.49 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.87 2x4g n THR 319 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x4g s THR 320 N -0.19 5.10 0.38 4.28 2.01 -1.26 -5.04 115.64 120.93 2x4g s THR 320 Ca 0.00 1.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.88 2x4g s THR 320 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 2x4g s THR 320 CO 0.00 0.32 1.45 0.00 -0.69 0.00 0.00 174.62 175.70 2x4g s ALA 321 N 0.56 3.51 0.42 7.40 0.00 -1.26 -4.91 121.76 127.48 2x4g s ALA 321 Ca 0.30 1.51 0.11 0.00 0.00 0.00 0.00 51.96 53.88 2x4g s ALA 321 Cb -0.16 -3.59 0.95 0.00 0.00 0.00 0.00 23.12 20.32 2x4g s ALA 321 CO 0.14 -1.02 2.01 1.25 0.00 0.00 0.00 175.76 178.14 2x4g h LEU 322 N 2.94 0.42 -0.61 0.00 5.85 -2.00 -2.44 115.31 119.47 2x4g h LEU 322 Ca -0.51 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.09 2x4g h LEU 322 Cb 1.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2x4g h LEU 322 CO 0.64 0.28 -0.25 0.44 -0.34 0.00 0.00 178.44 179.20 2x4g h ASP 323 N 0.48 0.85 -0.36 1.25 3.45 -1.98 -1.24 116.42 118.87 2x4g h ASP 323 Ca 0.22 -0.33 -0.05 0.00 0.43 0.00 0.00 57.03 57.30 2x4g h ASP 323 Cb 0.27 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 2x4g h ASP 323 CO -0.06 1.06 0.05 0.44 -1.57 0.00 0.00 179.24 179.16 2x4g h ASP 324 N 0.72 0.65 0.13 6.45 3.32 -1.82 0.26 116.42 126.14 2x4g h ASP 324 Ca 0.09 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2x4g h ASP 324 Cb 0.79 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2x4g h ASP 324 CO 0.07 0.69 -0.06 0.74 -1.72 0.00 0.00 179.24 178.95 2x4g h THR 325 N 0.66 1.03 -0.50 0.35 2.02 -1.32 -2.12 112.91 113.04 2x4g h THR 325 Ca 0.14 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.33 2x4g h THR 325 Cb 0.34 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2x4g h THR 325 CO 0.01 0.23 0.33 -0.07 0.37 0.00 0.00 175.52 176.39 2x4g h LEU 326 N -0.69 0.49 -0.82 2.58 3.38 -1.08 -1.88 115.31 117.29 2x4g h LEU 326 Ca -0.02 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2x4g h LEU 326 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2x4g h LEU 326 CO 0.03 0.34 -0.56 -0.07 0.09 0.00 0.00 178.44 178.27 2x4g h LEU 327 N 0.57 0.10 0.07 1.67 3.38 -0.43 -1.79 115.31 118.88 2x4g h LEU 327 Ca 0.20 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.83 2x4g h LEU 327 Cb 0.09 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.84 2x4g h LEU 327 CO -0.05 0.64 -1.19 -0.09 0.09 0.00 0.00 178.44 177.84 2x4g h ARG 328 N 0.07 0.55 0.39 1.13 2.43 -0.66 -0.49 114.38 117.80 2x4g h ARG 328 Ca -0.00 -0.72 -0.02 0.00 -0.81 0.00 0.00 59.98 58.43 2x4g h ARG 328 Cb 1.01 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2x4g h ARG 328 CO 0.08 1.31 -0.19 0.00 -1.51 0.00 0.00 179.97 179.67 2x4g h ALA 329 N 0.41 -0.52 -0.68 2.80 0.00 -1.44 -1.65 119.26 118.18 2x4g h ALA 329 Ca -0.16 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.76 2x4g h ALA 329 Cb 1.87 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.75 2x4g h ALA 329 CO 0.22 -0.77 0.10 0.82 0.00 0.00 0.00 179.25 179.62 2x4g h ILE 330 N -0.56 0.51 -0.47 0.00 2.04 -1.20 -0.40 117.51 117.44 2x4g h ILE 330 Ca -0.05 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2x4g h ILE 330 Cb 0.43 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2x4g h ILE 330 CO 0.09 0.04 -0.06 0.44 0.00 0.00 0.00 178.15 178.66 2x4g h ASP 331 N 0.20 0.86 -0.32 1.72 3.32 -0.96 -1.93 116.42 119.31 2x4g h ASP 331 Ca 0.37 -0.34 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2x4g h ASP 331 Cb 0.61 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2x4g h ASP 331 CO -0.51 0.99 0.13 -0.25 -1.72 0.00 0.00 179.24 177.87 2x4g h TRP 332 N 0.71 0.23 -0.85 4.55 7.01 -0.61 -0.63 115.95 126.36 2x4g h TRP 332 Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2x4g h TRP 332 Cb 0.58 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 2x4g h TRP 332 CO 0.04 0.11 0.48 0.74 -2.79 0.00 0.00 178.44 177.02 2x4g h PHE 333 N 0.27 1.15 -0.17 2.65 0.04 -0.86 -2.66 116.94 117.37 2x4g h PHE 333 Ca 0.14 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 2x4g h PHE 333 Cb 0.10 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 2x4g h PHE 333 CO -0.13 0.79 -0.08 -0.09 -0.60 0.00 0.00 178.31 178.21 2x4g h ARG 334 N 1.18 0.35 0.00 1.51 2.43 -0.99 0.18 114.38 119.05 2x4g h ARG 334 Ca 0.30 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2x4g h ARG 334 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2x4g h ARG 334 CO -0.05 0.66 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.55 2x4g h ASP 335 N 0.04 0.00 -0.71 -3.80 3.45 -0.92 -1.30 116.42 113.17 2x4g h ASP 335 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2x4g h ASP 335 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2x4g h ASP 335 CO 0.02 0.07 0.00 0.59 -1.57 0.00 0.00 179.24 178.35 2x4g n ASN 336 N -4.31 3.85 -1.28 6.45 4.13 -1.02 -4.98 115.26 118.10 2x4g n ASN 336 Ca -0.03 -2.00 -0.09 0.00 1.68 0.00 0.00 54.58 54.14 2x4g n ASN 336 Cb 0.15 -0.47 0.01 0.00 -1.54 0.00 0.00 39.78 37.93 2x4g n ASN 336 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x4g n GLY 337 N 1.64 0.09 0.14 7.41 0.00 -0.49 -4.92 105.19 109.08 2x4g n GLY 337 Ca 0.24 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2x4g n GLY 337 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x4g h TYR 338 N -0.36 0.00 -3.28 1.61 -1.99 -1.22 -3.44 116.97 108.28 2x4g h TYR 338 Ca -0.22 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 59.91 2x4g h TYR 338 Cb 1.16 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.78 2x4g h TYR 338 CO 0.23 0.00 -0.43 -0.06 -0.00 0.00 0.00 178.16 177.90 2x4g s PHE 339 N -3.14 3.43 -2.00 4.88 0.08 -1.26 -4.96 117.98 115.00 2x4g s PHE 339 Ca 0.09 0.43 0.24 0.00 0.12 0.00 0.00 56.93 57.81 2x4g s PHE 339 Cb 0.10 -2.23 1.42 0.00 -0.57 0.00 0.00 43.02 41.73 2x4g s PHE 339 CO 0.62 0.27 1.78 0.09 -0.10 0.00 0.00 175.22 177.88