#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1u n ILE 5 N 0.00 -0.10 -3.51 0.00 3.06 -1.26 -5.11 119.36 112.44 2c1u n ILE 5 Ca 0.00 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.86 2c1u n ILE 5 Cb 0.00 -0.31 -0.10 0.00 0.54 0.00 0.00 39.64 39.76 2c1u n ILE 5 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2c1u s ASP 6 N -2.05 6.09 0.09 9.51 2.15 -1.26 -5.01 116.67 126.20 2c1u s ASP 6 Ca 0.00 -0.15 -0.18 0.00 0.43 0.00 0.00 52.55 52.65 2c1u s ASP 6 Cb 0.00 -2.15 -0.07 0.00 -0.30 0.00 0.00 42.92 40.40 2c1u s ASP 6 CO 0.00 -0.18 1.56 0.78 -0.17 0.00 0.00 175.17 177.16 2c1u h ASN 7 N 8.40 0.44 -0.53 -0.34 2.35 -1.99 -1.20 115.58 122.71 2c1u h ASN 7 Ca -0.32 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.19 2c1u h ASN 7 Cb 1.17 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 2c1u h ASN 7 CO 0.62 0.59 0.30 1.23 -1.65 0.00 0.00 177.43 178.52 2c1u h GLY 8 N 0.26 0.75 0.92 2.83 0.00 -1.99 0.17 103.07 106.02 2c1u h GLY 8 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2c1u h GLY 8 CO 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 176.54 176.68 2c1u h ALA 9 N 1.25 -0.09 -0.88 3.60 0.00 -1.96 -1.26 119.26 119.91 2c1u h ALA 9 Ca 0.22 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2c1u h ALA 9 Cb 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2c1u h ALA 9 CO -0.12 -0.51 0.53 1.25 0.00 0.00 0.00 179.25 180.39 2c1u h LEU 10 N -0.17 0.79 -0.06 0.00 5.85 -0.97 -0.52 115.31 120.23 2c1u h LEU 10 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2c1u h LEU 10 Cb 0.14 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2c1u h LEU 10 CO 0.02 0.46 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.45 2c1u h ARG 11 N 0.90 0.14 -0.44 1.25 2.43 -0.58 -0.80 114.38 117.29 2c1u h ARG 11 Ca 0.41 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 2c1u h ARG 11 Cb 0.32 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 2c1u h ARG 11 CO -0.23 0.55 -0.07 1.49 -1.51 0.00 0.00 179.97 180.20 2c1u h GLU 12 N -0.28 0.03 -0.79 0.20 4.81 -0.95 0.29 114.58 117.89 2c1u h GLU 12 Ca 0.01 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2c1u h GLU 12 Cb 0.52 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2c1u h GLU 12 CO 0.01 0.02 0.34 1.49 -0.73 0.00 0.00 179.01 180.14 2c1u h GLU 13 N 0.03 1.16 0.00 1.92 4.81 -1.00 -2.58 114.58 118.92 2c1u h GLU 13 Ca 0.21 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2c1u h GLU 13 Cb 0.33 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2c1u h GLU 13 CO -0.43 0.92 -0.45 0.00 -0.73 0.00 0.00 179.01 178.33 2c1u h ALA 14 N 1.18 1.01 0.00 2.92 0.00 -0.31 -2.51 119.26 121.54 2c1u h ALA 14 Ca 0.27 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2c1u h ALA 14 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c1u h ALA 14 CO -0.03 0.56 0.00 0.87 0.00 0.00 0.00 179.25 180.65 2c1u h LYS 15 N 0.00 0.00 0.00 0.00 1.57 -0.57 0.24 116.57 117.80 2c1u h LYS 15 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2c1u h LYS 15 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2c1u h LYS 15 CO 0.06 0.00 0.00 0.78 -0.57 0.00 0.00 179.45 179.72 2c1u h GLY 16 N 2.90 0.00 0.00 3.86 0.00 -1.24 -3.39 103.07 105.19 2c1u h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2c1u h GLY 16 CO 0.00 0.00 -0.85 1.55 0.00 0.00 0.00 176.54 177.24 2c1u n VAL 17 N -2.98 0.00 -4.45 4.60 3.14 -1.03 -5.05 118.33 112.56 2c1u n VAL 17 Ca 0.03 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.11 2c1u n VAL 17 Cb 0.47 -0.78 -0.06 0.00 -1.06 0.00 0.00 33.84 32.41 2c1u n VAL 17 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2c1u s PHE 18 N -1.84 1.89 -0.02 1.45 0.08 0.04 0.02 117.98 119.60 2c1u s PHE 18 Ca 0.00 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.05 2c1u s PHE 18 Cb 0.00 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2c1u s PHE 18 CO 0.00 0.04 0.25 -2.00 -0.10 0.00 0.00 175.22 173.41 2c1u s GLU 19 N -3.99 0.58 0.47 0.44 2.12 -1.24 -4.62 118.70 112.46 2c1u s GLU 19 Ca 0.18 -0.22 -0.18 0.00 0.36 0.00 0.00 54.97 55.11 2c1u s GLU 19 Cb 0.01 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.56 2c1u s GLU 19 CO 0.10 -0.15 0.95 0.00 -0.54 0.00 0.00 175.26 175.62 2c1u s ALA 20 N -1.23 3.08 0.18 6.30 0.00 -1.26 -4.37 121.76 124.45 2c1u s ALA 20 Ca -0.13 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 2c1u s ALA 20 Cb -0.06 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2c1u s ALA 20 CO 0.03 -0.06 1.42 0.42 0.00 0.00 0.00 175.76 177.57 2c1u s ILE 21 N -2.41 2.98 0.72 0.00 -1.09 -1.26 -4.96 121.20 115.17 2c1u s ILE 21 Ca 0.59 0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 59.62 2c1u s ILE 21 Cb -0.10 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 2c1u s ILE 21 CO 0.24 0.09 1.19 -2.16 -1.23 0.00 0.00 174.94 173.06 2c1u s PRO 22 N 0.49 2.25 0.31 2.79 0.04 -1.26 -4.61 135.00 135.01 2c1u s PRO 22 Ca 0.63 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.40 2c1u s PRO 22 Cb -0.39 -1.85 0.51 0.00 0.04 0.00 0.00 34.50 32.81 2c1u s PRO 22 CO 0.35 -1.74 1.81 0.93 0.04 0.00 0.00 177.00 178.40 2c1u h GLU 23 N -0.23 0.54 -2.14 4.56 4.39 -1.99 -3.41 114.58 116.30 2c1u h GLU 23 Ca -0.47 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.02 2c1u h GLU 23 Cb 1.29 -0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 29.66 2c1u h GLU 23 CO 0.50 0.62 0.07 0.21 -1.16 0.00 0.00 179.01 179.25 2c1u s LYS 24 N -4.82 0.79 0.10 2.33 2.20 -1.26 -4.83 119.74 114.24 2c1u s LYS 24 Ca -0.08 0.87 -0.15 0.00 -0.36 0.00 0.00 55.97 56.25 2c1u s LYS 24 Cb 0.15 0.38 -0.07 0.00 -1.51 0.00 0.00 37.83 36.79 2c1u s LYS 24 CO 0.78 -0.11 0.51 -1.64 -0.36 0.00 0.00 175.35 174.53 2c1u s MET 25 N 0.23 3.98 -0.01 4.03 -1.94 -1.26 -4.99 119.30 119.34 2c1u s MET 25 Ca -0.01 0.49 0.02 0.00 -1.71 0.00 0.00 55.69 54.48 2c1u s MET 25 Cb -0.04 -3.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 2c1u s MET 25 CO 0.02 0.56 0.03 -2.37 -0.01 0.00 0.00 175.02 173.24 2c1u n THR 26 N 1.16 0.08 -3.90 2.05 5.66 -1.26 -4.96 114.28 113.12 2c1u n THR 26 Ca -0.08 -0.08 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 2c1u n THR 26 Cb 0.52 -0.26 -0.08 0.00 -1.55 0.00 0.00 70.33 68.96 2c1u n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c1u s ALA 27 N -2.12 -0.11 0.40 1.79 0.00 -1.26 -1.97 121.76 118.50 2c1u s ALA 27 Ca -0.01 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2c1u s ALA 27 Cb 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 2c1u s ALA 27 CO 0.10 -0.48 0.03 0.96 0.00 0.00 0.00 175.76 176.37 2c1u s ILE 28 N -3.83 1.56 -1.51 0.00 -4.36 -0.06 -4.88 121.20 108.11 2c1u s ILE 28 Ca 0.05 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2c1u s ILE 28 Cb 0.05 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.98 2c1u s ILE 28 CO -0.11 0.00 0.18 0.29 0.24 0.00 0.00 174.94 175.54 2c1u n LYS 29 N -0.92 -2.43 -2.19 0.37 5.02 -1.26 0.55 118.16 117.29 2c1u n LYS 29 Ca -0.06 0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 2c1u n LYS 29 Cb 0.67 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 2c1u n LYS 29 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2c1u s GLN 30 N -5.13 4.26 0.00 1.97 -0.21 -1.26 -4.24 119.66 115.04 2c1u s GLN 30 Ca 0.09 1.99 0.00 0.00 0.02 0.00 0.00 55.36 57.46 2c1u s GLN 30 Cb -0.04 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.31 2c1u s GLN 30 CO 0.11 -0.64 0.00 0.25 -2.12 0.00 0.00 175.29 172.89 2c1u n THR 31 N 4.87 0.00 0.19 -0.19 -2.24 -1.26 -4.93 114.28 110.72 2c1u n THR 31 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2c1u n THR 31 Cb 0.43 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2c1u n THR 31 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2c1u n GLU 36 N 0.00 0.14 0.00 -0.78 2.13 -1.26 -5.23 120.64 115.65 2c1u n GLU 36 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2c1u n GLU 36 Cb 0.06 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2c1u n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c1u n GLY 37 N 0.16 1.72 3.28 8.31 0.00 -1.26 -4.54 105.19 112.86 2c1u n GLY 37 Ca 0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2c1u n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c1u s VAL 38 N 0.00 3.16 0.19 1.61 1.01 0.19 -4.91 120.40 121.65 2c1u s VAL 38 Ca 0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 61.98 61.09 2c1u s VAL 38 Cb 0.00 -2.42 -0.14 0.00 0.00 0.00 0.00 36.38 33.81 2c1u s VAL 38 CO 0.00 0.44 1.34 -2.65 0.00 0.00 0.00 175.10 174.23 2c1u n PRO 39 N 4.77 1.68 -2.68 2.72 -0.02 -1.26 -0.88 135.00 139.33 2c1u n PRO 39 Ca -0.19 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 2c1u n PRO 39 Cb 0.51 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2c1u n PRO 39 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c1u s LEU 40 N 0.41 4.61 0.06 2.45 1.43 -0.83 -4.84 118.68 121.96 2c1u s LEU 40 Ca 0.72 2.02 0.05 0.00 -1.03 0.00 0.00 54.13 55.89 2c1u s LEU 40 Cb -0.75 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 2c1u s LEU 40 CO 0.49 0.06 -0.14 0.42 0.23 0.00 0.00 176.35 177.41 2c1u s THR 41 N -1.04 1.05 0.27 5.49 -4.23 -1.26 -4.94 115.64 110.98 2c1u s THR 41 Ca 0.43 -1.21 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 2c1u s THR 41 Cb -0.27 -1.01 0.26 0.00 1.34 0.00 0.00 72.50 72.82 2c1u s THR 41 CO 0.34 -0.18 1.86 0.00 -0.54 0.00 0.00 174.62 176.09 2c1u h ALA 42 N 4.47 1.38 -0.42 3.99 0.00 -1.99 -1.29 119.26 125.40 2c1u h ALA 42 Ca -0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2c1u h ALA 42 Cb 1.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2c1u h ALA 42 CO 0.41 0.32 0.19 0.93 0.00 0.00 0.00 179.25 181.10 2c1u h GLU 43 N 1.05 0.62 -0.28 0.00 3.07 -1.94 -0.16 114.58 116.94 2c1u h GLU 43 Ca 0.44 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 2c1u h GLU 43 Cb 0.29 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2c1u h GLU 43 CO -0.21 0.55 -0.24 0.87 -1.40 0.00 0.00 179.01 178.58 2c1u h LYS 44 N 0.54 0.66 -0.35 2.33 1.57 -1.72 -2.12 116.57 117.47 2c1u h LYS 44 Ca 0.14 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2c1u h LYS 44 Cb 0.15 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2c1u h LYS 44 CO -0.02 0.94 0.11 0.82 -0.57 0.00 0.00 179.45 180.74 2c1u h ILE 45 N 0.40 0.89 -0.55 1.86 2.04 -1.12 -0.78 117.51 120.25 2c1u h ILE 45 Ca 0.05 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 2c1u h ILE 45 Cb 0.80 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2c1u h ILE 45 CO 0.06 0.05 -0.08 -0.08 0.00 0.00 0.00 178.15 178.10 2c1u h GLU 46 N 0.26 1.01 -0.61 2.37 4.57 -1.02 -1.62 114.58 119.54 2c1u h GLU 46 Ca 0.16 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 2c1u h GLU 46 Cb 0.14 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2c1u h GLU 46 CO -0.17 1.04 0.16 1.25 -1.18 0.00 0.00 179.01 180.11 2c1u h LEU 47 N 0.90 0.92 -1.28 1.64 5.85 -1.18 -2.14 115.31 120.02 2c1u h LEU 47 Ca 0.15 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2c1u h LEU 47 Cb 0.64 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2c1u h LEU 47 CO 0.04 0.91 0.33 1.23 -0.34 0.00 0.00 178.44 180.61 2c1u h GLY 48 N 0.89 0.87 0.65 3.75 0.00 -0.89 0.17 103.07 108.52 2c1u h GLY 48 Ca 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2c1u h GLY 48 CO 0.00 0.36 -0.01 1.70 0.00 0.00 0.00 176.54 178.60 2c1u h LYS 49 N 0.83 0.05 -0.44 4.80 3.64 -1.09 0.13 116.57 124.49 2c1u h LYS 49 Ca 0.21 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 2c1u h LYS 49 Cb 0.02 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.75 2c1u h LYS 49 CO -0.03 0.41 -0.19 0.28 -2.27 0.00 0.00 179.45 177.64 2c1u h VAL 50 N -0.31 0.42 -0.43 2.00 2.07 -1.01 -2.17 116.25 116.82 2c1u h VAL 50 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2c1u h VAL 50 Cb 0.39 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2c1u h VAL 50 CO 0.00 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.76 2c1u h LEU 51 N -0.10 0.54 -1.28 2.57 3.38 -0.45 -2.67 115.31 117.31 2c1u h LEU 51 Ca 0.21 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.24 2c1u h LEU 51 Cb 0.42 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2c1u h LEU 51 CO -0.51 0.47 0.58 0.15 0.09 0.00 0.00 178.44 179.23 2c1u h PHE 52 N 0.56 0.83 -0.09 1.13 3.57 -0.38 -2.69 116.94 119.87 2c1u h PHE 52 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2c1u h PHE 52 Cb 0.06 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2c1u h PHE 52 CO -0.02 0.30 0.00 1.19 -2.23 0.00 0.00 178.31 177.55 2c1u n PHE 53 N -4.57 0.10 -3.19 0.41 3.01 -0.85 -1.72 117.46 110.65 2c1u n PHE 53 Ca 0.17 -0.05 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 2c1u n PHE 53 Cb 0.47 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 2c1u n PHE 53 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2c1u s ASP 54 N -1.88 6.32 0.00 4.37 -1.08 -1.01 -4.88 116.67 118.50 2c1u s ASP 54 Ca 0.33 -0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.40 2c1u s ASP 54 Cb 0.20 -2.29 0.88 0.00 -1.46 0.00 0.00 42.92 40.26 2c1u s ASP 54 CO 0.31 -0.59 1.62 -0.81 0.52 0.00 0.00 175.17 176.21 2c1u n PRO 55 N 5.92 0.10 0.00 4.34 -0.04 -1.26 -2.75 135.00 141.31 2c1u n PRO 55 Ca -0.04 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 2c1u n PRO 55 Cb 0.48 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.12 2c1u n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2c1u n ARG 56 N -1.42 0.29 0.00 0.54 1.74 -1.26 -2.38 116.66 114.17 2c1u n ARG 56 Ca 0.06 -0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 2c1u n ARG 56 Cb 0.20 -1.50 0.64 0.00 -1.02 0.00 0.00 32.46 30.78 2c1u n ARG 56 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2c1u n MET 57 N -1.33 0.43 -4.07 5.56 2.81 -1.11 -4.78 117.12 114.63 2c1u n MET 57 Ca 0.11 0.05 -0.24 0.00 -1.81 0.00 0.00 57.70 55.81 2c1u n MET 57 Cb 0.28 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.25 2c1u n MET 57 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2c1u s SER 58 N -2.47 5.67 0.16 7.83 1.04 -1.00 -4.94 113.70 120.00 2c1u s SER 58 Ca 0.26 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 2c1u s SER 58 Cb 0.16 -1.51 0.05 0.00 0.10 0.00 0.00 66.02 64.82 2c1u s SER 58 CO 0.36 0.02 1.81 0.28 0.98 0.00 0.00 173.24 176.68 2c1u h SER 59 N 1.97 0.44 1.00 7.02 0.02 -1.86 -2.39 113.55 119.75 2c1u h SER 59 Ca -0.48 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2c1u h SER 59 Cb 1.22 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2c1u h SER 59 CO 0.63 0.32 -0.21 0.77 -1.14 0.00 0.00 176.83 177.19 2c1u h SER 60 N 0.54 0.00 -0.07 3.07 4.64 -1.89 -0.10 113.55 119.74 2c1u h SER 60 Ca 0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 2c1u h SER 60 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2c1u h SER 60 CO -0.07 0.21 -0.03 0.61 -0.87 0.00 0.00 176.83 176.69 2c1u n GLY 61 N 0.23 0.50 0.00 -0.77 0.00 -0.90 -4.38 105.19 99.88 2c1u n GLY 61 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.79 2c1u n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c1u n LEU 62 N -0.16 0.07 -4.37 0.99 4.77 -1.22 -4.36 117.00 112.72 2c1u n LEU 62 Ca -0.01 -0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 2c1u n LEU 62 Cb 0.12 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 2c1u n LEU 62 CO 0.02 0.02 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.12 2c1u s ILE 63 N -2.67 3.74 0.44 -0.08 -1.09 -1.25 -4.86 121.20 115.43 2c1u s ILE 63 Ca -0.03 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.08 2c1u s ILE 63 Cb 0.07 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 2c1u s ILE 63 CO 0.46 0.40 0.11 -0.94 -1.23 0.00 0.00 174.94 173.74 2c1u s SER 64 N 1.47 4.21 0.21 3.58 1.04 -1.26 -3.89 113.70 119.05 2c1u s SER 64 Ca 0.05 -1.28 -0.09 0.00 0.48 0.00 0.00 55.95 55.11 2c1u s SER 64 Cb -0.15 -0.23 0.28 0.00 0.10 0.00 0.00 66.02 66.03 2c1u s SER 64 CO -0.00 -0.60 1.74 0.00 0.98 0.00 0.00 173.24 175.35 2c1u h GLN 66 N 0.39 0.24 -0.32 0.00 5.75 -1.60 -0.55 115.11 119.03 2c1u h GLN 66 Ca 0.31 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.86 2c1u h GLN 66 Cb 0.39 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 2c1u h GLN 66 CO -0.32 0.16 -0.10 1.15 -2.65 0.00 0.00 178.83 177.07 2c1u h THR 67 N 0.25 0.65 0.00 2.39 2.02 -1.60 -2.06 112.91 114.55 2c1u h THR 67 Ca 0.60 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.68 2c1u h THR 67 Cb 1.82 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2c1u h THR 67 CO -0.22 0.00 -1.74 0.00 0.37 0.00 0.00 175.52 173.93 2c1u n HIS 69 N -2.56 3.47 -1.58 0.00 8.25 -0.27 -1.67 115.22 120.86 2c1u n HIS 69 Ca -0.09 -3.17 -0.45 0.00 -0.26 0.00 0.00 57.72 53.75 2c1u n HIS 69 Cb 0.73 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2c1u n HIS 69 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2c1u n ASN 70 N -0.43 3.14 0.30 0.41 2.85 -0.78 -4.21 115.26 116.54 2c1u n ASN 70 Ca 0.40 0.38 0.20 0.00 -0.11 0.00 0.00 54.58 55.44 2c1u n ASN 70 Cb 0.55 -1.48 1.07 0.00 1.24 0.00 0.00 39.78 41.17 2c1u n ASN 70 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2c1u h VAL 71 N 6.85 0.00 0.00 3.44 -1.51 -1.87 0.40 116.25 123.56 2c1u h VAL 71 Ca -0.40 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 2c1u h VAL 71 Cb 1.26 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2c1u h VAL 71 CO 0.97 0.00 -0.69 0.61 -1.23 0.00 0.00 177.57 177.23 2c1u n GLY 72 N -1.12 -1.27 2.45 5.19 0.00 -1.26 -4.20 105.19 104.98 2c1u n GLY 72 Ca -0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2c1u n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c1u n LEU 73 N -1.79 5.76 -0.89 0.99 4.77 -0.68 -4.91 117.00 120.25 2c1u n LEU 73 Ca 0.04 -4.91 -0.11 0.00 -0.03 0.00 0.00 56.01 51.00 2c1u n LEU 73 Cb 0.39 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2c1u n LEU 73 CO 0.37 2.01 -0.11 0.61 -1.33 0.00 0.00 177.39 178.94 2c1u n GLY 74 N -0.60 1.01 2.13 -0.72 0.00 -1.24 -3.30 105.19 102.47 2c1u n GLY 74 Ca 0.46 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2c1u n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c1u n GLY 75 N -1.56 0.67 3.35 -0.02 0.00 0.05 -4.64 105.19 103.03 2c1u n GLY 75 Ca -0.11 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2c1u n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c1u s VAL 76 N -2.17 0.00 -1.55 1.61 -7.23 -1.17 -1.90 120.40 107.99 2c1u s VAL 76 Ca 0.00 -1.80 0.21 0.00 -1.81 0.00 0.00 61.98 58.59 2c1u s VAL 76 Cb 0.00 -2.45 -0.11 0.00 0.56 0.00 0.00 36.38 34.38 2c1u s VAL 76 CO 0.00 0.00 0.99 -0.90 -0.31 0.00 0.00 175.10 174.88 2c1u n ASP 77 N -0.65 1.56 -1.09 4.85 5.68 -0.67 -2.76 116.55 123.47 2c1u n ASP 77 Ca 0.02 -1.28 -0.11 0.00 -0.50 0.00 0.00 54.79 52.91 2c1u n ASP 77 Cb 0.64 0.71 -0.03 0.00 -1.14 0.00 0.00 41.12 41.30 2c1u n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c1u n GLY 78 N 1.44 0.58 3.42 6.12 0.00 -1.26 -5.03 105.19 110.47 2c1u n GLY 78 Ca 0.07 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 2c1u n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1u s LEU 79 N -2.95 2.45 0.08 0.99 1.43 -1.26 -4.60 118.68 114.82 2c1u s LEU 79 Ca 0.00 -0.88 -0.34 0.00 -1.03 0.00 0.00 54.13 51.88 2c1u s LEU 79 Cb 0.00 -1.14 -0.16 0.00 0.03 0.00 0.00 46.19 44.92 2c1u s LEU 79 CO 0.00 0.10 1.53 -0.65 0.23 0.00 0.00 176.35 177.56 2c1u h PRO 80 N 3.12 -0.87 -4.09 1.29 0.11 -1.89 -3.43 132.00 126.24 2c1u h PRO 80 Ca -0.46 0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.59 2c1u h PRO 80 Cb 1.21 0.20 -0.14 0.00 0.11 0.00 0.00 31.00 32.38 2c1u h PRO 80 CO 0.49 -0.58 -0.52 0.95 -0.21 0.00 0.00 178.00 178.13 2c1u s THR 81 N -5.67 0.15 0.24 -1.15 -4.23 -1.26 -3.30 115.64 100.42 2c1u s THR 81 Ca -0.17 -1.57 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 2c1u s THR 81 Cb 0.04 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 72.26 2c1u s THR 81 CO 0.57 -0.67 0.48 -0.94 -0.54 0.00 0.00 174.62 173.51 2c1u s SER 82 N -2.94 -0.09 -0.27 3.99 1.04 0.70 -4.86 113.70 111.27 2c1u s SER 82 Ca 0.12 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2c1u s SER 82 Cb 0.06 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.82 2c1u s SER 82 CO -0.06 -1.13 -0.08 -0.63 0.98 0.00 0.00 173.24 172.32 2c1u s ILE 83 N -4.01 2.38 0.00 -1.02 1.01 -1.26 -1.77 121.20 116.52 2c1u s ILE 83 Ca 0.22 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.26 2c1u s ILE 83 Cb -0.01 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2c1u s ILE 83 CO 0.08 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2c1u n GLY 84 N 4.47 0.46 3.04 6.18 0.00 -1.26 -5.06 105.19 113.02 2c1u n GLY 84 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 2c1u n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c1u s HIS 85 N -1.53 0.92 0.63 1.61 3.76 -1.26 -5.04 115.29 114.38 2c1u s HIS 85 Ca 0.00 -0.18 0.34 0.00 -0.15 0.00 0.00 55.06 55.07 2c1u s HIS 85 Cb 0.00 -0.60 1.89 0.00 1.11 0.00 0.00 32.58 34.98 2c1u s HIS 85 CO 0.00 -0.02 2.16 0.78 -0.85 0.00 0.00 174.74 176.81 2c1u h GLY 86 N 5.92 0.00 2.00 -2.22 0.00 -1.83 -2.03 103.07 104.91 2c1u h GLY 86 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2c1u h GLY 86 CO 0.49 0.00 0.00 -0.25 0.00 0.00 0.00 176.54 176.78 2c1u h TRP 87 N 0.00 0.00 -3.37 5.60 7.01 -1.87 -3.46 115.95 119.86 2c1u h TRP 87 Ca 0.04 0.00 -0.53 0.00 2.11 0.00 0.00 58.89 60.51 2c1u h TRP 87 Cb 0.34 0.00 0.05 0.00 -2.10 0.00 0.00 29.16 27.45 2c1u h TRP 87 CO 0.00 0.00 0.75 -0.65 -2.79 0.00 0.00 178.44 175.75 2c1u s GLN 88 N -3.27 4.28 0.13 2.65 -0.21 -0.77 -4.94 119.66 117.54 2c1u s GLN 88 Ca 0.07 2.27 0.08 0.00 0.02 0.00 0.00 55.36 57.80 2c1u s GLN 88 Cb 0.10 -3.12 -0.19 0.00 1.00 0.00 0.00 33.01 30.80 2c1u s GLN 88 CO 0.52 -0.41 1.28 0.87 -2.12 0.00 0.00 175.29 175.43 2c1u h LYS 89 N 5.12 0.00 0.00 2.91 1.79 -1.91 -3.49 116.57 121.00 2c1u h LYS 89 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2c1u h LYS 89 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2c1u h LYS 89 CO 0.78 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 180.52 2c1u n GLY 90 N 1.35 2.15 3.75 3.86 0.00 -1.26 -5.15 105.19 109.89 2c1u n GLY 90 Ca -0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2c1u n GLY 90 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c1u s PRO 91 N -0.77 4.50 0.07 1.61 0.02 -1.26 -4.88 135.00 134.30 2c1u s PRO 91 Ca 0.00 1.95 0.01 0.00 0.02 0.00 0.00 61.00 62.98 2c1u s PRO 91 Cb 0.00 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 2c1u s PRO 91 CO 0.00 -0.04 -0.06 1.03 -0.33 0.00 0.00 177.00 177.60 2c1u s ARG 92 N -0.92 0.71 0.12 5.54 1.81 -0.73 -4.84 118.95 120.64 2c1u s ARG 92 Ca 0.50 -1.18 -0.31 0.00 -1.72 0.00 0.00 55.73 53.02 2c1u s ARG 92 Cb -0.34 -0.12 -0.08 0.00 -0.45 0.00 0.00 34.95 33.96 2c1u s ARG 92 CO 0.42 -0.03 1.41 1.21 -0.68 0.00 0.00 175.30 177.63 2c1u s ASN 93 N -2.70 6.80 -0.03 0.23 3.84 -0.15 -0.21 114.94 122.72 2c1u s ASN 93 Ca 0.06 2.35 -0.30 0.00 0.21 0.00 0.00 52.86 55.18 2c1u s ASN 93 Cb 0.03 -2.59 -0.06 0.00 -0.55 0.00 0.00 41.25 38.09 2c1u s ASN 93 CO -0.05 -0.68 1.52 0.00 -2.79 0.00 0.00 177.10 175.11 2c1u s ALA 94 N 1.18 3.62 0.60 1.71 0.00 -1.26 -4.95 121.76 122.66 2c1u s ALA 94 Ca 0.65 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 2c1u s ALA 94 Cb -0.37 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 2c1u s ALA 94 CO 0.30 -1.16 1.07 -1.25 0.00 0.00 0.00 175.76 174.72 2c1u s PRO 95 N 3.18 3.24 0.33 0.00 0.04 -1.26 -4.75 135.00 135.78 2c1u s PRO 95 Ca 0.68 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 2c1u s PRO 95 Cb -0.32 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 2c1u s PRO 95 CO 0.27 -0.88 1.37 -0.08 0.04 0.00 0.00 177.00 177.72 2c1u s THR 96 N -2.38 2.56 0.14 1.26 -1.32 -1.26 -4.73 115.64 109.91 2c1u s THR 96 Ca 0.65 0.55 0.24 0.00 -1.21 0.00 0.00 61.69 61.92 2c1u s THR 96 Cb -0.17 -3.35 0.24 0.00 -1.51 0.00 0.00 72.50 67.71 2c1u s THR 96 CO 0.37 0.12 1.83 -0.03 -2.21 0.00 0.00 174.62 174.70 2c1u h MET 97 N 3.60 0.00 -6.39 7.08 4.05 -1.65 -3.40 114.93 118.23 2c1u h MET 97 Ca -0.49 0.00 -0.54 0.00 -0.28 0.00 0.00 59.70 58.40 2c1u h MET 97 Cb 1.23 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.04 2c1u h MET 97 CO 0.67 0.22 1.09 -0.51 0.23 0.00 0.00 176.91 178.61 2c1u s LEU 98 N -6.78 4.37 0.00 3.39 1.43 -1.26 -1.84 118.68 118.00 2c1u s LEU 98 Ca 0.00 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2c1u s LEU 98 Cb 0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2c1u s LEU 98 CO 0.63 -0.95 0.00 0.59 0.23 0.00 0.00 176.35 176.86 2c1u n ASN 99 N 6.44 -3.75 0.28 2.29 3.02 -0.12 -4.86 115.26 118.56 2c1u n ASN 99 Ca 0.17 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.86 2c1u n ASN 99 Cb 0.41 -2.21 0.84 0.00 -0.61 0.00 0.00 39.78 38.21 2c1u n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c1u h ALA 100 N 0.00 1.44 -0.84 5.41 0.00 -1.57 -1.61 119.26 122.08 2c1u h ALA 100 Ca 0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.07 2c1u h ALA 100 Cb 0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2c1u h ALA 100 CO 0.00 0.06 0.57 0.97 0.00 0.00 0.00 179.25 180.85 2c1u h ILE 101 N 0.00 0.67 -0.00 0.00 6.09 -1.85 -1.99 117.51 120.43 2c1u h ILE 101 Ca -0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2c1u h ILE 101 Cb 0.13 0.37 0.00 0.00 0.47 0.00 0.00 36.82 37.79 2c1u h ILE 101 CO 0.01 0.05 -0.01 0.49 -3.07 0.00 0.00 178.15 175.61 2c1u n PHE 102 N -4.44 0.00 -3.10 2.19 3.72 -0.61 -4.86 117.46 110.37 2c1u n PHE 102 Ca 0.17 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.16 2c1u n PHE 102 Cb 0.73 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 2c1u n PHE 102 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2c1u s ASN 103 N -2.27 6.48 0.25 4.37 0.01 -0.75 -4.91 114.94 118.11 2c1u s ASN 103 Ca 0.38 0.34 0.05 0.00 -0.71 0.00 0.00 52.86 52.91 2c1u s ASN 103 Cb 0.21 -2.34 0.31 0.00 0.41 0.00 0.00 41.25 39.84 2c1u s ASN 103 CO 0.42 -0.54 1.60 0.00 -1.51 0.00 0.00 177.10 177.07 2c1u h ALA 104 N 8.29 0.92 -2.85 0.60 0.00 -1.78 -3.41 119.26 121.03 2c1u h ALA 104 Ca -0.26 -0.50 -0.59 0.00 0.00 0.00 0.00 54.91 53.55 2c1u h ALA 104 Cb 1.11 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2c1u h ALA 104 CO 0.82 0.69 -0.13 0.00 0.00 0.00 0.00 179.25 180.63 2c1u s ALA 105 N -3.88 3.52 -0.85 0.00 0.00 -0.76 -4.98 121.76 114.81 2c1u s ALA 105 Ca -0.04 -0.33 0.12 0.00 0.00 0.00 0.00 51.96 51.71 2c1u s ALA 105 Cb 0.12 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 2c1u s ALA 105 CO 0.79 -0.19 0.61 1.04 0.00 0.00 0.00 175.76 178.01 2c1u n GLN 106 N 4.17 2.51 -4.35 0.00 6.02 -1.26 -4.74 117.38 119.73 2c1u n GLN 106 Ca -0.07 -0.35 -0.20 0.00 -0.01 0.00 0.00 57.00 56.38 2c1u n GLN 106 Cb 0.51 -1.11 -0.10 0.00 1.02 0.00 0.00 30.24 30.56 2c1u n GLN 106 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2c1u s PHE 107 N -1.84 1.79 0.10 1.08 0.08 -1.26 -4.51 117.98 113.41 2c1u s PHE 107 Ca 0.07 -0.52 -0.17 0.00 0.12 0.00 0.00 56.93 56.44 2c1u s PHE 107 Cb 0.09 -0.85 -0.06 0.00 -0.57 0.00 0.00 43.02 41.63 2c1u s PHE 107 CO 0.40 0.37 1.53 -1.49 -0.10 0.00 0.00 175.22 175.93 2c1u h TRP 108 N 2.80 0.58 -2.43 0.36 4.06 -1.95 -3.38 115.95 115.98 2c1u h TRP 108 Ca -0.40 -0.10 0.13 0.00 2.06 0.00 0.00 58.89 60.58 2c1u h TRP 108 Cb 1.22 -0.15 -0.11 0.00 -1.00 0.00 0.00 29.16 29.12 2c1u h TRP 108 CO 0.71 0.67 0.44 0.16 -3.56 0.00 0.00 178.44 176.86 2c1u s ASP 109 N -6.04 -0.29 0.00 -3.49 -4.77 -1.26 -0.65 116.67 100.17 2c1u s ASP 109 Ca -0.13 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 48.88 2c1u s ASP 109 Cb 0.08 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 2c1u s ASP 109 CO 0.76 -0.84 0.00 0.61 0.70 0.00 0.00 175.17 176.40 2c1u n GLY 110 N -0.38 -0.07 3.69 2.12 0.00 -0.70 -5.01 105.19 104.85 2c1u n GLY 110 Ca -0.08 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2c1u n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c1u s ARG 111 N -2.00 4.31 0.18 1.61 0.52 -1.26 -1.47 118.95 120.84 2c1u s ARG 111 Ca 0.00 1.91 -0.26 0.00 -0.52 0.00 0.00 55.73 56.86 2c1u s ARG 111 Cb 0.00 -3.51 0.03 0.00 0.52 0.00 0.00 34.95 31.99 2c1u s ARG 111 CO 0.00 -0.51 1.55 0.00 0.02 0.00 0.00 175.30 176.36 2c1u h ALA 112 N 7.55 -0.32 0.00 2.13 0.00 -1.65 0.11 119.26 127.08 2c1u h ALA 112 Ca -0.38 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2c1u h ALA 112 Cb 1.18 1.23 0.00 0.00 0.00 0.00 0.00 17.79 20.20 2c1u h ALA 112 CO 0.89 -0.85 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2c1u n ALA 113 N -3.31 1.37 -0.05 0.00 0.00 -1.26 -1.42 120.51 115.84 2c1u n ALA 113 Ca 0.04 0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 2c1u n ALA 113 Cb 0.31 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 2c1u n ALA 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2c1u n ASP 114 N -2.11 1.95 0.03 0.00 9.92 0.25 -4.12 116.55 122.46 2c1u n ASP 114 Ca 0.01 0.07 -0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2c1u n ASP 114 Cb 0.13 -0.59 0.30 0.00 -0.64 0.00 0.00 41.12 40.33 2c1u n ASP 114 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2c1u h LEU 115 N 0.04 0.43 -0.10 0.64 3.38 -0.84 -3.26 115.31 115.60 2c1u h LEU 115 Ca -0.48 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.40 2c1u h LEU 115 Cb 1.99 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 2c1u h LEU 115 CO 0.02 0.54 -0.06 0.00 0.09 0.00 0.00 178.44 179.03 2c1u h ALA 116 N 1.51 -0.07 -1.64 1.53 0.00 -1.39 -3.16 119.26 116.03 2c1u h ALA 116 Ca 0.09 0.01 -0.81 0.00 0.00 0.00 0.00 54.91 54.20 2c1u h ALA 116 Cb 0.39 1.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.93 2c1u h ALA 116 CO 0.02 -0.11 0.89 -1.91 0.00 0.00 0.00 179.25 178.14 2c1u n GLU 117 N -3.21 4.89 -3.66 0.00 2.13 -1.23 -4.92 120.64 114.65 2c1u n GLU 117 Ca 0.00 -4.61 -0.21 0.00 0.66 0.00 0.00 57.16 53.01 2c1u n GLU 117 Cb 0.03 -2.49 -0.18 0.00 0.27 0.00 0.00 31.44 29.07 2c1u n GLU 117 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2c1u s GLN 118 N -3.44 -0.05 -0.27 5.31 2.00 -1.20 -5.04 119.66 116.98 2c1u s GLN 118 Ca 0.34 0.31 -0.11 0.00 -2.00 0.00 0.00 55.36 53.90 2c1u s GLN 118 Cb 0.11 -0.73 -0.14 0.00 0.80 0.00 0.00 33.01 33.05 2c1u s GLN 118 CO 0.01 -0.39 -0.29 0.00 -0.50 0.00 0.00 175.29 174.12 2c1u n ALA 119 N 5.30 1.22 -1.80 1.58 0.00 -1.26 -4.99 120.51 120.56 2c1u n ALA 119 Ca -0.04 -1.06 -0.34 0.00 0.00 0.00 0.00 53.44 51.99 2c1u n ALA 119 Cb 0.50 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2c1u n ALA 119 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c1u s LYS 120 N -2.50 3.98 0.14 0.00 1.02 -1.26 -5.07 119.74 116.04 2c1u s LYS 120 Ca -0.37 1.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.94 2c1u s LYS 120 Cb 0.13 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.25 2c1u s LYS 120 CO 0.52 -0.28 0.20 0.41 -0.92 0.00 0.00 175.35 175.28 2c1u n GLY 121 N -0.18 -1.15 0.36 -3.33 0.00 -1.26 -4.54 105.19 95.09 2c1u n GLY 121 Ca 0.08 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.47 2c1u n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2c1u h PRO 122 N 0.00 0.94 -0.61 1.61 0.11 -1.95 0.16 132.00 132.26 2c1u h PRO 122 Ca -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 2c1u h PRO 122 Cb 0.18 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 2c1u h PRO 122 CO 0.05 0.62 0.30 0.28 -0.21 0.00 0.00 178.00 179.03 2c1u h VAL 123 N 0.96 1.20 0.00 3.15 2.07 -1.97 -3.30 116.25 118.36 2c1u h VAL 123 Ca 0.40 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2c1u h VAL 123 Cb 0.30 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2c1u h VAL 123 CO -0.16 0.23 -1.35 0.00 0.02 0.00 0.00 177.57 176.31 2c1u n GLN 124 N -4.36 0.47 -1.57 1.57 6.02 -1.13 -4.91 117.38 113.48 2c1u n GLN 124 Ca 0.06 -0.08 -0.52 0.00 -0.01 0.00 0.00 57.00 56.45 2c1u n GLN 124 Cb 0.12 -1.19 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 2c1u n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c1u n ALA 125 N -1.77 0.67 0.00 -1.58 0.00 0.53 -2.57 120.51 115.79 2c1u n ALA 125 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2c1u n ALA 125 Cb 0.22 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2c1u n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1u n GLY 126 N 5.45 2.07 0.00 0.00 0.00 -1.26 -3.98 105.19 107.46 2c1u n GLY 126 Ca 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2c1u n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2c1u n VAL 127 N 0.00 0.00 0.00 1.61 0.31 -1.06 -5.14 118.33 114.05 2c1u n VAL 127 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2c1u n VAL 127 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2c1u n VAL 127 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2c1u n SER 130 N 0.00 0.00 0.03 4.52 3.41 -1.26 -4.89 113.62 115.43 2c1u n SER 130 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2c1u n SER 130 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2c1u n SER 130 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2c1u h ASN 131 N 0.00 0.04 -0.79 4.04 4.21 -2.03 -3.42 115.58 117.63 2c1u h ASN 131 Ca 0.00 -0.05 0.13 0.00 1.21 0.00 0.00 56.30 57.59 2c1u h ASN 131 Cb 0.00 -0.01 -0.14 0.00 -1.12 0.00 0.00 38.32 37.05 2c1u h ASN 131 CO 0.00 1.04 -0.35 0.71 -1.29 0.00 0.00 177.43 177.54 2c1u h THR 132 N 0.01 0.09 -0.22 2.81 1.35 -1.98 -2.43 112.91 112.54 2c1u h THR 132 Ca -0.15 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.77 2c1u h THR 132 Cb 1.89 0.09 -0.07 0.00 -1.73 0.00 0.00 68.15 68.33 2c1u h THR 132 CO 0.11 0.00 -0.29 -0.65 -0.25 0.00 0.00 175.52 174.44 2c1u h PRO 133 N -0.08 -0.30 -0.48 4.72 0.11 -1.90 0.87 132.00 134.94 2c1u h PRO 133 Ca 0.29 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.49 2c1u h PRO 133 Cb 0.58 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.70 2c1u h PRO 133 CO -0.83 -0.20 0.14 -0.44 -0.21 0.00 0.00 178.00 176.46 2c1u h ASP 134 N -0.31 0.12 -0.57 -2.05 3.32 -1.80 0.00 116.42 115.12 2c1u h ASP 134 Ca 0.13 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2c1u h ASP 134 Cb 0.51 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2c1u h ASP 134 CO -0.40 0.09 0.24 1.56 -1.72 0.00 0.00 179.24 179.01 2c1u h GLN 135 N 0.30 0.89 -0.28 3.56 1.08 -0.61 -0.94 115.11 119.12 2c1u h GLN 135 Ca 0.23 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2c1u h GLN 135 Cb 0.26 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2c1u h GLN 135 CO -0.26 0.74 -0.02 0.28 -0.95 0.00 0.00 178.83 178.62 2c1u h VAL 136 N 0.88 1.27 -0.25 -0.54 2.07 0.15 -2.56 116.25 117.27 2c1u h VAL 136 Ca 0.21 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2c1u h VAL 136 Cb 0.18 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2c1u h VAL 136 CO -0.02 0.31 0.07 0.58 0.02 0.00 0.00 177.57 178.54 2c1u h VAL 137 N 0.29 1.20 -0.70 2.57 2.07 -0.85 0.34 116.25 121.17 2c1u h VAL 137 Ca 0.08 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2c1u h VAL 137 Cb 0.47 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2c1u h VAL 137 CO 0.02 0.21 0.45 0.11 0.02 0.00 0.00 177.57 178.38 2c1u h LYS 138 N 0.23 0.88 0.28 1.57 1.57 -1.21 0.26 116.57 120.15 2c1u h LYS 138 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2c1u h LYS 138 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2c1u h LYS 138 CO -0.00 0.58 -0.19 1.15 -0.57 0.00 0.00 179.45 180.42 2c1u h THR 139 N 0.90 0.59 -0.35 -0.16 2.02 -1.14 -2.64 112.91 112.13 2c1u h THR 139 Ca 0.27 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.53 2c1u h THR 139 Cb -0.04 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 2c1u h THR 139 CO -0.09 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 176.08 2c1u h ILE 140 N -0.47 0.56 -0.00 3.11 2.04 -0.44 -2.79 117.51 119.52 2c1u h ILE 140 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2c1u h ILE 140 Cb 0.40 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2c1u h ILE 140 CO 0.01 0.00 0.01 0.78 0.00 0.00 0.00 178.15 178.95 2c1u h ASN 141 N -0.06 0.00 0.98 1.72 2.35 -0.37 -2.13 115.58 118.07 2c1u h ASN 141 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2c1u h ASN 141 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2c1u h ASN 141 CO -0.40 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 173.84 2c1u n SER 142 N -3.70 0.25 -4.12 5.81 3.41 -1.01 -4.58 113.62 109.67 2c1u n SER 142 Ca -0.03 0.53 -0.33 0.00 -0.26 0.00 0.00 58.87 58.78 2c1u n SER 142 Cb 0.09 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.29 2c1u n SER 142 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2c1u s MET 143 N -3.05 2.52 0.49 4.33 -1.94 -0.80 -4.26 119.30 116.59 2c1u s MET 143 Ca 0.11 -1.17 0.16 0.00 -1.71 0.00 0.00 55.69 53.08 2c1u s MET 143 Cb 0.15 -2.88 1.20 0.00 2.01 0.00 0.00 34.83 35.30 2c1u s MET 143 CO 0.48 -0.47 2.08 -1.35 -0.01 0.00 0.00 175.02 175.74 2c1u h PRO 144 N 7.88 0.14 -0.54 2.03 0.11 -1.84 -1.63 132.00 138.16 2c1u h PRO 144 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2c1u h PRO 144 Cb 1.07 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2c1u h PRO 144 CO 0.53 0.10 0.14 0.93 -0.21 0.00 0.00 178.00 179.48 2c1u h GLU 145 N 0.15 0.82 -0.15 1.05 5.08 -1.93 -0.73 114.58 118.87 2c1u h GLU 145 Ca 0.12 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2c1u h GLU 145 Cb 0.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2c1u h GLU 145 CO -0.02 0.73 0.06 1.88 -1.00 0.00 0.00 179.01 180.67 2c1u h TYR 146 N 0.79 0.22 -0.73 4.33 0.05 -1.58 -1.58 116.97 118.48 2c1u h TYR 146 Ca 0.18 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.00 2c1u h TYR 146 Cb 0.27 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 37.89 2c1u h TYR 146 CO 0.02 0.29 0.43 0.28 -1.05 0.00 0.00 178.16 178.12 2c1u h VAL 147 N 0.10 1.00 -0.30 -2.88 2.07 -1.25 0.44 116.25 115.42 2c1u h VAL 147 Ca 0.05 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2c1u h VAL 147 Cb 0.15 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2c1u h VAL 147 CO -0.00 0.14 0.04 -0.08 0.02 0.00 0.00 177.57 177.69 2c1u h GLU 148 N 0.79 0.51 -0.59 1.57 4.81 -1.10 -1.83 114.58 118.74 2c1u h GLU 148 Ca 0.32 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2c1u h GLU 148 Cb 0.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2c1u h GLU 148 CO -0.17 0.62 0.36 0.00 -0.73 0.00 0.00 179.01 179.09 2c1u h ALA 149 N 0.87 0.77 -0.63 2.92 0.00 -0.82 -2.44 119.26 119.92 2c1u h ALA 149 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2c1u h ALA 149 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2c1u h ALA 149 CO 0.01 0.09 0.11 0.74 0.00 0.00 0.00 179.25 180.21 2c1u h PHE 150 N 0.71 1.08 -0.55 0.00 -1.00 -0.80 -1.17 116.94 115.20 2c1u h PHE 150 Ca 0.24 -0.14 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 2c1u h PHE 150 Cb 0.02 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.26 2c1u h PHE 150 CO -0.06 0.90 0.08 0.87 -1.61 0.00 0.00 178.31 178.49 2c1u h LYS 151 N 0.96 0.88 -0.15 1.51 1.57 -1.11 0.17 116.57 120.40 2c1u h LYS 151 Ca 0.20 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2c1u h LYS 151 Cb 0.40 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2c1u h LYS 151 CO 0.01 0.83 -0.63 0.00 -0.57 0.00 0.00 179.45 179.09 2c1u h ALA 152 N 1.25 0.63 0.08 3.86 0.00 -1.22 -2.95 119.26 120.90 2c1u h ALA 152 Ca 0.17 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 2c1u h ALA 152 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2c1u h ALA 152 CO 0.01 0.71 -1.11 0.00 0.00 0.00 0.00 179.25 178.86 2c1u h ALA 153 N 0.92 0.22 -2.18 0.00 0.00 -1.00 -3.37 119.26 113.85 2c1u h ALA 153 Ca -0.01 -0.81 -0.61 0.00 0.00 0.00 0.00 54.91 53.48 2c1u h ALA 153 Cb 1.19 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.56 2c1u h ALA 153 CO 0.12 0.91 -0.51 1.19 0.00 0.00 0.00 179.25 180.96 2c1u n PHE 154 N -3.62 3.61 0.26 0.00 3.72 0.57 -4.64 117.46 117.37 2c1u n PHE 154 Ca -0.07 -4.06 0.09 0.00 -0.05 0.00 0.00 57.45 53.36 2c1u n PHE 154 Cb 0.94 -0.60 0.68 0.00 -0.94 0.00 0.00 39.48 39.57 2c1u n PHE 154 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2c1u h PRO 155 N 4.16 0.00 -0.48 -1.08 0.13 -1.69 -2.75 132.00 130.29 2c1u h PRO 155 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2c1u h PRO 155 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2c1u h PRO 155 CO 0.87 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 179.06 2c1u n GLU 156 N -4.33 2.16 -4.05 0.86 -0.58 -1.26 -4.85 120.64 108.59 2c1u n GLU 156 Ca -0.03 -1.64 -0.34 0.00 -0.42 0.00 0.00 57.16 54.73 2c1u n GLU 156 Cb 0.12 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 29.44 2c1u n GLU 156 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2c1u s GLU 157 N -1.46 3.34 0.24 3.49 2.56 -1.04 -4.97 118.70 120.87 2c1u s GLU 157 Ca 0.30 -0.65 -0.04 0.00 0.00 0.00 0.00 54.97 54.58 2c1u s GLU 157 Cb 0.16 -2.91 0.28 0.00 2.00 0.00 0.00 34.13 33.66 2c1u s GLU 157 CO 0.19 -0.14 1.74 0.00 -0.56 0.00 0.00 175.26 176.50 2c1u h ALA 158 N 7.89 1.06 -2.24 6.30 0.00 -1.88 -3.36 119.26 127.02 2c1u h ALA 158 Ca -0.40 -0.27 -0.60 0.00 0.00 0.00 0.00 54.91 53.65 2c1u h ALA 158 Cb 1.16 -0.21 -0.42 0.00 0.00 0.00 0.00 17.79 18.33 2c1u h ALA 158 CO 0.60 0.60 -0.62 -3.47 0.00 0.00 0.00 179.25 176.36 2c1u n ASP 159 N -4.21 3.53 0.15 0.00 2.03 -1.26 -4.96 116.55 111.82 2c1u n ASP 159 Ca 0.03 -3.39 0.12 0.00 0.52 0.00 0.00 54.79 52.07 2c1u n ASP 159 Cb 0.30 -0.67 0.09 0.00 -0.72 0.00 0.00 41.12 40.12 2c1u n ASP 159 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2c1u h PRO 160 N 4.25 0.00 -5.12 -0.67 0.13 -1.91 -3.40 132.00 125.28 2c1u h PRO 160 Ca 0.19 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.61 2c1u h PRO 160 Cb 0.68 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.66 2c1u h PRO 160 CO 0.81 0.00 1.44 0.08 -0.23 0.00 0.00 178.00 180.10 2c1u s VAL 161 N -3.28 4.71 0.27 1.56 1.01 -1.26 -4.70 120.40 118.71 2c1u s VAL 161 Ca 0.03 -2.16 0.07 0.00 0.00 0.00 0.00 61.98 59.92 2c1u s VAL 161 Cb 0.08 -4.95 -0.06 0.00 0.00 0.00 0.00 36.38 31.45 2c1u s VAL 161 CO 0.73 -1.70 -0.06 0.42 0.00 0.00 0.00 175.10 174.48 2c1u s THR 162 N 2.56 1.61 0.27 3.92 -4.23 -1.26 -4.96 115.64 113.55 2c1u s THR 162 Ca 0.43 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2c1u s THR 162 Cb -0.02 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.53 2c1u s THR 162 CO -0.01 -0.33 1.76 0.15 -0.54 0.00 0.00 174.62 175.65 2c1u h PHE 163 N 2.32 0.79 -0.65 3.99 3.57 -1.92 -1.00 116.94 124.04 2c1u h PHE 163 Ca -0.40 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.05 2c1u h PHE 163 Cb 1.23 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 2c1u h PHE 163 CO 0.68 0.75 0.35 -0.44 -2.23 0.00 0.00 178.31 177.42 2c1u h ASP 164 N 0.68 0.52 -0.26 0.41 5.19 -1.96 -0.42 116.42 120.58 2c1u h ASP 164 Ca 0.13 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.46 2c1u h ASP 164 Cb 0.47 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2c1u h ASP 164 CO 0.02 0.34 -0.24 0.78 -3.12 0.00 0.00 179.24 177.02 2c1u h ASN 165 N 0.66 0.76 -0.52 6.45 2.35 -1.73 0.15 115.58 123.70 2c1u h ASN 165 Ca 0.29 -0.28 0.09 0.00 -0.55 0.00 0.00 56.30 55.86 2c1u h ASN 165 Cb 0.19 -0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.27 2c1u h ASN 165 CO -0.18 0.98 0.07 0.15 -1.65 0.00 0.00 177.43 176.80 2c1u h PHE 166 N 0.65 0.11 -0.32 1.19 3.04 -0.94 0.17 116.94 120.83 2c1u h PHE 166 Ca 0.09 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.90 2c1u h PHE 166 Cb 0.75 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.29 2c1u h PHE 166 CO 0.04 -0.05 -0.47 0.00 -2.02 0.00 0.00 178.31 175.81 2c1u h ALA 167 N 1.42 0.49 -0.84 2.41 0.00 -0.39 -2.48 119.26 119.88 2c1u h ALA 167 Ca 0.26 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2c1u h ALA 167 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2c1u h ALA 167 CO -0.37 0.65 0.49 0.00 0.00 0.00 0.00 179.25 180.02 2c1u h ALA 168 N 0.71 1.28 -0.21 0.00 0.00 -0.49 -1.64 119.26 118.91 2c1u h ALA 168 Ca 0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2c1u h ALA 168 Cb 1.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2c1u h ALA 168 CO 0.11 0.61 -0.34 0.00 0.00 0.00 0.00 179.25 179.63 2c1u h ALA 169 N 1.37 0.32 -0.89 0.00 0.00 -0.78 -2.54 119.26 116.74 2c1u h ALA 169 Ca 0.30 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2c1u h ALA 169 Cb -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2c1u h ALA 169 CO -0.05 0.37 0.58 0.82 0.00 0.00 0.00 179.25 180.97 2c1u h ILE 170 N 0.28 1.15 -0.52 0.00 2.04 -1.29 -1.63 117.51 117.55 2c1u h ILE 170 Ca 0.02 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2c1u h ILE 170 Cb 0.93 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2c1u h ILE 170 CO 0.08 0.21 0.34 -0.08 0.00 0.00 0.00 178.15 178.70 2c1u h GLU 171 N 1.13 0.64 -0.19 2.37 4.81 -1.18 0.51 114.58 122.67 2c1u h GLU 171 Ca 0.35 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 2c1u h GLU 171 Cb -0.01 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2c1u h GLU 171 CO -0.11 0.42 -0.17 1.96 -0.73 0.00 0.00 179.01 180.37 2c1u h GLN 172 N 0.65 0.45 -0.65 1.92 4.20 -0.89 -1.54 115.11 119.25 2c1u h GLN 172 Ca 0.20 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2c1u h GLN 172 Cb -0.01 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2c1u h GLN 172 CO -0.05 0.80 0.43 0.35 -0.67 0.00 0.00 178.83 179.69 2c1u h PHE 173 N 0.12 0.82 -0.96 2.96 3.57 -0.86 -2.58 116.94 120.01 2c1u h PHE 173 Ca 0.03 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.68 2c1u h PHE 173 Cb 0.71 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 2c1u h PHE 173 CO 0.08 0.52 0.61 1.49 -2.23 0.00 0.00 178.31 178.78 2c1u h GLU 174 N 0.88 0.83 0.00 1.11 4.81 0.30 -0.19 114.58 122.32 2c1u h GLU 174 Ca 0.24 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2c1u h GLU 174 Cb -0.10 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.10 2c1u h GLU 174 CO -0.05 0.55 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 2c1u h ALA 175 N 1.57 1.00 0.00 2.92 0.00 -0.86 -0.64 119.26 123.25 2c1u h ALA 175 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2c1u h ALA 175 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2c1u h ALA 175 CO -0.25 0.00 -0.55 0.25 0.00 0.00 0.00 179.25 178.70 2c1u n THR 176 N -2.56 0.04 -1.77 0.00 -2.24 -0.09 -4.49 114.28 103.18 2c1u n THR 176 Ca -0.01 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 2c1u n THR 176 Cb 0.13 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2c1u n THR 176 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2c1u n LEU 177 N -1.57 7.67 -4.59 3.22 4.77 -0.25 -4.92 117.00 121.33 2c1u n LEU 177 Ca 0.05 -4.58 -0.27 0.00 -0.03 0.00 0.00 56.01 51.18 2c1u n LEU 177 Cb 0.35 -1.36 -0.09 0.00 -2.33 0.00 0.00 43.42 39.99 2c1u n LEU 177 CO 0.36 1.98 -0.40 0.27 -1.33 0.00 0.00 177.39 178.27 2c1u s ILE 178 N -0.95 3.32 -0.65 -0.08 -4.36 -1.26 -0.94 121.20 116.28 2c1u s ILE 178 Ca 0.57 -1.54 0.05 0.00 -0.26 0.00 0.00 60.65 59.47 2c1u s ILE 178 Cb 0.23 -2.63 0.19 0.00 1.25 0.00 0.00 42.46 41.50 2c1u s ILE 178 CO -0.12 -0.07 0.55 0.35 0.24 0.00 0.00 174.94 175.89 2c1u n THR 179 N 0.13 1.47 -0.86 8.37 -2.24 -1.26 -4.59 114.28 115.30 2c1u n THR 179 Ca -0.11 -4.79 -0.29 0.00 -2.27 0.00 0.00 64.05 56.59 2c1u n THR 179 Cb 0.55 -2.11 0.23 0.00 -2.10 0.00 0.00 70.33 66.90 2c1u n THR 179 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2c1u s PRO 180 N -1.57 -0.83 -1.62 -0.78 0.04 -1.26 -3.98 135.00 124.99 2c1u s PRO 180 Ca 0.30 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2c1u s PRO 180 Cb 0.02 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2c1u s PRO 180 CO -0.13 -3.56 0.00 0.09 0.04 0.00 0.00 177.00 173.44 2c1u n ASN 181 N -4.74 -5.30 -4.56 6.66 3.02 -1.26 -1.64 115.26 107.44 2c1u n ASN 181 Ca 0.07 0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.37 2c1u n ASN 181 Cb 0.57 -4.37 0.19 0.00 -0.61 0.00 0.00 39.78 35.57 2c1u n ASN 181 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2c1u n SER 182 N -1.41 -0.66 -0.27 6.41 3.41 -1.26 -4.62 113.62 115.21 2c1u n SER 182 Ca -0.21 0.21 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2c1u n SER 182 Cb 0.66 -1.36 0.26 0.00 -0.26 0.00 0.00 64.21 63.50 2c1u n SER 182 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c1u h ALA 183 N -2.11 1.54 -0.47 7.33 0.00 -1.66 -0.97 119.26 122.92 2c1u h ALA 183 Ca -0.49 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2c1u h ALA 183 Cb 1.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2c1u h ALA 183 CO 0.42 0.35 0.01 0.35 0.00 0.00 0.00 179.25 180.39 2c1u h PHE 184 N 0.99 0.89 -0.90 0.00 3.57 -1.66 0.22 116.94 120.04 2c1u h PHE 184 Ca 0.36 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2c1u h PHE 184 Cb 0.16 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 2c1u h PHE 184 CO -0.00 0.85 0.52 -0.44 -2.23 0.00 0.00 178.31 177.01 2c1u h ASP 185 N 0.67 1.10 0.20 0.41 5.19 -1.61 -0.11 116.42 122.27 2c1u h ASP 185 Ca 0.13 -0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 56.33 2c1u h ASP 185 Cb 0.48 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2c1u h ASP 185 CO 0.02 0.86 -0.51 0.03 -3.12 0.00 0.00 179.24 176.52 2c1u h ARG 186 N 1.25 0.35 0.26 3.56 3.08 -0.79 0.13 114.38 122.21 2c1u h ARG 186 Ca 0.32 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2c1u h ARG 186 Cb -0.02 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2c1u h ARG 186 CO -0.06 0.78 -0.12 0.35 -1.07 0.00 0.00 179.97 179.85 2c1u h PHE 187 N 0.27 -0.32 -0.68 3.04 3.57 -0.62 -0.55 116.94 121.66 2c1u h PHE 187 Ca 0.01 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2c1u h PHE 187 Cb 1.00 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.73 2c1u h PHE 187 CO 0.03 -0.17 0.08 1.25 -2.23 0.00 0.00 178.31 177.26 2c1u h LEU 188 N -0.37 -0.15 -2.47 0.59 5.85 -0.73 -0.93 115.31 117.10 2c1u h LEU 188 Ca -0.04 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2c1u h LEU 188 Cb 0.29 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2c1u h LEU 188 CO 0.06 -0.09 -0.01 0.00 -0.34 0.00 0.00 178.44 178.06 2c1u h ALA 189 N 1.60 1.03 0.00 1.25 0.00 -0.85 -3.45 119.26 118.83 2c1u h ALA 189 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2c1u h ALA 189 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2c1u h ALA 189 CO -0.53 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.13 2c1u n GLY 190 N -0.73 -0.16 3.42 0.00 0.00 -0.36 -5.10 105.19 102.26 2c1u n GLY 190 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2c1u n GLY 190 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c1u s ASP 191 N -0.15 6.21 0.38 1.61 2.15 -0.23 -4.92 116.67 121.72 2c1u s ASP 191 Ca 0.00 -1.09 0.06 0.00 0.43 0.00 0.00 52.55 51.95 2c1u s ASP 191 Cb 0.00 -2.32 0.77 0.00 -0.30 0.00 0.00 42.92 41.07 2c1u s ASP 191 CO 0.00 -1.05 2.00 0.44 -0.17 0.00 0.00 175.17 176.38 2c1u h ASP 192 N 9.14 0.48 -0.02 -0.34 3.32 -1.86 -2.46 116.42 124.69 2c1u h ASP 192 Ca -0.28 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2c1u h ASP 192 Cb 1.09 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2c1u h ASP 192 CO 1.05 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 178.99 2c1u n ALA 193 N -2.47 2.63 0.19 3.45 0.00 -1.26 -3.90 120.51 119.15 2c1u n ALA 193 Ca 0.03 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.27 2c1u n ALA 193 Cb 0.12 -1.35 0.39 0.00 0.00 0.00 0.00 19.45 18.61 2c1u n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c1u h ALA 194 N 3.94 1.21 -3.40 0.00 0.00 -1.77 -3.44 119.26 115.80 2c1u h ALA 194 Ca 0.00 -0.32 -0.65 0.00 0.00 0.00 0.00 54.91 53.94 2c1u h ALA 194 Cb 0.13 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.66 2c1u h ALA 194 CO 0.00 0.44 -0.83 -1.64 0.00 0.00 0.00 179.25 177.22 2c1u s MET 195 N -3.95 1.44 0.83 0.00 -1.94 -1.25 -4.82 119.30 109.60 2c1u s MET 195 Ca -0.02 -1.45 -0.12 0.00 -1.71 0.00 0.00 55.69 52.40 2c1u s MET 195 Cb 0.13 -1.79 0.09 0.00 2.01 0.00 0.00 34.83 35.27 2c1u s MET 195 CO 0.69 0.40 1.14 0.95 -0.01 0.00 0.00 175.02 178.19 2c1u s THR 196 N -1.50 2.44 0.20 2.05 -4.23 -1.26 -4.86 115.64 108.47 2c1u s THR 196 Ca 0.18 0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 2c1u s THR 196 Cb -0.08 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 70.88 2c1u s THR 196 CO 0.08 -0.19 1.76 0.44 -0.54 0.00 0.00 174.62 176.18 2c1u h ASP 197 N -1.16 0.31 -0.90 3.99 3.32 -1.99 -0.95 116.42 119.04 2c1u h ASP 197 Ca -0.48 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2c1u h ASP 197 Cb 1.31 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 2c1u h ASP 197 CO 0.63 0.20 0.49 -0.61 -1.72 0.00 0.00 179.24 178.23 2c1u h GLN 198 N 0.47 1.26 -0.40 3.56 4.15 -1.97 0.34 115.11 122.52 2c1u h GLN 198 Ca 0.28 -0.15 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 2c1u h GLN 198 Cb 0.29 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2c1u h GLN 198 CO -0.25 0.92 -0.32 0.93 -1.93 0.00 0.00 178.83 178.18 2c1u h GLU 199 N 1.26 0.89 -0.67 1.69 5.08 -1.73 -1.37 114.58 119.74 2c1u h GLU 199 Ca 0.32 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2c1u h GLU 199 Cb 0.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2c1u h GLU 199 CO -0.05 1.08 0.29 0.87 -1.00 0.00 0.00 179.01 180.20 2c1u h LYS 200 N 0.74 0.98 -0.81 2.33 1.57 -0.92 -0.21 116.57 120.26 2c1u h LYS 200 Ca 0.08 -0.16 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2c1u h LYS 200 Cb 0.89 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 2c1u h LYS 200 CO 0.08 0.80 0.53 0.00 -0.57 0.00 0.00 179.45 180.29 2c1u h ARG 201 N 0.93 0.76 -0.22 3.15 3.08 -0.68 -1.16 114.38 120.25 2c1u h ARG 201 Ca 0.23 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 2c1u h ARG 201 Cb 0.17 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2c1u h ARG 201 CO -0.02 0.50 -0.43 0.78 -1.07 0.00 0.00 179.97 179.73 2c1u h GLY 202 N 0.79 0.75 0.56 0.04 0.00 -0.52 -0.83 103.07 103.86 2c1u h GLY 202 Ca 0.37 -0.88 0.05 0.00 0.00 0.00 0.00 47.33 46.87 2c1u h GLY 202 CO -0.14 0.79 0.08 -2.00 0.00 0.00 0.00 176.54 175.27 2c1u h LEU 203 N 0.39 0.02 -0.14 3.11 5.85 -0.72 0.18 115.31 124.00 2c1u h LEU 203 Ca 0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2c1u h LEU 203 Cb 1.03 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2c1u h LEU 203 CO 0.10 0.05 0.09 -0.61 -0.34 0.00 0.00 178.44 177.72 2c1u h GLN 204 N 0.20 0.18 -0.45 1.25 4.15 -1.05 -1.59 115.11 117.79 2c1u h GLN 204 Ca 0.17 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2c1u h GLN 204 Cb 0.20 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2c1u h GLN 204 CO -0.23 0.12 0.23 0.00 -1.93 0.00 0.00 178.83 177.02 2c1u h ALA 205 N 1.05 0.59 -0.89 3.38 0.00 -0.87 0.14 119.26 122.65 2c1u h ALA 205 Ca 0.05 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.02 2c1u h ALA 205 Cb -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.49 2c1u h ALA 205 CO -0.01 0.14 0.47 0.35 0.00 0.00 0.00 179.25 180.20 2c1u h PHE 206 N 0.59 0.82 0.21 0.00 3.57 -0.38 -0.13 116.94 121.63 2c1u h PHE 206 Ca 0.16 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.38 2c1u h PHE 206 Cb 0.10 -0.23 0.03 0.00 2.79 0.00 0.00 35.95 38.64 2c1u h PHE 206 CO -0.01 0.17 -1.44 0.52 -2.23 0.00 0.00 178.31 175.32 2c1u h MET 207 N 0.64 0.44 0.01 1.11 2.86 -0.93 -2.95 114.93 116.11 2c1u h MET 207 Ca 0.50 -0.75 -0.21 0.00 -2.06 0.00 0.00 59.70 57.18 2c1u h MET 207 Cb 0.74 0.28 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2c1u h MET 207 CO -0.38 1.36 -0.92 1.05 1.06 0.00 0.00 176.91 179.08 2c1u h GLU 208 N 0.01 0.22 -0.03 1.72 4.11 -0.53 -3.30 114.58 116.78 2c1u h GLU 208 Ca -0.27 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2c1u h GLU 208 Cb 2.03 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.36 2c1u h GLU 208 CO 0.21 0.99 0.00 0.25 0.07 0.00 0.00 179.01 180.54 2c1u n THR 209 N -3.65 0.04 -0.46 -1.06 -2.24 -0.08 -4.90 114.28 101.93 2c1u n THR 209 Ca -0.04 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2c1u n THR 209 Cb 0.83 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2c1u n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c1u n GLY 210 N 0.89 0.76 0.34 3.38 0.00 -1.24 -4.46 105.19 104.85 2c1u n GLY 210 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2c1u n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1u n THR 212 N -4.47 1.05 0.08 0.00 -2.24 -1.24 -1.70 114.28 105.75 2c1u n THR 212 Ca 0.07 0.43 0.17 0.00 -2.27 0.00 0.00 64.05 62.45 2c1u n THR 212 Cb 0.26 -1.37 0.68 0.00 -2.10 0.00 0.00 70.33 67.80 2c1u n THR 212 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c1u h ALA 213 N 2.18 2.36 0.00 6.98 0.00 -1.84 -3.34 119.26 125.59 2c1u h ALA 213 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c1u h ALA 213 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2c1u h ALA 213 CO 0.00 -0.46 -0.88 0.00 0.00 0.00 0.00 179.25 177.90 2c1u s HIS 215 N -1.88 3.79 0.33 0.00 4.02 -0.69 -4.34 115.29 116.52 2c1u s HIS 215 Ca 0.00 -2.56 0.05 0.00 1.02 0.00 0.00 55.06 53.57 2c1u s HIS 215 Cb 0.00 -3.52 -0.03 0.00 -1.02 0.00 0.00 32.58 28.01 2c1u s HIS 215 CO 0.00 -0.88 0.21 1.52 1.02 0.00 0.00 174.74 176.60 2c1u s TYR 216 N -0.51 1.67 0.00 1.40 -0.85 -1.26 -4.28 117.35 113.52 2c1u s TYR 216 Ca 0.22 -1.50 0.00 0.00 -0.52 0.00 0.00 57.07 55.27 2c1u s TYR 216 Cb -0.12 -0.82 0.00 0.00 0.38 0.00 0.00 41.96 41.40 2c1u s TYR 216 CO -0.08 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 2c1u n GLY 217 N -0.64 -1.57 0.33 5.49 0.00 0.10 -2.61 105.19 106.29 2c1u n GLY 217 Ca 0.03 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.84 2c1u n GLY 217 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2c1u h VAL 218 N 0.00 1.04 -0.39 1.61 3.04 -1.85 -2.93 116.25 116.77 2c1u h VAL 218 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2c1u h VAL 218 Cb 0.00 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2c1u h VAL 218 CO 0.00 0.10 0.00 0.59 -1.01 0.00 0.00 177.57 177.25 2c1u n ASN 219 N -4.47 3.26 -3.97 3.17 4.13 -1.26 -4.69 115.26 111.42 2c1u n ASN 219 Ca 0.06 -1.93 -0.27 0.00 1.68 0.00 0.00 54.58 54.12 2c1u n ASN 219 Cb 0.16 -0.25 -0.01 0.00 -1.54 0.00 0.00 39.78 38.13 2c1u n ASN 219 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2c1u n PHE 220 N 1.22 -1.73 0.00 3.10 3.01 -1.08 -1.66 117.46 120.32 2c1u n PHE 220 Ca 0.17 0.77 0.00 0.00 1.01 0.00 0.00 57.45 59.40 2c1u n PHE 220 Cb 0.53 -3.69 0.00 0.00 -0.01 0.00 0.00 39.48 36.31 2c1u n PHE 220 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c1u n GLY 221 N -1.84 0.87 1.63 1.37 0.00 -1.07 -1.92 105.19 104.22 2c1u n GLY 221 Ca -0.23 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2c1u n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c1u n GLY 222 N -0.67 0.77 0.00 -0.02 0.00 0.17 -4.52 105.19 100.92 2c1u n GLY 222 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2c1u n GLY 222 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c1u n GLN 223 N -2.22 1.85 -3.81 1.61 1.13 -1.26 -1.82 117.38 112.86 2c1u n GLN 223 Ca 0.00 -0.05 -0.05 0.00 -1.94 0.00 0.00 57.00 54.96 2c1u n GLN 223 Cb 0.00 -1.11 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 2c1u n GLN 223 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2c1u s ASP 224 N -2.60 -0.21 0.23 1.08 1.47 -1.26 -4.19 116.67 111.19 2c1u s ASP 224 Ca -0.00 -0.52 0.10 0.00 1.18 0.00 0.00 52.55 53.31 2c1u s ASP 224 Cb 0.07 0.61 -0.04 0.00 -0.34 0.00 0.00 42.92 43.21 2c1u s ASP 224 CO 0.40 -1.13 -0.11 -0.31 0.68 0.00 0.00 175.17 174.71 2c1u s TYR 225 N -3.56 2.53 -0.02 2.11 1.51 -1.26 -2.12 117.35 116.53 2c1u s TYR 225 Ca 0.12 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.86 2c1u s TYR 225 Cb -0.04 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2c1u s TYR 225 CO 0.05 0.60 0.12 -1.01 -1.11 0.00 0.00 175.55 174.19 2c1u s HIS 226 N -2.10 -0.02 0.00 2.71 3.76 0.90 -4.89 115.29 115.65 2c1u s HIS 226 Ca 0.28 0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 55.19 2c1u s HIS 226 Cb -0.07 -0.02 -0.23 0.00 1.11 0.00 0.00 32.58 33.37 2c1u s HIS 226 CO 0.16 -0.17 3.26 -0.35 -0.85 0.00 0.00 174.74 176.79 2c1u n PRO 227 N 2.21 1.77 -3.78 8.40 -0.04 -1.26 -0.16 135.00 142.14 2c1u n PRO 227 Ca -0.18 -0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 62.29 2c1u n PRO 227 Cb 0.57 -1.91 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 2c1u n PRO 227 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2c1u s PHE 228 N 1.15 -0.17 0.19 0.54 0.08 -1.26 -0.55 117.98 117.95 2c1u s PHE 228 Ca 0.58 0.45 -0.21 0.00 0.12 0.00 0.00 56.93 57.87 2c1u s PHE 228 Cb 0.28 -0.02 0.05 0.00 -0.57 0.00 0.00 43.02 42.76 2c1u s PHE 228 CO 0.00 -0.13 0.59 0.20 -0.10 0.00 0.00 175.22 175.78 2c1u s GLY 229 N 0.68 -0.37 0.28 4.36 0.00 -0.80 -4.32 107.32 107.15 2c1u s GLY 229 Ca -0.05 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 2c1u s GLY 229 CO -0.03 -0.02 1.18 -2.27 0.00 0.00 0.00 173.10 171.96 2c1u s LEU 230 N -2.82 4.50 0.09 0.66 2.96 -1.26 -1.65 118.68 121.17 2c1u s LEU 230 Ca 0.05 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.38 2c1u s LEU 230 Cb -0.02 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2c1u s LEU 230 CO -0.07 -0.31 -0.08 0.27 -1.32 0.00 0.00 176.35 174.85 2c1u s ILE 231 N -0.96 0.75 0.14 6.68 -4.36 0.22 -4.92 121.20 118.74 2c1u s ILE 231 Ca 0.47 -1.73 -0.28 0.00 -0.26 0.00 0.00 60.65 58.85 2c1u s ILE 231 Cb -0.35 -1.44 -0.07 0.00 1.25 0.00 0.00 42.46 41.85 2c1u s ILE 231 CO 0.44 -0.71 0.87 0.00 0.24 0.00 0.00 174.94 175.78 2c1u s ALA 232 N -2.96 3.34 0.67 2.27 0.00 -1.26 -1.24 121.76 122.58 2c1u s ALA 232 Ca 0.07 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.42 2c1u s ALA 232 Cb 0.01 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.03 2c1u s ALA 232 CO -0.02 0.12 1.01 0.15 0.00 0.00 0.00 175.76 177.02 2c1u s LYS 233 N -0.55 2.64 0.12 0.00 1.02 0.45 -4.91 119.74 118.52 2c1u s LYS 233 Ca 0.41 0.07 -0.35 0.00 0.02 0.00 0.00 55.97 56.12 2c1u s LYS 233 Cb -0.23 -2.15 -0.16 0.00 -0.52 0.00 0.00 37.83 34.77 2c1u s LYS 233 CO 0.28 -1.00 1.32 -2.30 -0.92 0.00 0.00 175.35 172.73 2c1u n PRO 234 N -2.85 1.28 -0.98 -1.68 -0.02 -1.26 -1.95 135.00 127.54 2c1u n PRO 234 Ca 0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2c1u n PRO 234 Cb 0.58 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2c1u n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c1u n GLY 235 N 2.46 0.39 0.33 -1.23 0.00 -1.26 -4.91 105.19 100.97 2c1u n GLY 235 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 2c1u n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1u h ALA 236 N 0.00 1.71 -0.05 4.61 0.00 -1.65 0.24 119.26 124.12 2c1u h ALA 236 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2c1u h ALA 236 Cb 0.27 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c1u h ALA 236 CO 0.00 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.20 2c1u n GLU 237 N -5.04 1.17 -0.14 0.00 1.02 -1.26 -3.00 120.64 113.38 2c1u n GLU 237 Ca 0.27 -0.26 0.06 0.00 -0.02 0.00 0.00 57.16 57.21 2c1u n GLU 237 Cb 0.82 -1.21 0.08 0.00 -0.02 0.00 0.00 31.44 31.11 2c1u n GLU 237 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2c1u n VAL 238 N -0.44 1.27 -5.24 2.62 0.31 0.82 -5.06 118.33 112.61 2c1u n VAL 238 Ca 0.10 -1.49 -0.31 0.00 -0.01 0.00 0.00 64.34 62.63 2c1u n VAL 238 Cb 0.10 0.09 -0.16 0.00 -0.91 0.00 0.00 33.84 32.97 2c1u n VAL 238 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2c1u s LEU 239 N -1.84 2.15 -0.12 7.52 1.43 -1.06 -5.08 118.68 121.68 2c1u s LEU 239 Ca 0.19 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.59 2c1u s LEU 239 Cb 0.16 -1.38 -0.12 0.00 0.03 0.00 0.00 46.19 44.89 2c1u s LEU 239 CO 0.02 0.31 0.78 -2.65 0.23 0.00 0.00 176.35 175.04 2c1u n PRO 240 N 2.50 0.00 0.10 1.29 -0.01 -1.26 -4.79 135.00 132.82 2c1u n PRO 240 Ca -0.16 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.38 2c1u n PRO 240 Cb 0.51 -0.91 0.27 0.00 -0.01 0.00 0.00 33.50 33.36 2c1u n PRO 240 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2c1u n ALA 241 N 1.50 0.80 -0.06 3.55 0.00 -1.26 -0.43 120.51 124.62 2c1u n ALA 241 Ca 0.15 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 2c1u n ALA 241 Cb 0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 2c1u n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1u n GLY 242 N -1.33 -1.03 3.50 0.00 0.00 -1.26 -4.56 105.19 100.52 2c1u n GLY 242 Ca -0.01 -0.31 -0.56 0.00 0.00 0.00 0.00 46.02 45.15 2c1u n GLY 242 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c1u n ASP 243 N -2.71 0.12 -4.80 1.61 2.03 0.43 -4.94 116.55 108.29 2c1u n ASP 243 Ca -0.23 1.15 -0.32 0.00 0.52 0.00 0.00 54.79 55.91 2c1u n ASP 243 Cb 1.00 -0.98 0.04 0.00 -0.72 0.00 0.00 41.12 40.46 2c1u n ASP 243 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2c1u s THR 244 N -0.11 3.68 -1.18 5.18 2.01 -1.26 -4.21 115.64 119.75 2c1u s THR 244 Ca 0.85 0.66 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2c1u s THR 244 Cb -1.14 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 68.12 2c1u s THR 244 CO 0.55 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2c1u n GLY 245 N -1.26 1.24 0.11 4.40 0.00 -1.26 -4.89 105.19 103.53 2c1u n GLY 245 Ca 0.09 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 2c1u n GLY 245 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2c1u h ARG 246 N 0.00 0.23 -5.49 1.61 3.08 -1.97 -3.45 114.38 108.40 2c1u h ARG 246 Ca -0.23 -0.33 -0.43 0.00 0.07 0.00 0.00 59.98 59.07 2c1u h ARG 246 Cb 0.73 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.74 2c1u h ARG 246 CO 0.33 1.10 -0.73 -0.06 -1.07 0.00 0.00 179.97 179.54 2c1u s PHE 247 N -2.88 1.62 0.17 3.04 0.08 -1.26 -0.41 117.98 118.35 2c1u s PHE 247 Ca -0.03 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.28 2c1u s PHE 247 Cb 0.08 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.78 2c1u s PHE 247 CO 0.86 0.30 0.42 -1.83 -0.10 0.00 0.00 175.22 174.86 2c1u s GLU 248 N -3.58 1.26 0.31 0.44 -1.05 -0.37 -4.89 118.70 110.82 2c1u s GLU 248 Ca 0.21 -0.96 -0.12 0.00 -0.15 0.00 0.00 54.97 53.95 2c1u s GLU 248 Cb -0.01 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.07 2c1u s GLU 248 CO 0.06 -0.50 0.67 0.54 0.95 0.00 0.00 175.26 176.97 2c1u s VAL 249 N -3.90 4.81 -0.00 1.83 0.11 -1.26 -0.61 120.40 121.37 2c1u s VAL 249 Ca 0.11 0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 59.75 2c1u s VAL 249 Cb 0.01 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2c1u s VAL 249 CO -0.03 -0.23 0.14 0.28 -3.33 0.00 0.00 175.10 171.93 2c1u s THR 250 N -2.02 0.07 0.15 5.04 -1.32 -0.66 -4.90 115.64 112.01 2c1u s THR 250 Ca 0.51 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 2c1u s THR 250 Cb -0.11 -0.41 -0.07 0.00 -1.51 0.00 0.00 72.50 70.41 2c1u s THR 250 CO 0.22 -0.34 1.03 -0.60 -2.21 0.00 0.00 174.62 172.72 2c1u s ARG 251 N -1.23 4.66 0.63 7.08 3.52 -1.26 -1.91 118.95 130.44 2c1u s ARG 251 Ca -0.13 1.58 -0.15 0.00 -0.13 0.00 0.00 55.73 56.90 2c1u s ARG 251 Cb -0.07 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 2c1u s ARG 251 CO 0.01 0.17 1.09 0.95 -0.81 0.00 0.00 175.30 176.72 2c1u s THR 252 N -0.21 3.48 -0.06 4.11 -4.23 0.29 -4.95 115.64 114.07 2c1u s THR 252 Ca 0.48 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 61.38 2c1u s THR 252 Cb -0.26 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 2c1u s THR 252 CO 0.32 -0.42 1.20 -0.89 -0.54 0.00 0.00 174.62 174.30 2c1u s THR 253 N -2.38 4.25 -1.59 3.99 2.01 -1.26 -2.47 115.64 118.19 2c1u s THR 253 Ca 0.66 1.58 0.00 0.00 0.31 0.00 0.00 61.69 64.23 2c1u s THR 253 Cb -0.19 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2c1u s THR 253 CO 0.39 -0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.79 2c1u n ASP 254 N 5.20 -5.18 -1.04 3.53 9.92 -1.26 -3.29 116.55 124.43 2c1u n ASP 254 Ca 0.11 0.07 -0.06 0.00 -0.53 0.00 0.00 54.79 54.38 2c1u n ASP 254 Cb 0.46 -4.26 -0.02 0.00 -0.64 0.00 0.00 41.12 36.66 2c1u n ASP 254 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2c1u n ASP 255 N -1.30 -1.70 0.10 -2.24 9.92 -1.03 -4.76 116.55 115.54 2c1u n ASP 255 Ca -0.21 0.14 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 2c1u n ASP 255 Cb 0.65 -1.78 -0.04 0.00 -0.64 0.00 0.00 41.12 39.30 2c1u n ASP 255 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2c1u h GLU 256 N 0.00 0.00 -5.81 -1.24 5.08 -1.81 -3.43 114.58 107.36 2c1u h GLU 256 Ca -0.11 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.58 2c1u h GLU 256 Cb 0.40 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 2c1u h GLU 256 CO 0.17 0.67 -0.54 -0.47 -1.00 0.00 0.00 179.01 177.84 2c1u s TYR 257 N -2.85 3.42 0.06 4.33 5.04 -1.26 -1.67 117.35 124.42 2c1u s TYR 257 Ca 0.02 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 55.03 2c1u s TYR 257 Cb 0.09 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.51 2c1u s TYR 257 CO 0.78 0.62 -0.06 0.14 -1.34 0.00 0.00 175.55 175.69 2c1u s VAL 258 N -1.04 0.53 0.04 3.14 -7.23 -0.55 -4.38 120.40 110.92 2c1u s VAL 258 Ca 0.17 -1.50 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2c1u s VAL 258 Cb -0.12 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 2c1u s VAL 258 CO 0.07 -0.66 -0.23 -0.36 -0.31 0.00 0.00 175.10 173.60 2c1u s PHE 259 N -2.58 2.03 0.14 2.82 0.40 0.77 -1.72 117.98 119.84 2c1u s PHE 259 Ca 0.00 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 2c1u s PHE 259 Cb -0.02 -1.21 -0.08 0.00 0.51 0.00 0.00 43.02 42.22 2c1u s PHE 259 CO -0.03 0.11 1.27 0.50 0.70 0.00 0.00 175.22 177.76 2c1u s ARG 260 N -1.20 4.41 -0.13 0.44 3.52 0.17 -0.07 118.95 126.09 2c1u s ARG 260 Ca 0.09 1.93 -0.29 0.00 -0.13 0.00 0.00 55.73 57.34 2c1u s ARG 260 Cb -0.09 -3.26 -0.06 0.00 -1.56 0.00 0.00 34.95 29.98 2c1u s ARG 260 CO 0.02 -0.25 1.97 0.00 -0.81 0.00 0.00 175.30 176.22 2c1u s ALA 261 N 0.55 3.16 0.26 6.12 0.00 -0.90 -4.89 121.76 126.06 2c1u s ALA 261 Ca 0.58 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 2c1u s ALA 261 Cb -0.34 -3.94 -0.12 0.00 0.00 0.00 0.00 23.12 18.73 2c1u s ALA 261 CO 0.33 -2.15 1.66 0.00 0.00 0.00 0.00 175.76 175.60 2c1u n ALA 262 N 9.40 2.75 -2.18 0.00 0.00 -1.26 0.43 120.51 129.64 2c1u n ALA 262 Ca 0.23 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.63 2c1u n ALA 262 Cb 0.44 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 2c1u n ALA 262 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2c1u s PRO 263 N 0.27 4.18 0.00 0.00 0.04 -1.26 -4.36 135.00 133.87 2c1u s PRO 263 Ca 0.69 1.95 0.29 0.00 0.04 0.00 0.00 61.00 63.97 2c1u s PRO 263 Cb -0.49 -3.90 1.28 0.00 0.04 0.00 0.00 34.50 31.42 2c1u s PRO 263 CO 0.41 -0.81 1.87 1.28 0.04 0.00 0.00 177.00 179.79 2c1u n LEU 264 N 6.98 0.88 -4.62 -3.56 4.77 -0.66 -4.84 117.00 115.95 2c1u n LEU 264 Ca 0.16 -0.25 -0.46 0.00 -0.03 0.00 0.00 56.01 55.42 2c1u n LEU 264 Cb 0.44 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2c1u n LEU 264 CO 0.60 0.15 0.82 0.54 -1.33 0.00 0.00 177.39 178.17 2c1u n ARG 265 N -0.41 1.56 -1.59 3.23 5.12 -1.20 -1.89 116.66 121.48 2c1u n ARG 265 Ca 0.19 0.56 -0.17 0.00 -1.93 0.00 0.00 57.85 56.50 2c1u n ARG 265 Cb 0.28 -2.10 -0.06 0.00 -1.16 0.00 0.00 32.46 29.41 2c1u n ARG 265 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2c1u n ASN 266 N 1.91 -4.45 -0.19 0.55 3.02 -0.66 -4.86 115.26 110.59 2c1u n ASN 266 Ca 0.13 0.38 0.12 0.00 -0.03 0.00 0.00 54.58 55.17 2c1u n ASN 266 Cb 0.29 -3.99 0.44 0.00 -0.61 0.00 0.00 39.78 35.90 2c1u n ASN 266 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2c1u h VAL 267 N 0.00 0.86 -0.13 2.41 3.04 -1.66 0.28 116.25 121.06 2c1u h VAL 267 Ca -0.35 -0.19 0.04 0.00 -1.01 0.00 0.00 66.70 65.19 2c1u h VAL 267 Cb 1.11 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 2c1u h VAL 267 CO 0.50 0.10 0.14 0.00 -1.01 0.00 0.00 177.57 177.30 2c1u h ALA 268 N 1.63 1.76 0.00 3.17 0.00 -1.85 -2.16 119.26 121.81 2c1u h ALA 268 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2c1u h ALA 268 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2c1u h ALA 268 CO -0.13 -0.21 -0.77 1.28 0.00 0.00 0.00 179.25 179.42 2c1u n LEU 269 N -3.87 0.63 -1.32 0.00 4.77 0.99 -4.61 117.00 113.58 2c1u n LEU 269 Ca 0.00 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2c1u n LEU 269 Cb 0.25 -0.16 0.14 0.00 -2.33 0.00 0.00 43.42 41.33 2c1u n LEU 269 CO 0.28 0.03 0.49 0.35 -1.33 0.00 0.00 177.39 177.21 2c1u n THR 270 N -1.91 2.52 -1.13 -5.08 -2.24 -0.81 -4.59 114.28 101.03 2c1u n THR 270 Ca 0.03 -3.35 -0.32 0.00 -2.27 0.00 0.00 64.05 58.14 2c1u n THR 270 Cb 0.41 -0.59 0.12 0.00 -2.10 0.00 0.00 70.33 68.17 2c1u n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c1u s ALA 271 N -3.39 1.94 0.98 6.98 0.00 -1.26 -4.61 121.76 122.40 2c1u s ALA 271 Ca 0.46 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 2c1u s ALA 271 Cb 0.40 -3.39 0.19 0.00 0.00 0.00 0.00 23.12 20.32 2c1u s ALA 271 CO -0.01 -2.13 1.20 -1.25 0.00 0.00 0.00 175.76 173.57 2c1u s PRO 272 N -4.50 0.53 0.31 0.00 0.04 -1.26 -4.36 135.00 125.76 2c1u s PRO 272 Ca 0.67 -0.06 0.09 0.00 0.04 0.00 0.00 61.00 61.74 2c1u s PRO 272 Cb -0.22 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2c1u s PRO 272 CO 0.53 -2.54 0.05 0.71 0.04 0.00 0.00 177.00 175.79 2c1u s TYR 273 N -3.48 2.66 0.22 0.56 2.02 0.11 -4.78 117.35 114.67 2c1u s TYR 273 Ca 0.69 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.06 2c1u s TYR 273 Cb -0.09 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2c1u s TYR 273 CO 0.53 0.49 0.00 1.19 -1.57 0.00 0.00 175.55 176.19 2c1u n PHE 274 N -1.00 -1.61 0.31 2.71 3.72 -1.26 -2.64 117.46 117.70 2c1u n PHE 274 Ca -0.05 0.85 0.19 0.00 -0.05 0.00 0.00 57.45 58.40 2c1u n PHE 274 Cb 0.61 -1.46 1.06 0.00 -0.94 0.00 0.00 39.48 38.74 2c1u n PHE 274 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2c1u h HIS 275 N -0.59 0.00 -0.00 1.38 2.07 -1.96 -0.61 115.15 115.44 2c1u h HIS 275 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 2c1u h HIS 275 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 2c1u h HIS 275 CO 0.01 0.00 -0.78 -1.13 -3.07 0.00 0.00 177.93 172.96 2c1u n SER 276 N -3.46 1.17 -3.57 3.10 3.41 -1.26 -0.97 113.62 112.04 2c1u n SER 276 Ca -0.03 -1.09 -0.22 0.00 -0.26 0.00 0.00 58.87 57.27 2c1u n SER 276 Cb 0.09 0.86 0.08 0.00 -0.26 0.00 0.00 64.21 64.98 2c1u n SER 276 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c1u n GLY 277 N 1.42 -0.50 0.00 5.00 0.00 -0.24 -4.53 105.19 106.35 2c1u n GLY 277 Ca 0.05 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.38 2c1u n GLY 277 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c1u n VAL 278 N -4.77 0.00 -3.90 1.61 0.24 -1.08 -4.37 118.33 106.06 2c1u n VAL 278 Ca -0.07 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.34 61.69 2c1u n VAL 278 Cb 0.59 0.67 -0.12 0.00 -1.47 0.00 0.00 33.84 33.51 2c1u n VAL 278 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2c1u s VAL 279 N -3.03 4.47 -0.51 3.34 1.01 -1.23 -4.94 120.40 119.51 2c1u s VAL 279 Ca 0.02 -0.13 0.22 0.00 0.00 0.00 0.00 61.98 62.09 2c1u s VAL 279 Cb 0.14 -3.06 -0.29 0.00 0.00 0.00 0.00 36.38 33.18 2c1u s VAL 279 CO 0.81 0.39 0.69 0.79 0.00 0.00 0.00 175.10 177.78 2c1u n TRP 280 N 4.33 0.00 -4.32 5.22 7.02 -1.26 0.09 117.44 128.51 2c1u n TRP 280 Ca -0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 55.98 2c1u n TRP 280 Cb 0.52 -0.25 -0.12 0.00 -2.42 0.00 0.00 31.31 29.04 2c1u n TRP 280 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2c1u s GLU 281 N -3.26 3.68 0.34 -0.99 0.41 -1.26 -4.90 118.70 112.72 2c1u s GLU 281 Ca -0.00 -0.51 0.05 0.00 -0.41 0.00 0.00 54.97 54.10 2c1u s GLU 281 Cb 0.15 -2.96 0.62 0.00 -1.78 0.00 0.00 34.13 30.16 2c1u s GLU 281 CO 0.89 0.21 1.89 1.25 -0.49 0.00 0.00 175.26 179.01 2c1u h LEU 282 N 6.82 0.49 -0.72 1.80 5.85 -1.97 -2.25 115.31 125.33 2c1u h LEU 282 Ca -0.32 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2c1u h LEU 282 Cb 1.19 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2c1u h LEU 282 CO 0.63 0.54 0.40 0.00 -0.34 0.00 0.00 178.44 179.68 2c1u h ALA 283 N 1.52 0.92 -0.55 1.25 0.00 -1.95 -0.94 119.26 119.51 2c1u h ALA 283 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2c1u h ALA 283 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2c1u h ALA 283 CO 0.01 0.42 0.22 0.93 0.00 0.00 0.00 179.25 180.83 2c1u h GLU 284 N 0.98 0.82 -0.70 0.00 4.39 -1.85 -0.65 114.58 117.56 2c1u h GLU 284 Ca 0.25 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.87 2c1u h GLU 284 Cb 0.02 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 2c1u h GLU 284 CO -0.04 0.71 0.40 0.00 -1.16 0.00 0.00 179.01 178.92 2c1u h ALA 285 N 1.07 0.95 -0.33 3.43 0.00 -1.03 -0.43 119.26 122.92 2c1u h ALA 285 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c1u h ALA 285 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2c1u h ALA 285 CO -0.02 0.09 0.20 0.28 0.00 0.00 0.00 179.25 179.80 2c1u h VAL 286 N 0.74 1.12 -0.43 0.00 2.07 -0.95 -2.11 116.25 116.68 2c1u h VAL 286 Ca 0.31 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2c1u h VAL 286 Cb 0.18 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2c1u h VAL 286 CO -0.18 0.12 0.27 0.11 0.02 0.00 0.00 177.57 177.91 2c1u h LYS 287 N 0.43 0.58 -0.10 1.57 1.57 -0.71 -2.17 116.57 117.74 2c1u h LYS 287 Ca 0.12 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2c1u h LYS 287 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2c1u h LYS 287 CO -0.02 0.40 -0.52 0.82 -0.57 0.00 0.00 179.45 179.56 2c1u h ILE 288 N 0.59 1.35 -0.01 1.86 2.04 -0.81 -2.22 117.51 120.31 2c1u h ILE 288 Ca 0.16 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.24 2c1u h ILE 288 Cb -0.04 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2c1u h ILE 288 CO -0.03 0.53 0.00 0.23 0.00 0.00 0.00 178.15 178.88 2c1u n MET 289 N -3.94 1.09 -2.93 2.37 2.81 -0.82 -4.40 117.12 111.30 2c1u n MET 289 Ca -0.02 -0.14 -0.44 0.00 -1.81 0.00 0.00 57.70 55.30 2c1u n MET 289 Cb 0.56 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.58 2c1u n MET 289 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2c1u s SER 290 N -1.90 6.22 -0.17 7.83 0.15 -0.84 -4.74 113.70 120.25 2c1u s SER 290 Ca 0.42 -1.21 -0.09 0.00 0.70 0.00 0.00 55.95 55.77 2c1u s SER 290 Cb 0.20 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 62.18 2c1u s SER 290 CO 0.33 -1.32 0.42 -0.55 1.20 0.00 0.00 173.24 173.31 2c1u s SER 291 N 3.66 -0.52 0.31 5.45 0.15 0.18 -4.86 113.70 118.07 2c1u s SER 291 Ca 0.20 0.90 0.02 0.00 0.70 0.00 0.00 55.95 57.77 2c1u s SER 291 Cb -0.18 0.79 0.57 0.00 -1.71 0.00 0.00 66.02 65.49 2c1u s SER 291 CO 0.07 -0.19 1.92 0.00 1.20 0.00 0.00 173.24 176.24 2c1u h ALA 292 N 7.14 1.55 -0.95 5.45 0.00 -1.95 -2.40 119.26 128.09 2c1u h ALA 292 Ca -0.36 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2c1u h ALA 292 Cb 1.18 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2c1u h ALA 292 CO 0.29 0.32 0.62 1.96 0.00 0.00 0.00 179.25 182.44 2c1u h GLN 293 N 0.98 1.16 0.00 0.00 4.20 -1.96 -2.10 115.11 117.39 2c1u h GLN 293 Ca 0.38 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2c1u h GLN 293 Cb 0.21 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2c1u h GLN 293 CO -0.14 0.77 -0.49 0.44 -0.67 0.00 0.00 178.83 178.74 2c1u n ILE 294 N -4.49 0.04 -0.83 2.54 -5.35 -1.08 -4.96 119.36 105.23 2c1u n ILE 294 Ca 0.12 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2c1u n ILE 294 Cb 0.09 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 2c1u n ILE 294 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2c1u n GLY 295 N 1.48 0.99 3.10 3.28 0.00 -0.79 -5.07 105.19 108.18 2c1u n GLY 295 Ca 0.05 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2c1u n GLY 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1u s THR 296 N -2.00 1.40 -0.03 2.61 -4.23 -0.95 -4.80 115.64 107.63 2c1u s THR 296 Ca 0.00 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2c1u s THR 296 Cb 0.00 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.62 2c1u s THR 296 CO 0.00 0.41 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.79 2c1u s GLU 297 N 0.36 1.02 0.02 3.99 8.01 -1.26 0.50 118.70 131.33 2c1u s GLU 297 Ca -0.11 -0.29 0.06 0.00 0.01 0.00 0.00 54.97 54.64 2c1u s GLU 297 Cb -0.14 -0.94 -0.03 0.00 -4.31 0.00 0.00 34.13 28.71 2c1u s GLU 297 CO 0.04 0.08 -0.16 -0.51 0.01 0.00 0.00 175.26 174.72 2c1u s LEU 298 N 0.33 2.69 0.84 1.80 1.43 -1.26 -4.98 118.68 119.53 2c1u s LEU 298 Ca -0.05 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 2c1u s LEU 298 Cb -0.10 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.65 2c1u s LEU 298 CO 0.01 0.27 1.10 0.42 0.23 0.00 0.00 176.35 178.38 2c1u s THR 299 N -0.90 2.84 0.29 5.49 -4.23 -1.26 -4.84 115.64 113.03 2c1u s THR 299 Ca 0.15 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 2c1u s THR 299 Cb -0.11 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.08 2c1u s THR 299 CO 0.05 -0.35 1.80 0.44 -0.54 0.00 0.00 174.62 176.01 2c1u h ASP 300 N -1.26 0.82 -0.01 3.99 3.32 -2.00 -1.18 116.42 120.10 2c1u h ASP 300 Ca -0.48 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 2c1u h ASP 300 Cb 1.28 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2c1u h ASP 300 CO 0.58 0.35 0.00 -0.61 -1.72 0.00 0.00 179.24 177.85 2c1u h GLN 301 N 0.84 0.02 -0.68 3.56 5.75 -2.00 -1.84 115.11 120.77 2c1u h GLN 301 Ca 0.54 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 59.10 2c1u h GLN 301 Cb 0.73 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 2c1u h GLN 301 CO -0.34 0.27 0.37 1.96 -2.65 0.00 0.00 178.83 178.44 2c1u h GLN 302 N -0.23 0.65 -0.84 1.69 4.20 -1.85 -0.34 115.11 118.39 2c1u h GLN 302 Ca 0.00 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2c1u h GLN 302 Cb 0.26 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2c1u h GLN 302 CO 0.00 0.43 0.54 0.00 -0.67 0.00 0.00 178.83 179.13 2c1u h ALA 303 N 1.37 1.11 -0.33 3.87 0.00 -1.06 0.79 119.26 125.00 2c1u h ALA 303 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2c1u h ALA 303 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c1u h ALA 303 CO -0.20 0.37 -0.09 1.49 0.00 0.00 0.00 179.25 180.82 2c1u h GLU 304 N 1.05 0.65 -0.43 0.00 4.81 -0.41 -1.94 114.58 118.31 2c1u h GLU 304 Ca 0.34 -0.25 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 2c1u h GLU 304 Cb 0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2c1u h GLU 304 CO -0.12 0.83 -0.30 -0.44 -0.73 0.00 0.00 179.01 178.25 2c1u h ASP 305 N 0.43 1.02 -0.47 1.04 3.32 -0.82 -2.43 116.42 118.50 2c1u h ASP 305 Ca 0.08 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 2c1u h ASP 305 Cb 0.60 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2c1u h ASP 305 CO 0.04 1.23 0.12 0.40 -1.72 0.00 0.00 179.24 179.31 2c1u h ILE 306 N 0.81 1.22 -0.48 0.35 2.04 -0.82 0.33 117.51 120.97 2c1u h ILE 306 Ca 0.09 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2c1u h ILE 306 Cb 0.89 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2c1u h ILE 306 CO 0.08 0.30 0.28 0.74 0.00 0.00 0.00 178.15 179.55 2c1u h THR 307 N 0.78 1.16 -0.30 -0.27 2.02 -1.17 -0.42 112.91 114.70 2c1u h THR 307 Ca 0.17 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2c1u h THR 307 Cb 0.29 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2c1u h THR 307 CO -0.00 0.16 -0.10 0.00 0.37 0.00 0.00 175.52 175.95 2c1u h ALA 308 N 1.12 0.42 -0.74 6.16 0.00 -0.94 -2.77 119.26 122.52 2c1u h ALA 308 Ca 0.17 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2c1u h ALA 308 Cb 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.58 2c1u h ALA 308 CO -0.03 0.27 0.12 0.35 0.00 0.00 0.00 179.25 179.96 2c1u h PHE 309 N 0.37 0.17 0.00 0.00 3.57 0.04 -2.22 116.94 118.87 2c1u h PHE 309 Ca 0.07 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2c1u h PHE 309 Cb 0.60 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2c1u h PHE 309 CO 0.05 -0.14 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.83 2c1u h LEU 310 N 0.21 0.00 -2.38 0.59 3.38 -0.78 0.45 115.31 116.78 2c1u h LEU 310 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 2c1u h LEU 310 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2c1u h LEU 310 CO -0.56 0.10 -0.03 1.23 0.09 0.00 0.00 178.44 179.26 2c1u h GLY 311 N 0.83 0.00 1.38 0.83 0.00 -1.39 -2.22 103.07 102.49 2c1u h GLY 311 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2c1u h GLY 311 CO 0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 2c1u n THR 312 N -3.65 0.05 1.63 4.70 -2.24 0.16 -2.91 114.28 112.02 2c1u n THR 312 Ca -0.03 0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 2c1u n THR 312 Cb 0.13 -0.55 0.64 0.00 -2.10 0.00 0.00 70.33 68.45 2c1u n THR 312 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2c1u n LEU 313 N -1.19 1.08 -4.65 3.22 4.77 -0.84 -1.77 117.00 117.63 2c1u n LEU 313 Ca 0.16 -0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 2c1u n LEU 313 Cb 0.18 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2c1u n LEU 313 CO 0.20 0.18 1.16 -0.89 -1.33 0.00 0.00 177.39 176.71 2c1u s THR 314 N -2.02 4.10 0.32 -5.08 2.01 -1.14 -1.66 115.64 112.17 2c1u s THR 314 Ca 0.40 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.73 2c1u s THR 314 Cb 0.21 -3.96 0.06 0.00 0.01 0.00 0.00 72.50 68.82 2c1u s THR 314 CO 0.35 -0.26 0.44 0.61 -0.69 0.00 0.00 174.62 175.08 2c1u n GLY 315 N 4.02 1.62 3.68 4.40 0.00 -1.26 -4.10 105.19 113.54 2c1u n GLY 315 Ca 0.15 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2c1u n GLY 315 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c1u s GLU 316 N -3.48 4.27 0.29 1.61 2.02 -0.65 -4.86 118.70 117.90 2c1u s GLU 316 Ca 0.32 1.85 -0.28 0.00 0.02 0.00 0.00 54.97 56.88 2c1u s GLU 316 Cb -0.02 -3.67 -0.09 0.00 0.10 0.00 0.00 34.13 30.45 2c1u s GLU 316 CO 0.21 -0.61 0.99 -0.65 0.02 0.00 0.00 175.26 175.21 2c1u s GLN 317 N 2.83 4.67 0.36 1.61 -1.52 -1.26 -4.34 119.66 122.01 2c1u s GLN 317 Ca 0.61 1.52 -0.26 0.00 -1.95 0.00 0.00 55.36 55.28 2c1u s GLN 317 Cb -0.28 -3.06 -0.12 0.00 -0.22 0.00 0.00 33.01 29.33 2c1u s GLN 317 CO 0.23 0.32 1.06 -2.30 -0.25 0.00 0.00 175.29 174.35 2c1u n PRO 318 N 1.02 1.51 -3.82 2.91 -0.02 -1.26 -4.98 135.00 130.36 2c1u n PRO 318 Ca -0.00 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 2c1u n PRO 318 Cb 0.48 -2.03 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 2c1u n PRO 318 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2c1u s VAL 319 N -1.17 3.50 -0.17 -1.45 -7.23 -1.26 -5.02 120.40 107.61 2c1u s VAL 319 Ca 0.60 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2c1u s VAL 319 Cb -0.61 -2.93 0.02 0.00 0.56 0.00 0.00 36.38 33.43 2c1u s VAL 319 CO 0.59 -0.06 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.52 2c1u s ILE 320 N 1.38 1.82 0.04 -0.62 -1.09 -1.26 -5.10 121.20 116.37 2c1u s ILE 320 Ca -0.01 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.31 2c1u s ILE 320 Cb -0.19 -1.68 -0.08 0.00 -1.58 0.00 0.00 42.46 38.93 2c1u s ILE 320 CO 0.01 0.49 1.80 -1.81 -1.23 0.00 0.00 174.94 174.20 2c1u s ASP 321 N 1.39 6.53 0.16 3.58 1.01 -1.26 -4.95 116.67 123.11 2c1u s ASP 321 Ca 0.05 2.55 -0.31 0.00 0.71 0.00 0.00 52.55 55.54 2c1u s ASP 321 Cb -0.13 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.15 2c1u s ASP 321 CO -0.12 -0.98 1.69 -2.28 0.21 0.00 0.00 175.17 173.69 2c1u s HIS 322 N 3.59 2.71 0.66 4.23 2.46 -1.26 -4.93 115.29 122.75 2c1u s HIS 322 Ca 0.80 0.34 -0.14 0.00 0.47 0.00 0.00 55.06 56.54 2c1u s HIS 322 Cb -0.41 -4.06 -0.00 0.00 -0.13 0.00 0.00 32.58 27.99 2c1u s HIS 322 CO 0.36 -4.10 1.08 -1.25 -2.47 0.00 0.00 174.74 168.36 2c1u s PRO 323 N 1.73 2.90 -0.26 2.88 0.04 -1.26 -5.01 135.00 136.01 2c1u s PRO 323 Ca 0.75 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2c1u s PRO 323 Cb -0.46 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2c1u s PRO 323 CO 0.33 -1.15 0.32 0.42 0.04 0.00 0.00 177.00 176.96 2c1u s ILE 324 N -2.58 5.22 0.31 0.56 -1.09 -1.26 -5.07 121.20 117.28 2c1u s ILE 324 Ca 0.63 0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 59.34 2c1u s ILE 324 Cb -0.17 -3.65 -0.09 0.00 -1.58 0.00 0.00 42.46 36.96 2c1u s ILE 324 CO 0.45 0.20 0.79 -0.76 -1.23 0.00 0.00 174.94 174.39 2c1u s LEU 325 N 1.85 4.17 0.32 2.97 1.43 -1.26 -5.03 118.68 123.13 2c1u s LEU 325 Ca 0.13 1.46 -0.28 0.00 -1.03 0.00 0.00 54.13 54.41 2c1u s LEU 325 Cb -0.16 -3.98 -0.13 0.00 0.03 0.00 0.00 46.19 41.95 2c1u s LEU 325 CO 0.09 -0.14 1.11 -2.65 0.23 0.00 0.00 176.35 175.00 2c1u n PRO 326 N 0.06 1.63 -2.52 1.29 -0.02 -1.26 -4.96 135.00 129.22 2c1u n PRO 326 Ca 0.02 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 2c1u n PRO 326 Cb 0.52 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2c1u n PRO 326 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c1u s VAL 327 N -1.09 3.59 0.79 -1.45 1.01 -1.26 -5.04 120.40 116.96 2c1u s VAL 327 Ca 0.58 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 64.03 2c1u s VAL 327 Cb -0.64 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 31.79 2c1u s VAL 327 CO 0.61 0.37 1.10 0.00 0.00 0.00 0.00 175.10 177.17 2c1u s ARG 328 N -1.44 2.16 0.42 2.72 1.70 -1.26 -4.74 118.95 118.51 2c1u s ARG 328 Ca 0.44 0.62 0.04 0.00 -0.47 0.00 0.00 55.73 56.36 2c1u s ARG 328 Cb -0.31 -1.93 -0.02 0.00 -0.57 0.00 0.00 34.95 32.12 2c1u s ARG 328 CO 0.39 -1.56 0.12 0.95 -1.08 0.00 0.00 175.30 174.12 2c1u s THR 329 N -3.17 0.63 0.40 4.99 -4.23 -1.26 -5.00 115.64 108.00 2c1u s THR 329 Ca 0.60 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.26 2c1u s THR 329 Cb -0.14 -2.34 0.36 0.00 1.34 0.00 0.00 72.50 71.72 2c1u s THR 329 CO 0.54 0.00 1.87 1.23 -0.54 0.00 0.00 174.62 177.72 2c1u h GLY 330 N 1.76 0.98 -2.03 3.99 0.00 -1.98 -0.92 103.07 104.86 2c1u h GLY 330 Ca -0.36 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2c1u h GLY 330 CO 0.58 0.03 0.00 -1.30 0.00 0.00 0.00 176.54 175.85 2c1u n THR 331 N -4.53 0.86 -1.66 4.70 -2.24 -1.26 -4.96 114.28 105.19 2c1u n THR 331 Ca 0.18 -0.93 -0.47 0.00 -2.27 0.00 0.00 64.05 60.56 2c1u n THR 331 Cb 0.60 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 2c1u n THR 331 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2c1u n THR 332 N 1.17 0.01 -1.59 4.28 -1.04 -0.35 -4.90 114.28 111.86 2c1u n THR 332 Ca 0.18 -0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.72 2c1u n THR 332 Cb 0.53 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.58 2c1u n THR 332 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2c1u n PRO 333 N 3.34 1.28 -2.65 -2.82 -0.02 -1.26 -4.92 135.00 127.95 2c1u n PRO 333 Ca 0.17 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2c1u n PRO 333 Cb 0.27 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2c1u n PRO 333 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c1u s LEU 334 N 0.59 4.43 0.51 2.45 1.43 -1.26 -5.02 118.68 121.81 2c1u s LEU 334 Ca 0.66 2.01 -0.23 0.00 -1.03 0.00 0.00 54.13 55.54 2c1u s LEU 334 Cb -0.77 -3.85 -0.06 0.00 0.03 0.00 0.00 46.19 41.54 2c1u s LEU 334 CO 0.56 -0.11 1.37 -2.16 0.23 0.00 0.00 176.35 176.24 2c1u s PRO 335 N -1.76 3.38 -0.07 1.29 0.04 -1.26 -5.00 135.00 131.60 2c1u s PRO 335 Ca 0.48 2.26 -0.20 0.00 0.04 0.00 0.00 61.00 63.58 2c1u s PRO 335 Cb -0.24 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 2c1u s PRO 335 CO 0.31 -1.01 0.58 0.95 0.04 0.00 0.00 177.00 177.86 2c1u s THR 336 N -1.28 5.08 0.11 1.26 -4.23 -0.05 -4.98 115.64 111.54 2c1u s THR 336 Ca 0.67 1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 62.19 2c1u s THR 336 Cb -0.41 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 2c1u s THR 336 CO 0.50 0.33 1.60 -0.65 -0.54 0.00 0.00 174.62 175.85 2c1u h PRO 337 N 6.46 0.53 0.00 3.99 0.11 -1.89 -3.37 132.00 137.83 2c1u h PRO 337 Ca -0.42 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2c1u h PRO 337 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2c1u h PRO 337 CO 0.74 0.60 0.00 -1.33 -0.21 0.00 0.00 178.00 177.80