#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2g s LYS 2 N 0.00 3.08 -0.09 2.12 1.02 -1.26 -2.11 119.74 122.50 1u2g s LYS 2 Ca 0.00 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.52 1u2g s LYS 2 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1u2g s LYS 2 CO 0.00 0.55 -0.20 -1.50 -0.92 0.00 0.00 175.35 173.28 1u2g s ILE 3 N -0.48 2.44 0.08 2.17 2.07 -0.61 -1.84 121.20 125.02 1u2g s ILE 3 Ca 0.08 -0.91 0.07 0.00 -1.41 0.00 0.00 60.65 58.48 1u2g s ILE 3 Cb -0.12 -1.95 -0.03 0.00 0.13 0.00 0.00 42.46 40.49 1u2g s ILE 3 CO 0.02 0.56 -0.18 0.00 -1.91 0.00 0.00 174.94 173.43 1u2g s ALA 4 N 0.04 1.56 -0.19 1.50 0.00 -0.76 -1.13 121.76 122.80 1u2g s ALA 4 Ca -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1u2g s ALA 4 Cb -0.15 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1u2g s ALA 4 CO 0.05 0.30 0.03 0.42 0.00 0.00 0.00 175.76 176.56 1u2g s ILE 5 N -1.14 0.50 0.69 0.00 1.09 -0.40 -1.61 121.20 120.33 1u2g s ILE 5 Ca 0.04 -0.51 -0.07 0.00 -1.10 0.00 0.00 60.65 59.01 1u2g s ILE 5 Cb -0.10 -0.99 0.05 0.00 -1.06 0.00 0.00 42.46 40.37 1u2g s ILE 5 CO 0.03 -0.18 1.01 -2.16 -0.10 0.00 0.00 174.94 173.54 1u2g s PRO 6 N 1.87 2.32 0.41 2.79 0.04 -1.26 -1.48 135.00 139.69 1u2g s PRO 6 Ca -0.00 -0.17 -0.24 0.00 0.04 0.00 0.00 61.00 60.62 1u2g s PRO 6 Cb -0.17 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1u2g s PRO 6 CO -0.08 -1.17 1.09 0.21 0.04 0.00 0.00 177.00 177.10 1u2g s LYS 7 N -5.23 4.08 0.02 4.56 2.20 -1.26 -4.79 119.74 119.32 1u2g s LYS 7 Ca 0.59 1.62 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 1u2g s LYS 7 Cb -0.11 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 1u2g s LYS 7 CO 0.45 -0.24 1.19 -1.21 -0.36 0.00 0.00 175.35 175.18 1u2g s GLU 8 N -2.48 4.41 -0.01 4.03 0.41 -1.26 -4.94 118.70 118.86 1u2g s GLU 8 Ca 0.58 1.72 0.17 0.00 -0.41 0.00 0.00 54.97 57.03 1u2g s GLU 8 Cb -0.25 -3.43 -0.23 0.00 -1.78 0.00 0.00 34.13 28.45 1u2g s GLU 8 CO 0.31 -0.31 0.52 0.54 -0.49 0.00 0.00 175.26 175.83 1u2g n ARG 9 N 4.35 0.95 -2.03 1.61 1.74 -1.26 -4.88 116.66 117.15 1u2g n ARG 9 Ca 0.09 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 1u2g n ARG 9 Cb 0.47 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1u2g n ARG 9 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1u2g s ARG 10 N -2.92 4.28 0.06 5.56 0.52 -1.26 -4.87 118.95 120.32 1u2g s ARG 10 Ca -0.01 2.31 -0.36 0.00 -0.52 0.00 0.00 55.73 57.16 1u2g s ARG 10 Cb 0.12 -3.06 -0.15 0.00 0.52 0.00 0.00 34.95 32.38 1u2g s ARG 10 CO 0.70 -0.31 1.52 -2.30 0.02 0.00 0.00 175.30 174.92 1u2g n PRO 11 N 1.08 1.62 -0.72 3.54 -0.02 -1.26 -1.82 135.00 137.42 1u2g n PRO 11 Ca 0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1u2g n PRO 11 Cb 0.41 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1u2g n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u2g n GLY 12 N 3.19 1.21 3.56 -1.23 0.00 -1.26 -5.01 105.19 105.65 1u2g n GLY 12 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1u2g n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u2g s GLU 13 N -0.13 3.51 0.00 1.61 2.56 -0.76 -4.88 118.70 120.61 1u2g s GLU 13 Ca 0.00 0.09 0.15 0.00 0.00 0.00 0.00 54.97 55.21 1u2g s GLU 13 Cb 0.00 -3.92 0.07 0.00 2.00 0.00 0.00 34.13 32.28 1u2g s GLU 13 CO 0.00 -1.16 0.91 -0.25 -0.56 0.00 0.00 175.26 174.19 1u2g n ASP 14 N 6.97 1.96 -4.89 -1.70 8.00 -1.26 -4.76 116.55 120.87 1u2g n ASP 14 Ca 0.05 -1.48 -0.29 0.00 0.71 0.00 0.00 54.79 53.77 1u2g n ASP 14 Cb 0.48 0.19 0.08 0.00 -0.02 0.00 0.00 41.12 41.85 1u2g n ASP 14 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u2g s ARG 15 N -1.46 2.21 -0.07 -1.24 0.52 -1.26 -2.87 118.95 114.79 1u2g s ARG 15 Ca 0.15 0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 55.49 1u2g s ARG 15 Cb 0.12 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.65 1u2g s ARG 15 CO 0.26 -1.45 0.29 0.54 0.02 0.00 0.00 175.30 174.96 1u2g s VAL 16 N -3.48 0.03 -0.37 3.52 0.11 -1.26 -4.49 120.40 114.46 1u2g s VAL 16 Ca 0.61 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.39 1u2g s VAL 16 Cb -0.11 -0.49 0.10 0.00 -1.53 0.00 0.00 36.38 34.34 1u2g s VAL 16 CO 0.50 -0.13 2.54 0.00 -3.33 0.00 0.00 175.10 174.68 1u2g n ALA 17 N 2.18 5.92 -3.46 1.54 0.00 -1.26 -4.60 120.51 120.82 1u2g n ALA 17 Ca -0.17 -2.40 -0.13 0.00 0.00 0.00 0.00 53.44 50.74 1u2g n ALA 17 Cb 0.57 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1u2g n ALA 17 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1u2g s ILE 18 N -2.01 0.00 0.09 0.00 1.10 -1.26 -4.69 121.20 114.42 1u2g s ILE 18 Ca 0.48 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.51 1u2g s ILE 18 Cb 0.32 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.94 1u2g s ILE 18 CO -0.12 0.00 0.25 -0.94 -2.11 0.00 0.00 174.94 172.02 1u2g s SER 19 N -2.31 0.00 0.24 4.50 1.04 -1.26 -4.52 113.70 111.40 1u2g s SER 19 Ca -0.01 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 1u2g s SER 19 Cb -0.01 0.37 0.46 0.00 0.10 0.00 0.00 66.02 66.94 1u2g s SER 19 CO -0.07 -0.72 1.71 -0.65 0.98 0.00 0.00 173.24 174.49 1u2g h PRO 20 N 2.80 0.37 -0.30 4.02 0.11 -1.93 -1.07 132.00 135.98 1u2g h PRO 20 Ca -0.33 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.77 1u2g h PRO 20 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1u2g h PRO 20 CO 0.52 0.24 0.15 1.49 -0.21 0.00 0.00 178.00 180.19 1u2g h GLU 21 N 0.38 0.30 -0.14 1.05 4.81 -1.96 -2.63 114.58 116.39 1u2g h GLU 21 Ca 0.41 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1u2g h GLU 21 Cb 0.66 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1u2g h GLU 21 CO -0.44 0.20 -0.35 0.28 -0.73 0.00 0.00 179.01 177.97 1u2g h VAL 22 N 0.31 1.29 -0.12 0.32 2.07 -1.80 -2.83 116.25 115.48 1u2g h VAL 22 Ca 0.13 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1u2g h VAL 22 Cb 0.05 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1u2g h VAL 22 CO -0.09 0.42 0.05 0.58 0.02 0.00 0.00 177.57 178.55 1u2g h VAL 23 N 0.24 0.98 -0.57 2.57 2.07 -0.97 -1.50 116.25 119.07 1u2g h VAL 23 Ca 0.03 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1u2g h VAL 23 Cb 0.74 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 1u2g h VAL 23 CO 0.06 0.02 0.15 0.11 0.02 0.00 0.00 177.57 177.93 1u2g h LYS 24 N 0.11 0.29 -0.76 1.57 1.57 -1.24 -0.26 116.57 117.85 1u2g h LYS 24 Ca 0.05 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1u2g h LYS 24 Cb 0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1u2g h LYS 24 CO -0.05 0.19 0.28 0.87 -0.57 0.00 0.00 179.45 180.18 1u2g h LYS 25 N 0.30 1.16 -0.57 3.15 1.79 -1.32 -2.18 116.57 118.90 1u2g h LYS 25 Ca 0.29 -0.22 -0.11 0.00 -2.18 0.00 0.00 60.65 58.43 1u2g h LYS 25 Cb 0.41 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1u2g h LYS 25 CO -0.35 0.96 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.83 1u2g h LEU 26 N 1.12 1.05 -0.83 2.94 3.38 -0.38 -2.13 115.31 120.46 1u2g h LEU 26 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1u2g h LEU 26 Cb 0.25 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1u2g h LEU 26 CO -0.02 1.14 0.48 0.58 0.09 0.00 0.00 178.44 180.71 1u2g h VAL 27 N 0.94 1.24 0.00 1.22 2.07 -0.95 -1.81 116.25 118.97 1u2g h VAL 27 Ca 0.15 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1u2g h VAL 27 Cb 0.65 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1u2g h VAL 27 CO 0.04 0.26 -0.20 1.23 0.02 0.00 0.00 177.57 178.92 1u2g h GLY 28 N 1.15 0.00 2.00 2.17 0.00 -1.14 -1.71 103.07 105.54 1u2g h GLY 28 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1u2g h GLY 28 CO -0.05 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.90 1u2g h LEU 29 N 0.00 0.00 0.00 3.11 3.38 -0.86 -3.47 115.31 117.46 1u2g h LEU 29 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u2g h LEU 29 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u2g h LEU 29 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1u2g n GLY 30 N 0.92 1.78 3.72 0.83 0.00 -0.64 -4.94 105.19 106.86 1u2g n GLY 30 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1u2g n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2g s PHE 31 N -2.00 3.21 -0.39 1.61 0.40 -0.73 -4.71 117.98 115.37 1u2g s PHE 31 Ca 0.00 0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 56.29 1u2g s PHE 31 Cb 0.00 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1u2g s PHE 31 CO 0.00 0.51 0.78 -1.21 0.70 0.00 0.00 175.22 176.00 1u2g s GLU 32 N -1.31 3.65 -0.27 0.44 2.02 -0.90 -4.18 118.70 118.16 1u2g s GLU 32 Ca 0.18 0.19 -0.15 0.00 0.02 0.00 0.00 54.97 55.20 1u2g s GLU 32 Cb -0.12 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.23 1u2g s GLU 32 CO 0.08 -0.92 0.40 0.08 0.02 0.00 0.00 175.26 174.91 1u2g s VAL 33 N 3.15 5.16 -0.21 2.63 1.01 -1.26 -1.57 120.40 129.30 1u2g s VAL 33 Ca 0.31 0.61 -0.00 0.00 0.00 0.00 0.00 61.98 62.89 1u2g s VAL 33 Cb -0.13 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1u2g s VAL 33 CO 0.19 0.14 -0.13 -0.63 0.00 0.00 0.00 175.10 174.66 1u2g s ILE 34 N 2.11 2.45 -0.04 2.22 1.01 -0.28 -0.59 121.20 128.08 1u2g s ILE 34 Ca 0.16 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1u2g s ILE 34 Cb -0.16 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1u2g s ILE 34 CO 0.10 0.37 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 1u2g s VAL 35 N 1.30 3.81 0.26 2.92 1.01 -0.57 -1.27 120.40 127.85 1u2g s VAL 35 Ca 0.02 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1u2g s VAL 35 Cb -0.15 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 1u2g s VAL 35 CO -0.09 0.52 1.23 -0.70 0.00 0.00 0.00 175.10 176.07 1u2g s GLU 36 N -1.06 4.46 0.13 2.72 2.12 -0.55 -1.45 118.70 125.07 1u2g s GLU 36 Ca 0.14 2.01 -0.35 0.00 0.36 0.00 0.00 54.97 57.13 1u2g s GLU 36 Cb -0.11 -3.16 -0.16 0.00 0.26 0.00 0.00 34.13 30.96 1u2g s GLU 36 CO 0.04 -0.08 1.39 0.94 -0.54 0.00 0.00 175.26 177.01 1u2g n GLN 37 N 1.70 1.48 -1.05 4.30 7.27 0.69 -2.06 117.38 129.72 1u2g n GLN 37 Ca 0.02 0.53 -0.02 0.00 0.07 0.00 0.00 57.00 57.61 1u2g n GLN 37 Cb 0.43 -2.20 -0.01 0.00 2.41 0.00 0.00 30.24 30.88 1u2g n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u2g n GLY 38 N 2.70 0.46 0.20 1.69 0.00 -1.26 -4.90 105.19 104.08 1u2g n GLY 38 Ca 0.17 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1u2g n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g h ALA 39 N 0.00 1.11 -0.68 4.61 0.00 -1.75 -3.12 119.26 119.44 1u2g h ALA 39 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u2g h ALA 39 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u2g h ALA 39 CO 0.05 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1u2g n GLY 40 N -0.05 2.24 0.17 0.00 0.00 -1.25 -4.58 105.19 101.71 1u2g n GLY 40 Ca -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1u2g n GLY 40 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u2g h VAL 41 N 3.99 0.97 0.00 1.61 2.07 -1.64 0.37 116.25 123.63 1u2g h VAL 41 Ca 0.00 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1u2g h VAL 41 Cb 0.97 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1u2g h VAL 41 CO 0.02 0.07 -0.21 1.23 0.02 0.00 0.00 177.57 178.71 1u2g h GLY 42 N 0.39 0.00 -2.54 2.17 0.00 -1.81 -2.44 103.07 98.83 1u2g h GLY 42 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1u2g h GLY 42 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.42 1u2g n ALA 43 N -2.30 2.39 -2.83 3.60 0.00 -0.82 -4.37 120.51 116.18 1u2g n ALA 43 Ca -0.01 -1.20 -0.21 0.00 0.00 0.00 0.00 53.44 52.02 1u2g n ALA 43 Cb 0.33 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.86 1u2g n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u2g n SER 44 N 1.55 -5.72 -4.30 0.00 7.64 -0.26 -4.33 113.62 108.20 1u2g n SER 44 Ca 0.23 -0.19 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 1u2g n SER 44 Cb 0.59 -4.68 -0.13 0.00 -1.01 0.00 0.00 64.21 58.99 1u2g n SER 44 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1u2g s ILE 45 N -3.08 3.74 0.55 0.44 1.01 0.12 -5.01 121.20 118.98 1u2g s ILE 45 Ca 0.20 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1u2g s ILE 45 Cb -0.09 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1u2g s ILE 45 CO 0.25 -0.01 0.93 0.42 0.00 0.00 0.00 174.94 176.53 1u2g s THR 46 N 1.44 4.78 0.20 2.92 -4.23 -1.26 -3.81 115.64 115.67 1u2g s THR 46 Ca 0.00 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 1u2g s THR 46 Cb -0.18 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 69.93 1u2g s THR 46 CO 0.02 -0.99 1.87 0.44 -0.54 0.00 0.00 174.62 175.42 1u2g h ASP 47 N 0.02 0.79 -0.81 3.99 3.32 -1.97 -2.68 116.42 119.08 1u2g h ASP 47 Ca -0.45 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.62 1u2g h ASP 47 Cb 1.19 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 1u2g h ASP 47 CO 0.62 0.58 0.51 0.44 -1.72 0.00 0.00 179.24 179.67 1u2g h ASP 48 N 0.94 0.84 -0.25 6.45 3.32 -1.99 0.39 116.42 126.12 1u2g h ASP 48 Ca 0.25 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 1u2g h ASP 48 Cb -0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1u2g h ASP 48 CO -0.05 0.56 -0.38 0.00 -1.72 0.00 0.00 179.24 177.65 1u2g h ALA 49 N 1.36 0.70 -0.49 3.45 0.00 -1.93 -0.12 119.26 122.22 1u2g h ALA 49 Ca 0.33 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1u2g h ALA 49 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u2g h ALA 49 CO -0.13 0.66 0.25 -0.07 0.00 0.00 0.00 179.25 179.96 1u2g h LEU 50 N 0.65 0.63 -0.40 0.00 4.07 -1.12 -2.36 115.31 116.78 1u2g h LEU 50 Ca 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1u2g h LEU 50 Cb 0.94 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 1u2g h LEU 50 CO 0.09 0.56 0.22 0.74 -1.08 0.00 0.00 178.44 178.97 1u2g h THR 51 N 0.65 1.15 -0.18 0.22 2.02 -0.73 -2.00 112.91 114.04 1u2g h THR 51 Ca 0.17 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1u2g h THR 51 Cb 0.09 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1u2g h THR 51 CO -0.02 0.15 0.02 0.00 0.37 0.00 0.00 175.52 176.04 1u2g h ALA 52 N 1.08 1.71 0.00 6.16 0.00 -0.95 -1.15 119.26 126.11 1u2g h ALA 52 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u2g h ALA 52 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u2g h ALA 52 CO -0.02 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1u2g n ALA 53 N -2.50 2.01 0.00 0.00 0.00 -0.89 -4.89 120.51 114.24 1u2g n ALA 53 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1u2g n ALA 53 Cb 0.16 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1u2g n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2g n GLY 54 N 0.77 1.77 3.92 0.00 0.00 -0.44 -3.69 105.19 107.52 1u2g n GLY 54 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1u2g n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 55 N -2.00 3.85 -0.03 4.61 0.00 -0.78 -4.52 121.76 122.89 1u2g s ALA 55 Ca 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 1u2g s ALA 55 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1u2g s ALA 55 CO 0.00 0.37 0.12 0.99 0.00 0.00 0.00 175.76 177.24 1u2g s THR 56 N -1.90 5.05 -0.20 0.00 2.01 0.24 -4.25 115.64 116.58 1u2g s THR 56 Ca 0.34 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 1u2g s THR 56 Cb -0.10 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1u2g s THR 56 CO 0.28 0.41 0.11 -0.63 -0.69 0.00 0.00 174.62 174.10 1u2g s ILE 57 N -1.18 5.19 -0.02 1.82 -1.09 -1.26 -1.51 121.20 123.15 1u2g s ILE 57 Ca 0.22 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1u2g s ILE 57 Cb -0.12 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1u2g s ILE 57 CO 0.13 0.43 0.01 0.00 -1.23 0.00 0.00 174.94 174.27 1u2g s ALA 58 N 0.52 3.30 0.26 9.38 0.00 -0.53 -4.92 121.76 129.78 1u2g s ALA 58 Ca 0.06 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1u2g s ALA 58 Cb -0.12 -1.40 0.33 0.00 0.00 0.00 0.00 23.12 21.94 1u2g s ALA 58 CO -0.00 0.63 1.61 0.66 0.00 0.00 0.00 175.76 178.66 1u2g h SER 59 N 4.54 0.18 -4.33 0.00 4.64 -1.94 0.20 113.55 116.84 1u2g h SER 59 Ca -0.49 -0.10 -0.37 0.00 -0.47 0.00 0.00 61.79 60.36 1u2g h SER 59 Cb 1.18 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.08 1u2g h SER 59 CO 0.57 0.71 -0.61 0.42 -0.87 0.00 0.00 176.83 177.05 1u2g s THR 60 N -3.80 0.63 0.11 2.95 -4.23 -1.26 -4.63 115.64 105.40 1u2g s THR 60 Ca -0.03 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 1u2g s THR 60 Cb 0.12 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1u2g s THR 60 CO 0.78 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 176.35 1u2g h ALA 61 N 2.33 0.48 -0.73 3.99 0.00 -1.97 -2.25 119.26 121.12 1u2g h ALA 61 Ca -0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1u2g h ALA 61 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1u2g h ALA 61 CO 0.61 0.38 0.37 0.00 0.00 0.00 0.00 179.25 180.61 1u2g h ALA 62 N 0.79 0.93 -0.11 0.00 0.00 -1.97 -2.38 119.26 116.51 1u2g h ALA 62 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1u2g h ALA 62 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u2g h ALA 62 CO 0.05 0.48 -0.38 0.37 0.00 0.00 0.00 179.25 179.76 1u2g h GLN 63 N 1.01 0.24 -0.13 0.00 4.15 -1.94 -1.50 115.11 116.94 1u2g h GLN 63 Ca 0.25 -0.11 -0.16 0.00 0.77 0.00 0.00 58.65 59.41 1u2g h GLN 63 Cb 0.09 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1u2g h GLN 63 CO -0.04 0.59 -0.60 0.00 -1.93 0.00 0.00 178.83 176.85 1u2g h ALA 64 N 1.41 0.72 0.00 3.38 0.00 -1.20 -3.32 119.26 120.25 1u2g h ALA 64 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1u2g h ALA 64 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u2g h ALA 64 CO 0.06 0.71 -0.68 1.28 0.00 0.00 0.00 179.25 180.62 1u2g n LEU 65 N -3.91 0.65 -0.10 0.00 4.32 -0.92 -4.45 117.00 112.59 1u2g n LEU 65 Ca -0.03 -0.13 -0.07 0.00 -0.02 0.00 0.00 56.01 55.76 1u2g n LEU 65 Cb 0.63 -0.17 0.01 0.00 -1.62 0.00 0.00 43.42 42.27 1u2g n LEU 65 CO 0.46 0.15 0.95 0.77 -1.22 0.00 0.00 177.39 178.50 1u2g h SER 66 N 0.00 0.17 -0.34 -1.43 4.64 -1.37 -2.96 113.55 112.26 1u2g h SER 66 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u2g h SER 66 Cb 0.52 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1u2g h SER 66 CO 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1u2g n GLN 67 N -5.00 2.37 -2.55 4.77 6.02 -1.26 -4.60 117.38 117.14 1u2g n GLN 67 Ca 0.01 -1.99 -0.43 0.00 -0.01 0.00 0.00 57.00 54.58 1u2g n GLN 67 Cb 0.11 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 1u2g n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u2g s ALA 68 N -1.05 3.62 -2.61 -1.58 0.00 -1.12 -4.61 121.76 114.42 1u2g s ALA 68 Ca 0.26 0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.73 1u2g s ALA 68 Cb 0.14 -3.61 0.76 0.00 0.00 0.00 0.00 23.12 20.41 1u2g s ALA 68 CO 0.19 -1.22 1.58 -0.40 0.00 0.00 0.00 175.76 175.91 1u2g n ASP 69 N 6.63 2.01 -3.78 0.00 3.85 -0.77 -4.54 116.55 119.94 1u2g n ASP 69 Ca 0.13 -1.68 -0.13 0.00 -0.71 0.00 0.00 54.79 52.41 1u2g n ASP 69 Cb 0.46 -0.02 -0.11 0.00 -1.35 0.00 0.00 41.12 40.09 1u2g n ASP 69 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1u2g s VAL 70 N -1.96 0.00 -0.04 2.12 0.11 -1.01 -2.40 120.40 117.22 1u2g s VAL 70 Ca 0.35 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1u2g s VAL 70 Cb 0.20 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1u2g s VAL 70 CO 0.32 -0.00 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.23 1u2g s VAL 71 N 0.12 1.37 -0.14 2.04 1.01 0.11 -1.82 120.40 123.09 1u2g s VAL 71 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1u2g s VAL 71 Cb -0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1u2g s VAL 71 CO 0.00 0.40 -0.12 0.26 0.00 0.00 0.00 175.10 175.64 1u2g s TRP 72 N 0.04 2.84 0.11 5.22 0.52 -0.63 -1.09 118.94 125.95 1u2g s TRP 72 Ca -0.04 -0.67 0.01 0.00 0.02 0.00 0.00 56.10 55.42 1u2g s TRP 72 Cb -0.11 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1u2g s TRP 72 CO 0.02 -0.25 -0.03 0.15 0.02 0.00 0.00 176.95 176.86 1u2g s LYS 73 N 0.48 0.88 0.00 4.98 1.02 -0.91 -4.20 119.74 122.00 1u2g s LYS 73 Ca -0.08 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.53 1u2g s LYS 73 Cb -0.16 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.03 1u2g s LYS 73 CO 0.04 -0.08 0.00 0.28 -0.92 0.00 0.00 175.35 174.67 1u2g n VAL 74 N -0.08 0.00 -2.50 3.17 0.31 -1.26 -4.12 118.33 113.84 1u2g n VAL 74 Ca -0.10 0.06 -0.26 0.00 -0.01 0.00 0.00 64.34 64.02 1u2g n VAL 74 Cb 0.62 -0.28 0.02 0.00 -0.91 0.00 0.00 33.84 33.29 1u2g n VAL 74 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1u2g s GLN 75 N -0.12 3.05 0.69 5.55 -0.21 -1.26 -0.61 119.66 126.75 1u2g s GLN 75 Ca 0.00 -0.03 -0.16 0.00 0.02 0.00 0.00 55.36 55.19 1u2g s GLN 75 Cb 0.00 -2.32 0.02 0.00 1.00 0.00 0.00 33.01 31.70 1u2g s GLN 75 CO 0.00 -0.56 1.22 -0.98 -2.12 0.00 0.00 175.29 172.85 1u2g s ARG 76 N -4.90 2.37 0.31 2.91 1.70 -0.91 -4.78 118.95 115.66 1u2g s ARG 76 Ca 0.52 1.81 -0.29 0.00 -0.47 0.00 0.00 55.73 57.30 1u2g s ARG 76 Cb -0.10 -1.86 -0.11 0.00 -0.57 0.00 0.00 34.95 32.31 1u2g s ARG 76 CO 0.44 -1.67 1.54 -2.14 -1.08 0.00 0.00 175.30 172.39 1u2g s PRO 77 N -3.73 4.14 0.37 3.89 0.02 -1.26 -4.99 135.00 133.43 1u2g s PRO 77 Ca 0.76 2.53 -0.26 0.00 0.02 0.00 0.00 61.00 64.05 1u2g s PRO 77 Cb -0.30 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.11 1u2g s PRO 77 CO 0.42 -0.56 1.14 -1.64 -0.33 0.00 0.00 177.00 176.03 1u2g s MET 78 N -1.00 4.24 0.47 5.54 -1.94 -1.26 -4.86 119.30 120.49 1u2g s MET 78 Ca 0.59 1.80 0.05 0.00 -1.71 0.00 0.00 55.69 56.42 1u2g s MET 78 Cb -0.46 -2.81 0.02 0.00 2.01 0.00 0.00 34.83 33.59 1u2g s MET 78 CO 0.52 -0.15 0.65 0.95 -0.01 0.00 0.00 175.02 176.99 1u2g s THR 79 N -1.38 2.87 0.34 2.05 -4.23 -1.24 -0.96 115.64 113.10 1u2g s THR 79 Ca 0.53 -0.86 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 1u2g s THR 79 Cb -0.30 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.83 1u2g s THR 79 CO 0.38 -0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.39 1u2g h ALA 80 N 0.41 1.67 -0.34 3.99 0.00 -1.91 -1.19 119.26 121.89 1u2g h ALA 80 Ca -0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1u2g h ALA 80 Cb 1.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1u2g h ALA 80 CO 0.48 0.19 0.15 1.49 0.00 0.00 0.00 179.25 181.56 1u2g h GLU 81 N 0.82 0.47 0.00 0.00 4.22 -1.94 -2.79 114.58 115.36 1u2g h GLU 81 Ca 0.35 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1u2g h GLU 81 Cb 0.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1u2g h GLU 81 CO -0.13 0.38 -0.19 0.39 -2.18 0.00 0.00 179.01 177.28 1u2g n GLU 82 N -4.42 0.03 0.00 1.92 1.02 -0.47 -4.95 120.64 113.78 1u2g n GLU 82 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1u2g n GLU 82 Cb 0.12 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1u2g n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u2g n GLY 83 N 1.48 3.96 2.77 0.62 0.00 -1.05 -4.94 105.19 108.03 1u2g n GLY 83 Ca 0.06 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 1u2g n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u2g s THR 84 N 0.00 0.15 -0.93 2.61 -4.23 -1.21 -4.93 115.64 107.11 1u2g s THR 84 Ca 0.00 0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 1u2g s THR 84 Cb 0.00 -0.30 0.09 0.00 1.34 0.00 0.00 72.50 73.63 1u2g s THR 84 CO 0.00 0.18 1.26 -0.62 -0.54 0.00 0.00 174.62 174.89 1u2g s ASP 85 N 1.49 6.51 0.19 3.99 -1.08 -1.25 -3.68 116.67 122.84 1u2g s ASP 85 Ca -0.03 -1.62 0.10 0.00 -0.52 0.00 0.00 52.55 50.47 1u2g s ASP 85 Cb -0.13 -2.48 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 1u2g s ASP 85 CO -0.03 -1.32 1.39 -0.33 0.52 0.00 0.00 175.17 175.39 1u2g h GLU 86 N 9.36 0.00 -0.83 4.34 5.08 -1.35 -3.21 114.58 127.97 1u2g h GLU 86 Ca 0.11 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1u2g h GLU 86 Cb 1.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 1u2g h GLU 86 CO 1.26 0.81 0.54 0.28 -1.00 0.00 0.00 179.01 180.90 1u2g h VAL 87 N 0.00 1.00 0.00 3.13 2.07 -1.87 -1.40 116.25 119.18 1u2g h VAL 87 Ca -0.01 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1u2g h VAL 87 Cb 1.55 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1u2g h VAL 87 CO 0.11 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 177.60 1u2g h ALA 88 N 1.56 1.31 -0.01 1.67 0.00 -1.90 -2.82 119.26 119.08 1u2g h ALA 88 Ca 0.37 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1u2g h ALA 88 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1u2g h ALA 88 CO -0.14 0.31 -0.65 -0.07 0.00 0.00 0.00 179.25 178.70 1u2g h LEU 89 N 0.00 0.05 -9.63 0.00 3.38 -1.36 -3.44 115.31 104.30 1u2g h LEU 89 Ca -0.00 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 1u2g h LEU 89 Cb 0.54 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.30 1u2g h LEU 89 CO 0.03 0.69 0.68 -0.63 0.09 0.00 0.00 178.44 179.30 1u2g s ILE 90 N -3.56 3.21 0.47 1.22 1.01 -1.07 -4.33 121.20 118.16 1u2g s ILE 90 Ca -0.02 0.95 -0.24 0.00 0.00 0.00 0.00 60.65 61.34 1u2g s ILE 90 Cb 0.12 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 1u2g s ILE 90 CO 0.77 0.12 1.30 -0.75 0.00 0.00 0.00 174.94 176.38 1u2g s LYS 91 N 0.32 3.63 0.29 2.79 2.20 -1.25 -4.96 119.74 122.77 1u2g s LYS 91 Ca 0.60 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 58.03 1u2g s LYS 91 Cb -0.37 -2.51 -0.11 0.00 -1.51 0.00 0.00 37.83 33.34 1u2g s LYS 91 CO 0.36 -0.76 1.48 -1.21 -0.36 0.00 0.00 175.35 174.86 1u2g s GLU 92 N -2.58 4.21 0.00 4.03 2.02 -1.26 -2.78 118.70 122.33 1u2g s GLU 92 Ca 0.63 2.42 0.00 0.00 0.02 0.00 0.00 54.97 58.05 1u2g s GLU 92 Cb -0.37 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1u2g s GLU 92 CO 0.46 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1u2g n GLY 93 N 1.78 2.85 3.63 -1.39 0.00 -1.11 -5.00 105.19 105.95 1u2g n GLY 93 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1u2g n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 94 N -2.18 0.86 -0.14 4.61 0.00 -1.12 -4.52 121.76 119.27 1u2g s ALA 94 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1u2g s ALA 94 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1u2g s ALA 94 CO 0.00 -2.96 -0.00 0.14 0.00 0.00 0.00 175.76 172.94 1u2g s VAL 95 N -2.70 4.24 -0.16 0.00 -7.23 -1.01 -1.63 120.40 111.91 1u2g s VAL 95 Ca 0.66 -0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 60.56 1u2g s VAL 95 Cb -0.22 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 1u2g s VAL 95 CO 0.60 0.53 -0.09 -0.22 -0.31 0.00 0.00 175.10 175.60 1u2g s LEU 96 N -0.08 2.85 -0.19 1.32 0.20 0.39 0.07 118.68 123.24 1u2g s LEU 96 Ca 0.04 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.56 1u2g s LEU 96 Cb -0.13 -1.67 0.03 0.00 -0.43 0.00 0.00 46.19 43.99 1u2g s LEU 96 CO 0.02 0.12 -0.15 -0.04 -0.29 0.00 0.00 176.35 176.01 1u2g s MET 97 N 0.64 2.50 0.22 1.98 -1.94 -0.25 0.28 119.30 122.73 1u2g s MET 97 Ca -0.05 -0.87 -0.22 0.00 -1.71 0.00 0.00 55.69 52.83 1u2g s MET 97 Cb -0.15 -2.50 0.05 0.00 2.01 0.00 0.00 34.83 34.24 1u2g s MET 97 CO 0.03 -0.33 0.90 0.00 -0.01 0.00 0.00 175.02 175.60 1u2g s HIS 99 N -3.14 2.08 -0.13 0.00 5.65 0.22 -1.71 115.29 118.27 1u2g s HIS 99 Ca 0.14 0.08 0.18 0.00 0.25 0.00 0.00 55.06 55.70 1u2g s HIS 99 Cb -0.03 -4.34 -0.16 0.00 -1.18 0.00 0.00 32.58 26.87 1u2g s HIS 99 CO 0.05 -1.93 0.72 -0.11 -0.65 0.00 0.00 174.74 172.82 1u2g n LEU 100 N 11.58 0.69 -3.74 8.88 7.94 -1.26 -2.15 117.00 138.94 1u2g n LEU 100 Ca 0.31 0.30 -0.26 0.00 -1.11 0.00 0.00 56.01 55.25 1u2g n LEU 100 Cb 0.49 0.11 0.05 0.00 0.53 0.00 0.00 43.42 44.60 1u2g n LEU 100 CO 0.65 0.16 0.13 0.61 -1.11 0.00 0.00 177.39 177.83 1u2g n GLY 101 N 1.42 -0.47 0.37 -3.96 0.00 -1.26 -4.65 105.19 96.63 1u2g n GLY 101 Ca -0.11 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1u2g n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g h ALA 102 N 0.97 1.44 -0.07 4.61 0.00 -1.94 -2.06 119.26 122.21 1u2g h ALA 102 Ca -0.58 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1u2g h ALA 102 Cb 1.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1u2g h ALA 102 CO 0.60 0.47 -0.27 -0.07 0.00 0.00 0.00 179.25 179.99 1u2g h LEU 103 N 1.12 0.12 -2.62 0.00 4.07 -2.02 -3.01 115.31 112.97 1u2g h LEU 103 Ca 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1u2g h LEU 103 Cb 0.03 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1u2g h LEU 103 CO -0.11 0.39 0.00 0.35 -1.08 0.00 0.00 178.44 177.99 1u2g n THR 104 N -4.18 0.82 -3.31 0.22 -2.24 -1.06 -4.74 114.28 99.79 1u2g n THR 104 Ca -0.02 -0.91 -0.26 0.00 -2.27 0.00 0.00 64.05 60.60 1u2g n THR 104 Cb 0.35 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 1u2g n THR 104 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1u2g n ASN 105 N 0.59 0.13 0.07 3.42 3.02 -0.80 -4.97 115.26 116.72 1u2g n ASN 105 Ca 0.11 -2.60 -0.04 0.00 -0.03 0.00 0.00 54.58 52.02 1u2g n ASN 105 Cb 0.41 -0.61 0.17 0.00 -0.61 0.00 0.00 39.78 39.14 1u2g n ASN 105 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1u2g h ARG 106 N 4.75 0.32 -0.69 3.52 2.43 -1.85 -3.25 114.38 119.61 1u2g h ARG 106 Ca 0.16 -0.17 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1u2g h ARG 106 Cb 0.88 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 1u2g h ARG 106 CO 0.45 0.72 0.29 -1.35 -1.51 0.00 0.00 179.97 178.56 1u2g h PRO 107 N 0.26 0.46 0.00 0.20 0.11 -1.93 -1.95 132.00 129.14 1u2g h PRO 107 Ca 0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 1u2g h PRO 107 Cb 0.91 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1u2g h PRO 107 CO 0.08 0.31 -0.37 -0.24 -0.21 0.00 0.00 178.00 177.56 1u2g h VAL 108 N 0.48 1.16 -0.27 3.15 3.04 -1.93 -2.64 116.25 119.24 1u2g h VAL 108 Ca 0.36 -1.33 -0.11 0.00 -1.01 0.00 0.00 66.70 64.61 1u2g h VAL 108 Cb 0.46 1.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1u2g h VAL 108 CO -0.33 0.37 -0.25 0.58 -1.01 0.00 0.00 177.57 176.93 1u2g h VAL 109 N 0.00 1.31 -0.20 1.51 2.07 -1.43 -2.51 116.25 116.99 1u2g h VAL 109 Ca -0.00 -1.41 -0.17 0.00 0.82 0.00 0.00 66.70 65.94 1u2g h VAL 109 Cb 0.71 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1u2g h VAL 109 CO 0.05 0.45 -0.56 -0.33 0.02 0.00 0.00 177.57 177.20 1u2g h GLU 110 N 0.38 0.62 -0.62 1.57 4.39 -1.39 -1.30 114.58 118.23 1u2g h GLU 110 Ca 0.05 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1u2g h GLU 110 Cb 0.81 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 1u2g h GLU 110 CO 0.06 1.01 0.39 0.00 -1.16 0.00 0.00 179.01 179.32 1u2g h ALA 111 N 0.91 0.79 -0.61 3.43 0.00 -1.48 0.26 119.26 122.56 1u2g h ALA 111 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1u2g h ALA 111 Cb 1.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1u2g h ALA 111 CO 0.11 0.25 0.07 -0.07 0.00 0.00 0.00 179.25 179.62 1u2g h LEU 112 N 0.85 0.96 -0.97 0.00 3.38 -1.42 -2.94 115.31 115.17 1u2g h LEU 112 Ca 0.23 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1u2g h LEU 112 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1u2g h LEU 112 CO -0.05 0.98 0.19 0.74 0.09 0.00 0.00 178.44 180.39 1u2g h THR 113 N 0.94 1.23 0.00 0.22 2.02 -0.53 -1.28 112.91 115.52 1u2g h THR 113 Ca 0.18 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1u2g h THR 113 Cb 0.44 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1u2g h THR 113 CO 0.01 0.31 -0.14 0.11 0.37 0.00 0.00 175.52 176.19 1u2g h LYS 114 N 0.91 0.00 -0.60 6.66 1.57 -0.34 -2.24 116.57 122.54 1u2g h LYS 114 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1u2g h LYS 114 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1u2g h LYS 114 CO -0.01 0.14 0.00 0.54 -0.57 0.00 0.00 179.45 179.55 1u2g n ARG 115 N -3.89 4.21 -2.02 3.15 1.74 -1.03 -4.95 116.66 113.87 1u2g n ARG 115 Ca -0.02 -3.01 -0.20 0.00 -0.77 0.00 0.00 57.85 53.85 1u2g n ARG 115 Cb 0.23 -2.05 -0.04 0.00 -1.02 0.00 0.00 32.46 29.58 1u2g n ARG 115 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u2g n LYS 116 N 0.82 -1.49 -3.05 5.56 5.02 -0.84 -2.76 118.16 121.43 1u2g n LYS 116 Ca 0.26 1.07 -0.40 0.00 -2.02 0.00 0.00 58.31 57.22 1u2g n LYS 116 Cb 1.02 -5.56 -0.05 0.00 -0.02 0.00 0.00 35.03 30.43 1u2g n LYS 116 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u2g s ILE 117 N -2.88 5.01 -0.51 -0.18 1.01 -0.51 -3.37 121.20 119.78 1u2g s ILE 117 Ca 0.00 1.39 -0.27 0.00 0.00 0.00 0.00 60.65 61.77 1u2g s ILE 117 Cb 0.00 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.48 1u2g s ILE 117 CO 0.00 0.17 1.04 -0.89 0.00 0.00 0.00 174.94 175.26 1u2g s THR 118 N 1.39 4.29 -0.16 2.92 2.01 -0.65 -4.48 115.64 120.96 1u2g s THR 118 Ca 0.35 0.81 -0.06 0.00 0.31 0.00 0.00 61.69 63.09 1u2g s THR 118 Cb -0.17 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1u2g s THR 118 CO 0.14 -1.04 0.04 0.00 -0.69 0.00 0.00 174.62 173.08 1u2g s ALA 119 N 4.22 3.36 -0.26 7.40 0.00 -0.80 -0.46 121.76 135.22 1u2g s ALA 119 Ca 0.40 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1u2g s ALA 119 Cb -0.09 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.25 1u2g s ALA 119 CO 0.26 0.27 -0.05 0.71 0.00 0.00 0.00 175.76 176.95 1u2g s TYR 120 N 0.12 3.10 -0.49 0.00 1.51 0.14 -1.78 117.35 119.94 1u2g s TYR 120 Ca 0.04 -1.58 -0.21 0.00 -1.01 0.00 0.00 57.07 54.30 1u2g s TYR 120 Cb -0.12 -2.07 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1u2g s TYR 120 CO 0.01 -0.73 0.73 0.00 -1.11 0.00 0.00 175.55 174.45 1u2g s ALA 121 N 1.32 3.30 0.26 3.71 0.00 -0.47 -2.49 121.76 127.39 1u2g s ALA 121 Ca -0.01 -1.39 0.21 0.00 0.00 0.00 0.00 51.96 50.77 1u2g s ALA 121 Cb -0.17 -3.45 0.92 0.00 0.00 0.00 0.00 23.12 20.41 1u2g s ALA 121 CO -0.04 -2.04 1.85 0.52 0.00 0.00 0.00 175.76 176.05 1u2g h MET 122 N 9.05 0.00 0.00 0.00 2.86 -1.63 -2.31 114.93 122.90 1u2g h MET 122 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1u2g h MET 122 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1u2g h MET 122 CO 0.98 0.29 0.00 1.05 1.06 0.00 0.00 176.91 180.28 1u2g h GLU 123 N 0.00 0.00 -0.69 1.72 9.09 -1.92 -2.71 114.58 120.06 1u2g h GLU 123 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1u2g h GLU 123 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1u2g h GLU 123 CO 0.04 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.38 1u2g n LEU 124 N -2.94 3.22 -4.71 3.06 4.77 -0.87 -4.94 117.00 114.59 1u2g n LEU 124 Ca -0.00 -1.63 -0.42 0.00 -0.03 0.00 0.00 56.01 53.93 1u2g n LEU 124 Cb 0.23 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1u2g n LEU 124 CO 0.24 0.47 1.41 -0.32 -1.33 0.00 0.00 177.39 177.86 1u2g s MET 125 N -1.84 4.13 0.60 3.23 1.75 -1.02 -4.17 119.30 121.98 1u2g s MET 125 Ca 0.29 2.61 -0.18 0.00 -1.25 0.00 0.00 55.69 57.16 1u2g s MET 125 Cb 0.20 -3.24 -0.03 0.00 2.84 0.00 0.00 34.83 34.60 1u2g s MET 125 CO 0.11 -0.79 1.17 -1.25 -0.65 0.00 0.00 175.02 173.61 1u2g s PRO 126 N 1.69 2.96 -1.34 4.11 0.04 -1.26 -4.89 135.00 136.31 1u2g s PRO 126 Ca 0.77 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 1u2g s PRO 126 Cb -0.49 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.20 1u2g s PRO 126 CO 0.33 -1.18 1.89 0.54 0.04 0.00 0.00 177.00 178.62 1u2g n ARG 127 N -1.76 3.18 -4.28 4.56 5.12 -1.26 -4.82 116.66 117.40 1u2g n ARG 127 Ca 0.13 -3.18 -0.21 0.00 -1.93 0.00 0.00 57.85 52.66 1u2g n ARG 127 Cb 0.50 -3.25 -0.12 0.00 -1.16 0.00 0.00 32.46 28.44 1u2g n ARG 127 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1u2g s ILE 128 N 2.73 1.57 0.21 0.55 -4.36 -1.26 -4.93 121.20 115.70 1u2g s ILE 128 Ca 0.47 -1.71 -0.10 0.00 -0.26 0.00 0.00 60.65 59.05 1u2g s ILE 128 Cb 0.07 -1.61 0.15 0.00 1.25 0.00 0.00 42.46 42.33 1u2g s ILE 128 CO -0.01 -0.28 1.86 0.28 0.24 0.00 0.00 174.94 177.03 1u2g h SER 129 N 3.62 0.79 0.69 4.36 0.02 -2.03 -2.34 113.55 118.65 1u2g h SER 129 Ca -0.42 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1u2g h SER 129 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1u2g h SER 129 CO 0.47 0.56 0.00 -2.11 -1.14 0.00 0.00 176.83 174.61 1u2g n ARG 130 N -4.62 0.20 -0.19 3.45 1.85 -1.26 -2.26 116.66 113.83 1u2g n ARG 130 Ca 0.07 0.45 0.12 0.00 -1.00 0.00 0.00 57.85 57.49 1u2g n ARG 130 Cb 0.05 -1.90 0.25 0.00 -1.05 0.00 0.00 32.46 29.81 1u2g n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1u2g n ALA 131 N -1.79 2.43 -0.16 2.89 0.00 -0.88 -4.36 120.51 118.64 1u2g n ALA 131 Ca 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 53.44 52.53 1u2g n ALA 131 Cb 0.22 -0.92 0.29 0.00 0.00 0.00 0.00 19.45 19.04 1u2g n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u2g h GLN 132 N 4.08 0.88 0.00 0.00 4.20 -1.47 -1.50 115.11 121.29 1u2g h GLN 132 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1u2g h GLN 132 Cb 0.90 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1u2g h GLN 132 CO 0.00 0.58 0.00 0.66 -0.67 0.00 0.00 178.83 179.40 1u2g h SER 133 N 0.90 0.00 -0.01 1.46 4.64 -1.81 -2.81 113.55 115.92 1u2g h SER 133 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1u2g h SER 133 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1u2g h SER 133 CO -0.05 0.00 -0.35 0.23 -0.87 0.00 0.00 176.83 175.79 1u2g n MET 134 N -2.89 1.52 -2.61 4.77 2.81 -0.63 -4.20 117.12 115.89 1u2g n MET 134 Ca 0.00 -0.99 -0.43 0.00 -1.81 0.00 0.00 57.70 54.48 1u2g n MET 134 Cb 0.24 -1.36 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 1u2g n MET 134 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1u2g s ASP 135 N -2.09 6.54 0.37 7.83 2.15 -0.81 -4.74 116.67 125.93 1u2g s ASP 135 Ca 0.16 0.28 0.20 0.00 0.43 0.00 0.00 52.55 53.62 1u2g s ASP 135 Cb 0.15 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.81 1u2g s ASP 135 CO 0.45 -1.34 1.68 0.16 -0.17 0.00 0.00 175.17 175.95 1u2g h ILE 136 N 6.19 0.71 -0.34 4.11 3.07 -1.90 -3.12 117.51 126.24 1u2g h ILE 136 Ca -0.24 -1.55 -0.06 0.00 1.55 0.00 0.00 64.86 64.56 1u2g h ILE 136 Cb 1.06 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 39.62 1u2g h ILE 136 CO 1.15 0.33 -0.01 -0.07 -1.05 0.00 0.00 178.15 178.50 1u2g h LEU 137 N 0.00 0.59 -0.13 0.16 3.38 -1.90 -2.71 115.31 114.70 1u2g h LEU 137 Ca -0.00 -0.31 -0.24 0.00 0.09 0.00 0.00 57.88 57.42 1u2g h LEU 137 Cb 0.99 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1u2g h LEU 137 CO 0.04 0.76 -0.89 0.77 0.09 0.00 0.00 178.44 179.22 1u2g h SER 138 N 0.40 0.85 -0.78 -0.43 4.64 -1.95 -1.83 113.55 114.45 1u2g h SER 138 Ca 0.09 -0.61 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 1u2g h SER 138 Cb 0.46 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1u2g h SER 138 CO 0.02 1.41 0.29 0.77 -0.87 0.00 0.00 176.83 178.45 1u2g h SER 139 N 0.43 1.09 0.19 4.97 4.64 -1.59 -1.66 113.55 121.63 1u2g h SER 139 Ca -0.08 -0.18 -0.26 0.00 -0.47 0.00 0.00 61.79 60.79 1u2g h SER 139 Cb 1.52 -0.28 0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1u2g h SER 139 CO 0.17 0.98 -1.16 1.56 -0.87 0.00 0.00 176.83 177.51 1u2g h GLN 140 N 1.13 0.41 -0.06 4.77 1.08 -1.52 -3.29 115.11 117.63 1u2g h GLN 140 Ca 0.26 -0.70 -0.10 0.00 -1.45 0.00 0.00 58.65 56.66 1u2g h GLN 140 Cb 0.25 0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1u2g h GLN 140 CO -0.02 1.33 -0.40 0.66 -0.95 0.00 0.00 178.83 179.45 1u2g h SER 141 N -0.13 0.13 -0.46 1.46 4.64 -1.36 -1.76 113.55 116.07 1u2g h SER 141 Ca -0.21 -0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.11 1u2g h SER 141 Cb 1.89 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.90 1u2g h SER 141 CO 0.20 0.52 0.21 -1.13 -0.87 0.00 0.00 176.83 175.77 1u2g h ASN 142 N 0.11 0.28 0.57 4.97 -1.24 -1.41 -0.93 115.58 117.92 1u2g h ASN 142 Ca 0.01 0.04 -0.12 0.00 0.71 0.00 0.00 56.30 56.94 1u2g h ASN 142 Cb 0.76 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 1u2g h ASN 142 CO 0.06 0.20 -0.55 -0.07 -1.29 0.00 0.00 177.43 175.77 1u2g h LEU 143 N 0.42 0.00 -1.23 0.34 3.38 -1.55 -2.80 115.31 113.86 1u2g h LEU 143 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1u2g h LEU 143 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1u2g h LEU 143 CO -0.17 0.55 -0.35 0.00 0.09 0.00 0.00 178.44 178.56 1u2g h ALA 144 N 1.45 1.36 -0.17 1.53 0.00 -0.89 -0.77 119.26 121.77 1u2g h ALA 144 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1u2g h ALA 144 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1u2g h ALA 144 CO 0.07 0.47 0.03 0.78 0.00 0.00 0.00 179.25 180.60 1u2g h GLY 145 N 1.08 0.30 0.68 0.00 0.00 -0.92 -0.92 103.07 103.29 1u2g h GLY 145 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1u2g h GLY 145 CO 0.05 0.18 -0.19 -1.82 0.00 0.00 0.00 176.54 174.76 1u2g h TYR 146 N 0.07 -0.49 -0.21 5.60 3.20 -1.37 -3.08 116.97 120.69 1u2g h TYR 146 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1u2g h TYR 146 Cb 0.30 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1u2g h TYR 146 CO 0.02 -0.27 0.08 -0.09 -1.64 0.00 0.00 178.16 176.25 1u2g h ARG 147 N -0.36 0.29 -0.90 1.82 9.65 -1.05 -1.62 114.38 122.21 1u2g h ARG 147 Ca 0.02 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1u2g h ARG 147 Cb 0.38 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.84 1u2g h ARG 147 CO -0.10 0.25 0.58 0.00 2.80 0.00 0.00 179.97 183.49 1u2g h ALA 148 N 1.80 1.21 -0.37 2.80 0.00 -1.07 0.17 119.26 123.80 1u2g h ALA 148 Ca 0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1u2g h ALA 148 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1u2g h ALA 148 CO -0.01 0.39 -0.32 0.28 0.00 0.00 0.00 179.25 179.59 1u2g h VAL 149 N 1.09 1.28 -0.58 0.00 2.07 -1.32 0.69 116.25 119.48 1u2g h VAL 149 Ca 0.37 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1u2g h VAL 149 Cb 0.07 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1u2g h VAL 149 CO -0.14 0.50 0.12 0.40 0.02 0.00 0.00 177.57 178.46 1u2g h ILE 150 N 0.68 1.25 -0.59 4.57 1.08 -1.21 0.23 117.51 123.53 1u2g h ILE 150 Ca 0.07 -0.94 -0.09 0.00 -0.39 0.00 0.00 64.86 63.51 1u2g h ILE 150 Cb 0.91 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1u2g h ILE 150 CO 0.08 0.35 0.02 0.44 -0.69 0.00 0.00 178.15 178.35 1u2g h ASP 151 N 0.85 0.98 -0.03 1.72 3.32 -0.60 -1.74 116.42 120.91 1u2g h ASP 151 Ca 0.18 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1u2g h ASP 151 Cb 0.38 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1u2g h ASP 151 CO 0.01 1.02 0.01 1.23 -1.72 0.00 0.00 179.24 179.79 1u2g h GLY 152 N 1.01 0.05 1.11 2.75 0.00 -0.57 -2.34 103.07 105.09 1u2g h GLY 152 Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1u2g h GLY 152 CO 0.02 0.03 0.55 0.00 0.00 0.00 0.00 176.54 177.14 1u2g h ALA 153 N 0.86 1.45 -0.47 3.60 0.00 -0.93 -1.05 119.26 122.72 1u2g h ALA 153 Ca 0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1u2g h ALA 153 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1u2g h ALA 153 CO -0.00 0.48 -0.18 -0.92 0.00 0.00 0.00 179.25 178.63 1u2g h TYR 154 N 1.08 1.04 0.00 0.00 3.20 -1.24 -3.02 116.97 118.03 1u2g h TYR 154 Ca 0.32 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1u2g h TYR 154 Cb -0.04 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1u2g h TYR 154 CO -0.00 1.02 -0.16 0.93 -1.64 0.00 0.00 178.16 178.31 1u2g h GLU 155 N 0.81 0.00 -6.29 1.82 4.39 -1.13 -3.46 114.58 110.72 1u2g h GLU 155 Ca 0.11 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.27 1u2g h GLU 155 Cb 0.73 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1u2g h GLU 155 CO 0.06 0.00 0.18 0.12 -1.16 0.00 0.00 179.01 178.21 1u2g s PHE 156 N -3.16 3.72 -1.71 4.33 5.36 -0.42 -4.96 117.98 121.14 1u2g s PHE 156 Ca 0.08 1.49 0.10 0.00 -0.96 0.00 0.00 56.93 57.64 1u2g s PHE 156 Cb 0.10 -2.85 0.33 0.00 -0.34 0.00 0.00 43.02 40.26 1u2g s PHE 156 CO 0.65 0.23 1.23 0.00 -1.46 0.00 0.00 175.22 175.86 1u2g n ALA 157 N 2.99 2.60 -2.56 11.12 0.00 -1.26 -4.86 120.51 128.54 1u2g n ALA 157 Ca -0.01 -0.69 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 1u2g n ALA 157 Cb 0.50 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 1u2g n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u2g s ARG 158 N -1.59 1.85 0.30 0.00 0.52 -1.26 -5.15 118.95 113.62 1u2g s ARG 158 Ca 0.24 -2.05 -0.08 0.00 -0.52 0.00 0.00 55.73 53.32 1u2g s ARG 158 Cb 0.14 -1.30 -0.06 0.00 0.52 0.00 0.00 34.95 34.25 1u2g s ARG 158 CO 0.14 -0.13 0.60 0.00 0.02 0.00 0.00 175.30 175.93 1u2g s ALA 159 N -2.96 3.54 -0.07 2.13 0.00 -1.26 -5.03 121.76 118.10 1u2g s ALA 159 Ca 0.34 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 1u2g s ALA 159 Cb 0.09 -2.44 -0.22 0.00 0.00 0.00 0.00 23.12 20.55 1u2g s ALA 159 CO 0.16 0.26 1.05 0.74 0.00 0.00 0.00 175.76 177.97 1u2g h PHE 160 N 1.84 -0.01 -4.08 0.00 -1.00 -1.91 -3.36 116.94 108.42 1u2g h PHE 160 Ca -0.47 -0.00 -0.47 0.00 2.81 0.00 0.00 57.97 59.84 1u2g h PHE 160 Cb 1.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1u2g h PHE 160 CO 0.59 0.67 0.32 -1.25 -1.61 0.00 0.00 178.31 177.04 1u2g s PRO 161 N -3.40 4.00 0.19 1.51 0.04 -0.96 -0.50 135.00 135.88 1u2g s PRO 161 Ca -0.17 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1u2g s PRO 161 Cb -0.00 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1u2g s PRO 161 CO 0.67 -0.17 1.30 1.41 0.04 0.00 0.00 177.00 180.25 1u2g s MET 162 N -3.79 4.40 -0.08 4.56 -2.45 -1.26 -4.45 119.30 116.23 1u2g s MET 162 Ca 0.58 2.03 -0.02 0.00 -1.25 0.00 0.00 55.69 57.03 1u2g s MET 162 Cb -0.10 -3.21 0.04 0.00 1.25 0.00 0.00 34.83 32.81 1u2g s MET 162 CO 0.26 -0.25 0.05 -1.64 1.05 0.00 0.00 175.02 174.50 1u2g s MET 163 N -0.03 0.16 -0.07 4.11 -1.94 -0.83 -4.96 119.30 115.75 1u2g s MET 163 Ca 0.57 0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 54.43 1u2g s MET 163 Cb -0.36 -0.97 -0.02 0.00 2.01 0.00 0.00 34.83 35.49 1u2g s MET 163 CO 0.37 -0.41 1.00 -1.64 -0.01 0.00 0.00 175.02 174.34 1u2g s MET 164 N 2.10 4.47 0.16 2.03 -1.94 -1.26 -1.20 119.30 123.66 1u2g s MET 164 Ca 0.04 1.41 0.00 0.00 -1.71 0.00 0.00 55.69 55.43 1u2g s MET 164 Cb -0.13 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.15 1u2g s MET 164 CO -0.05 -0.23 0.05 0.95 -0.01 0.00 0.00 175.02 175.73 1u2g s THR 165 N 1.68 0.32 0.41 2.05 -4.23 -0.98 -4.99 115.64 109.91 1u2g s THR 165 Ca 0.50 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1u2g s THR 165 Cb -0.19 -2.18 0.24 0.00 1.34 0.00 0.00 72.50 71.71 1u2g s THR 165 CO 0.21 -0.37 2.02 0.00 -0.54 0.00 0.00 174.62 175.94 1u2g h ALA 166 N 2.74 1.66 -0.00 3.99 0.00 -2.04 -1.41 119.26 124.19 1u2g h ALA 166 Ca -0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1u2g h ALA 166 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u2g h ALA 166 CO 0.60 0.28 -0.00 0.00 0.00 0.00 0.00 179.25 180.12 1u2g n ALA 167 N -2.48 2.66 0.00 0.00 0.00 -1.26 -5.02 120.51 114.41 1u2g n ALA 167 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1u2g n ALA 167 Cb 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1u2g n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2g n GLY 168 N 1.06 1.59 3.67 0.00 0.00 -0.53 -5.04 105.19 105.94 1u2g n GLY 168 Ca 0.22 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 1u2g n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u2g s THR 169 N -1.43 5.10 -0.21 2.61 2.01 -1.26 -2.31 115.64 120.15 1u2g s THR 169 Ca 0.00 1.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.82 1u2g s THR 169 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1u2g s THR 169 CO 0.00 0.19 0.61 0.68 -0.69 0.00 0.00 174.62 175.41 1u2g s VAL 170 N 1.52 5.03 0.65 3.82 -7.23 -0.34 -4.98 120.40 118.87 1u2g s VAL 170 Ca 0.26 1.14 -0.12 0.00 -1.81 0.00 0.00 61.98 61.45 1u2g s VAL 170 Cb -0.16 -3.93 -0.02 0.00 0.56 0.00 0.00 36.38 32.84 1u2g s VAL 170 CO 0.10 0.11 1.05 -2.16 -0.31 0.00 0.00 175.10 173.89 1u2g s PRO 171 N 1.97 3.21 0.62 4.82 0.04 -1.26 -1.96 135.00 142.44 1u2g s PRO 171 Ca 0.27 0.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1u2g s PRO 171 Cb -0.16 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1u2g s PRO 171 CO 0.10 -0.88 1.15 -1.25 0.04 0.00 0.00 177.00 176.16 1u2g s PRO 172 N -4.84 2.92 0.50 0.56 0.04 -1.26 -4.47 135.00 128.45 1u2g s PRO 172 Ca 0.58 1.59 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 1u2g s PRO 172 Cb -0.13 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1u2g s PRO 172 CO 0.50 -1.19 1.08 0.00 0.04 0.00 0.00 177.00 177.43 1u2g s ALA 173 N -1.97 2.84 -0.23 8.56 0.00 0.35 -4.84 121.76 126.46 1u2g s ALA 173 Ca 0.72 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 53.32 1u2g s ALA 173 Cb -0.25 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1u2g s ALA 173 CO 0.36 -0.47 0.04 1.03 0.00 0.00 0.00 175.76 176.71 1u2g s ARG 174 N -3.16 3.63 -0.05 0.00 0.52 -1.26 -1.05 118.95 117.58 1u2g s ARG 174 Ca 0.68 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1u2g s ARG 174 Cb -0.20 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 1u2g s ARG 174 CO 0.24 -0.11 -0.14 0.08 0.02 0.00 0.00 175.30 175.39 1u2g s VAL 175 N 1.37 3.12 -0.18 3.52 1.01 0.20 -0.45 120.40 128.98 1u2g s VAL 175 Ca 0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1u2g s VAL 175 Cb -0.15 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1u2g s VAL 175 CO 0.02 0.59 -0.07 -0.22 0.00 0.00 0.00 175.10 175.43 1u2g s LEU 176 N -0.72 1.90 -0.30 3.92 0.20 -0.09 0.31 118.68 123.90 1u2g s LEU 176 Ca 0.11 -0.79 -0.10 0.00 0.69 0.00 0.00 54.13 54.04 1u2g s LEU 176 Cb -0.11 -1.03 -0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1u2g s LEU 176 CO 0.01 -0.18 0.16 0.68 -0.29 0.00 0.00 176.35 176.73 1u2g s VAL 177 N 1.54 4.84 -0.28 1.68 -7.23 -0.35 -0.95 120.40 119.65 1u2g s VAL 177 Ca -0.01 -0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 59.75 1u2g s VAL 177 Cb -0.16 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 1u2g s VAL 177 CO -0.08 0.14 0.65 -0.36 -0.31 0.00 0.00 175.10 175.14 1u2g s PHE 178 N 1.67 3.24 0.00 2.82 0.40 0.75 -2.21 117.98 124.65 1u2g s PHE 178 Ca 0.06 0.70 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 1u2g s PHE 178 Cb -0.17 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.41 1u2g s PHE 178 CO 0.08 -0.42 0.00 0.41 0.70 0.00 0.00 175.22 175.98 1u2g n GLY 179 N 4.29 -1.63 2.80 4.36 0.00 -0.22 -1.31 105.19 113.48 1u2g n GLY 179 Ca -0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1u2g n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u2g n VAL 180 N 1.09 3.40 -0.16 1.61 0.31 -1.25 -4.21 118.33 119.11 1u2g n VAL 180 Ca 0.00 -5.58 0.00 0.00 -0.01 0.00 0.00 64.34 58.75 1u2g n VAL 180 Cb 0.00 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1u2g n VAL 180 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2g n GLY 181 N 0.05 1.34 0.08 2.92 0.00 -1.26 -4.67 105.19 103.65 1u2g n GLY 181 Ca 0.33 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1u2g n GLY 181 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u2g h VAL 182 N 0.00 1.28 -0.66 1.61 2.07 -1.93 -1.97 116.25 116.65 1u2g h VAL 182 Ca 0.00 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1u2g h VAL 182 Cb 0.00 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1u2g h VAL 182 CO 0.00 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.91 1u2g h ALA 183 N 0.68 0.89 -0.35 1.67 0.00 -1.88 -3.12 119.26 117.15 1u2g h ALA 183 Ca 0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1u2g h ALA 183 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u2g h ALA 183 CO 0.01 0.67 -0.24 0.78 0.00 0.00 0.00 179.25 180.47 1u2g h GLY 184 N 1.04 0.76 1.12 0.00 0.00 -1.71 -1.64 103.07 102.63 1u2g h GLY 184 Ca 0.20 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1u2g h GLY 184 CO 0.02 0.59 0.15 1.41 0.00 0.00 0.00 176.54 178.71 1u2g h LEU 185 N 0.61 1.04 -0.68 3.11 3.38 -1.35 -1.51 115.31 119.90 1u2g h LEU 185 Ca 0.08 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1u2g h LEU 185 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1u2g h LEU 185 CO 0.06 1.00 -0.65 -0.61 0.09 0.00 0.00 178.44 178.32 1u2g h GLN 186 N 1.03 0.04 -0.24 1.13 5.75 -1.46 -1.93 115.11 119.43 1u2g h GLN 186 Ca 0.21 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1u2g h GLN 186 Cb 0.38 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1u2g h GLN 186 CO 0.00 0.68 -0.01 0.00 -2.65 0.00 0.00 178.83 176.86 1u2g h ALA 187 N 1.31 0.33 -0.22 3.38 0.00 -1.09 -1.42 119.26 121.54 1u2g h ALA 187 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1u2g h ALA 187 Cb 1.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1u2g h ALA 187 CO 0.09 0.07 0.03 0.82 0.00 0.00 0.00 179.25 180.25 1u2g h ILE 188 N 0.20 0.88 -0.73 0.00 2.04 -1.19 -0.30 117.51 118.41 1u2g h ILE 188 Ca 0.07 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1u2g h ILE 188 Cb 0.43 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1u2g h ILE 188 CO 0.01 0.02 0.33 0.00 0.00 0.00 0.00 178.15 178.52 1u2g h ALA 189 N 1.17 1.22 0.07 1.87 0.00 -1.30 -0.61 119.26 121.68 1u2g h ALA 189 Ca 0.10 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 1u2g h ALA 189 Cb 0.11 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1u2g h ALA 189 CO -0.15 0.59 -1.13 1.15 0.00 0.00 0.00 179.25 179.71 1u2g h THR 190 N 1.03 1.34 -0.32 0.00 2.02 -1.04 -1.57 112.91 114.37 1u2g h THR 190 Ca 0.25 -2.49 -0.04 0.00 0.77 0.00 0.00 66.41 64.91 1u2g h THR 190 Cb 0.13 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1u2g h THR 190 CO -0.03 0.75 0.06 0.00 0.37 0.00 0.00 175.52 176.68 1u2g h ALA 191 N 0.47 0.43 -0.45 6.16 0.00 -0.93 -2.54 119.26 122.40 1u2g h ALA 191 Ca -0.14 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1u2g h ALA 191 Cb 1.79 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1u2g h ALA 191 CO 0.21 0.11 0.17 0.87 0.00 0.00 0.00 179.25 180.61 1u2g h LYS 192 N 0.37 0.33 -0.77 0.00 1.79 -1.14 -1.74 116.57 115.41 1u2g h LYS 192 Ca 0.10 -0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.72 1u2g h LYS 192 Cb 0.33 -0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 30.79 1u2g h LYS 192 CO 0.00 0.22 0.24 0.00 -1.08 0.00 0.00 179.45 178.83 1u2g h ARG 193 N 0.34 0.32 0.00 3.15 3.08 -1.15 -1.35 114.38 118.77 1u2g h ARG 193 Ca 0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1u2g h ARG 193 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1u2g h ARG 193 CO -0.21 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1u2g n LEU 194 N -5.11 0.00 0.00 3.04 4.77 -0.84 -4.88 117.00 113.98 1u2g n LEU 194 Ca 0.16 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1u2g n LEU 194 Cb 0.48 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1u2g n LEU 194 CO 0.14 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1u2g n GLY 195 N 0.96 0.83 3.79 -0.72 0.00 -0.51 -2.26 105.19 107.28 1u2g n GLY 195 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1u2g n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 196 N -2.08 2.82 -0.13 4.61 0.00 -0.71 -4.30 121.76 121.97 1u2g s ALA 196 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 1u2g s ALA 196 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1u2g s ALA 196 CO 0.00 -0.48 0.88 0.08 0.00 0.00 0.00 175.76 176.25 1u2g s VAL 197 N -2.00 4.87 -0.18 0.00 1.01 -0.22 -4.44 120.40 119.45 1u2g s VAL 197 Ca 0.68 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 64.42 1u2g s VAL 197 Cb -0.18 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1u2g s VAL 197 CO 0.24 0.05 -0.13 -0.69 0.00 0.00 0.00 175.10 174.56 1u2g s VAL 198 N 1.92 2.75 0.20 2.92 1.01 -1.26 -0.63 120.40 127.32 1u2g s VAL 198 Ca 0.42 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1u2g s VAL 198 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1u2g s VAL 198 CO 0.15 0.50 0.21 -0.04 0.00 0.00 0.00 175.10 175.92 1u2g s MET 199 N 1.06 3.05 0.13 2.72 -1.94 0.15 -1.73 119.30 122.75 1u2g s MET 199 Ca -0.00 -0.88 -0.23 0.00 -1.71 0.00 0.00 55.69 52.87 1u2g s MET 199 Cb -0.15 -2.69 0.06 0.00 2.01 0.00 0.00 34.83 34.07 1u2g s MET 199 CO -0.03 0.45 0.58 0.00 -0.01 0.00 0.00 175.02 176.01 1u2g s ALA 200 N -1.91 -1.51 0.10 3.03 0.00 -0.96 -1.21 121.76 119.30 1u2g s ALA 200 Ca 0.32 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 1u2g s ALA 200 Cb -0.09 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1u2g s ALA 200 CO 0.25 -0.71 0.23 -0.08 0.00 0.00 0.00 175.76 175.46 1u2g s THR 201 N -3.48 0.12 -0.09 0.00 -1.32 -0.94 -0.86 115.64 109.07 1u2g s THR 201 Ca -0.00 -1.10 -0.31 0.00 -1.21 0.00 0.00 61.69 59.07 1u2g s THR 201 Cb -0.01 -1.36 0.12 0.00 -1.51 0.00 0.00 72.50 69.74 1u2g s THR 201 CO -0.10 -0.56 1.00 -0.62 -2.21 0.00 0.00 174.62 172.12 1u2g s ASP 202 N -2.86 -0.31 0.24 8.08 -1.08 -1.26 -1.05 116.67 118.43 1u2g s ASP 202 Ca 0.06 0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.33 1u2g s ASP 202 Cb 0.04 0.30 0.02 0.00 -1.46 0.00 0.00 42.92 41.82 1u2g s ASP 202 CO -0.10 -0.45 1.37 -0.37 0.52 0.00 0.00 175.17 176.14 1u2g h VAL 203 N 2.13 0.91 -3.39 1.11 -1.51 -1.98 -3.45 116.25 110.08 1u2g h VAL 203 Ca -0.18 -2.32 -0.54 0.00 -1.23 0.00 0.00 66.70 62.43 1u2g h VAL 203 Cb 1.20 2.43 -0.02 0.00 -2.13 0.00 0.00 31.29 32.77 1u2g h VAL 203 CO 0.29 0.52 0.39 -0.13 -1.23 0.00 0.00 177.57 177.41 1u2g s ARG 204 N -2.93 4.54 0.22 5.19 0.52 -1.26 -4.45 118.95 120.78 1u2g s ARG 204 Ca 0.03 1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 56.64 1u2g s ARG 204 Cb 0.08 -3.47 0.22 0.00 0.52 0.00 0.00 34.95 32.29 1u2g s ARG 204 CO 0.76 -0.08 1.58 0.00 0.02 0.00 0.00 175.30 177.58 1u2g h ALA 205 N 6.84 0.84 0.00 2.13 0.00 -1.86 -3.03 119.26 124.17 1u2g h ALA 205 Ca -0.40 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1u2g h ALA 205 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u2g h ALA 205 CO 0.76 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.79 1u2g h ALA 206 N 1.10 1.12 0.00 0.00 0.00 -1.93 -2.62 119.26 116.93 1u2g h ALA 206 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1u2g h ALA 206 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1u2g h ALA 206 CO 0.08 -0.12 -0.42 0.00 0.00 0.00 0.00 179.25 178.79 1u2g h THR 207 N 0.00 0.75 -0.63 0.00 1.03 -1.90 -3.30 112.91 108.86 1u2g h THR 207 Ca 0.00 -1.97 0.07 0.00 -0.01 0.00 0.00 66.41 64.50 1u2g h THR 207 Cb 0.25 2.30 -0.06 0.00 -1.07 0.00 0.00 68.15 69.57 1u2g h THR 207 CO 0.00 0.42 0.30 0.50 -0.01 0.00 0.00 175.52 176.73 1u2g h LYS 208 N 0.00 0.54 -0.32 0.00 3.64 -1.66 -1.38 116.57 117.39 1u2g h LYS 208 Ca -0.00 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1u2g h LYS 208 Cb 1.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1u2g h LYS 208 CO 0.06 0.35 -0.24 1.49 -2.27 0.00 0.00 179.45 178.84 1u2g h GLU 209 N 0.55 0.63 -0.40 1.90 4.81 -1.78 -2.30 114.58 117.99 1u2g h GLU 209 Ca 0.30 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1u2g h GLU 209 Cb 0.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1u2g h GLU 209 CO -0.23 0.82 0.02 1.96 -0.73 0.00 0.00 179.01 180.85 1u2g h GLN 210 N 0.55 0.69 -0.47 1.92 4.20 -1.53 -1.68 115.11 118.79 1u2g h GLN 210 Ca 0.08 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.58 1u2g h GLN 210 Cb 0.71 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1u2g h GLN 210 CO 0.05 0.77 0.31 0.28 -0.67 0.00 0.00 178.83 179.57 1u2g h VAL 211 N 0.53 1.11 -0.14 -0.54 2.07 -1.19 -2.90 116.25 115.19 1u2g h VAL 211 Ca 0.12 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1u2g h VAL 211 Cb 0.44 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1u2g h VAL 211 CO 0.02 0.11 -0.39 -0.33 0.02 0.00 0.00 177.57 177.00 1u2g h GLU 212 N 0.62 0.30 0.00 1.57 5.08 -1.27 -1.19 114.58 119.70 1u2g h GLU 212 Ca 0.17 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1u2g h GLU 212 Cb -0.06 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1u2g h GLU 212 CO -0.04 0.65 -0.07 0.66 -1.00 0.00 0.00 179.01 179.21 1u2g h SER 213 N 0.26 0.00 -0.01 1.42 4.64 -1.20 -2.57 113.55 116.08 1u2g h SER 213 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u2g h SER 213 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1u2g h SER 213 CO 0.06 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.28 1u2g n LEU 214 N -3.19 1.40 0.00 5.97 4.77 -0.98 -4.93 117.00 120.03 1u2g n LEU 214 Ca 0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1u2g n LEU 214 Cb 0.36 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1u2g n LEU 214 CO 0.30 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1u2g n GLY 215 N 1.16 0.60 3.95 -0.72 0.00 -0.97 -4.87 105.19 104.34 1u2g n GLY 215 Ca 0.19 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 1u2g n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u2g s GLY 216 N -2.65 1.60 -0.16 -0.02 0.00 -0.49 -4.75 107.32 100.86 1u2g s GLY 216 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.21 1u2g s GLY 216 CO 0.00 -1.42 -0.08 0.54 0.00 0.00 0.00 173.10 172.14 1u2g s LYS 217 N -4.10 3.48 0.10 2.90 1.02 -0.70 -3.88 119.74 118.56 1u2g s LYS 217 Ca 0.43 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.58 1u2g s LYS 217 Cb -0.08 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.34 1u2g s LYS 217 CO 0.30 0.13 0.69 0.12 -0.92 0.00 0.00 175.35 175.66 1u2g s PHE 218 N 0.61 3.83 -0.52 3.18 5.36 -1.26 -2.27 117.98 126.92 1u2g s PHE 218 Ca -0.05 1.45 -0.17 0.00 -0.96 0.00 0.00 56.93 57.20 1u2g s PHE 218 Cb -0.15 -2.67 0.08 0.00 -0.34 0.00 0.00 43.02 39.95 1u2g s PHE 218 CO 0.03 0.49 0.54 0.42 -1.46 0.00 0.00 175.22 175.24 1u2g s ILE 219 N -0.89 5.05 0.27 3.12 1.01 -0.04 -4.94 121.20 124.78 1u2g s ILE 219 Ca 0.33 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1u2g s ILE 219 Cb -0.21 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.89 1u2g s ILE 219 CO 0.22 -0.79 0.95 -0.89 0.00 0.00 0.00 174.94 174.44 1u2g s THR 220 N 2.11 4.07 0.11 2.92 2.01 -1.26 -4.67 115.64 120.93 1u2g s THR 220 Ca 0.08 1.96 0.00 0.00 0.31 0.00 0.00 61.69 64.04 1u2g s THR 220 Cb -0.24 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1u2g s THR 220 CO 0.07 0.37 0.00 0.55 -0.69 0.00 0.00 174.62 174.92 1u2g n VAL 221 N 1.15 0.71 -3.49 3.82 3.14 -1.26 -4.99 118.33 117.41 1u2g n VAL 221 Ca -0.01 0.24 -0.29 0.00 -2.96 0.00 0.00 64.34 61.32 1u2g n VAL 221 Cb 0.48 -1.32 -0.13 0.00 -1.06 0.00 0.00 33.84 31.80 1u2g n VAL 221 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1u2g s ASP 222 N -5.58 3.18 0.25 6.55 -1.08 -1.26 -4.99 116.67 113.74 1u2g s ASP 222 Ca 0.00 -1.82 -0.04 0.00 -0.52 0.00 0.00 52.55 50.17 1u2g s ASP 222 Cb 0.00 -0.37 0.38 0.00 -1.46 0.00 0.00 42.92 41.47 1u2g s ASP 222 CO 0.00 -0.36 1.83 0.44 0.52 0.00 0.00 175.17 177.60 1u2g h ASP 223 N 7.57 0.77 -0.09 -0.34 3.32 -1.99 -1.02 116.42 124.64 1u2g h ASP 223 Ca -0.04 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1u2g h ASP 223 Cb 0.99 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1u2g h ASP 223 CO 0.33 0.47 -0.26 -0.08 -1.72 0.00 0.00 179.24 177.97 1u2g h GLU 224 N 0.89 0.34 0.00 3.56 4.81 -2.03 -3.29 114.58 118.87 1u2g h GLU 224 Ca 0.39 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1u2g h GLU 224 Cb 0.28 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1u2g h GLU 224 CO -0.21 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 1u2g h ALA 225 N 0.48 1.00 0.00 2.92 0.00 -1.91 -2.97 119.26 118.77 1u2g h ALA 225 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u2g h ALA 225 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1u2g h ALA 225 CO 0.06 0.00 -0.17 0.52 0.00 0.00 0.00 179.25 179.65 1u2g h MET 226 N 0.00 0.00 -0.16 0.00 2.86 -1.26 -3.36 114.93 113.01 1u2g h MET 226 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1u2g h MET 226 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1u2g h MET 226 CO 0.00 0.00 -0.14 0.87 1.06 0.00 0.00 176.91 178.70 1u2g h LYS 227 N 0.00 0.37 -2.24 1.72 1.79 -1.63 -3.17 116.57 113.41 1u2g h LYS 227 Ca 0.00 -0.19 -0.74 0.00 -2.18 0.00 0.00 60.65 57.54 1u2g h LYS 227 Cb 0.78 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.21 1u2g h LYS 227 CO 0.00 0.74 1.28 0.25 -1.08 0.00 0.00 179.45 180.64 1u2g n THR 228 N -4.55 4.97 -0.06 -0.16 -2.24 -1.26 -4.49 114.28 106.50 1u2g n THR 228 Ca -0.06 -4.82 -0.07 0.00 -2.27 0.00 0.00 64.05 56.84 1u2g n THR 228 Cb 0.36 -1.61 -0.07 0.00 -2.10 0.00 0.00 70.33 66.91 1u2g n THR 228 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u2g n ALA 229 N 0.37 1.74 -1.60 6.98 0.00 -1.22 -5.03 120.51 121.75 1u2g n ALA 229 Ca 0.52 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1u2g n ALA 229 Cb 0.29 0.12 0.06 0.00 0.00 0.00 0.00 19.45 19.92 1u2g n ALA 229 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u2g s GLU 230 N -2.25 2.75 0.08 0.00 2.02 -1.26 -3.69 118.70 116.35 1u2g s GLU 230 Ca -0.11 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1u2g s GLU 230 Cb 0.04 -1.98 -0.00 0.00 0.10 0.00 0.00 34.13 32.29 1u2g s GLU 230 CO 0.35 -1.20 0.01 0.25 0.02 0.00 0.00 175.26 174.69 1u2g n THR 231 N -3.18 0.00 0.07 3.63 -2.24 -0.64 -4.93 114.28 106.99 1u2g n THR 231 Ca 0.07 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.49 1u2g n THR 231 Cb 0.54 0.10 0.48 0.00 -2.10 0.00 0.00 70.33 69.35 1u2g n THR 231 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u2g h ALA 232 N 1.06 1.76 -0.50 6.98 0.00 -1.99 -2.86 119.26 123.72 1u2g h ALA 232 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u2g h ALA 232 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u2g h ALA 232 CO 0.11 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1u2g n GLY 233 N -1.44 3.07 2.05 0.00 0.00 -1.26 -4.95 105.19 102.66 1u2g n GLY 233 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 1u2g n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2g n GLY 234 N 0.60 0.32 3.77 -0.02 0.00 -1.08 -4.96 105.19 103.83 1u2g n GLY 234 Ca 0.22 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1u2g n GLY 234 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u2g s TYR 235 N -2.12 2.90 0.67 1.61 1.51 -1.26 -4.82 117.35 115.83 1u2g s TYR 235 Ca 0.00 -0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1u2g s TYR 235 Cb 0.00 -1.47 0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1u2g s TYR 235 CO 0.00 0.44 0.97 0.00 -1.11 0.00 0.00 175.55 175.86 1u2g s ALA 236 N -2.27 3.24 0.38 3.71 0.00 -1.26 -1.63 121.76 123.94 1u2g s ALA 236 Ca 0.35 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1u2g s ALA 236 Cb -0.06 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1u2g s ALA 236 CO 0.24 -1.16 0.07 -1.59 0.00 0.00 0.00 175.76 173.31 1u2g s LYS 237 N -5.16 1.84 -0.31 0.00 -2.85 -1.24 -4.66 119.74 107.35 1u2g s LYS 237 Ca 0.59 -2.08 -0.29 0.00 -1.00 0.00 0.00 55.97 53.19 1u2g s LYS 237 Cb -0.11 -0.96 -0.02 0.00 -2.06 0.00 0.00 37.83 34.69 1u2g s LYS 237 CO 0.44 -0.28 1.68 -1.21 0.10 0.00 0.00 175.35 176.09 1u2g s GLU 238 N -3.82 3.50 0.18 1.78 2.02 -1.26 -4.89 118.70 116.21 1u2g s GLU 238 Ca 0.29 1.41 0.09 0.00 0.02 0.00 0.00 54.97 56.77 1u2g s GLU 238 Cb 0.06 -4.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.14 1u2g s GLU 238 CO 0.14 -1.66 1.39 0.52 0.02 0.00 0.00 175.26 175.67 1u2g h MET 239 N 11.93 0.00 0.00 1.61 2.86 -2.00 -3.50 114.93 125.82 1u2g h MET 239 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1u2g h MET 239 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1u2g h MET 239 CO 1.03 0.85 0.00 0.41 1.06 0.00 0.00 176.91 180.26 1u2g n GLY 240 N 1.03 1.19 0.15 8.32 0.00 -1.26 -4.57 105.19 110.05 1u2g n GLY 240 Ca -0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 1u2g n GLY 240 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u2g h GLU 241 N 0.00 0.30 -0.21 1.61 4.57 -1.99 -2.88 114.58 115.98 1u2g h GLU 241 Ca 0.00 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1u2g h GLU 241 Cb 0.00 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1u2g h GLU 241 CO 0.00 0.94 0.11 1.49 -1.18 0.00 0.00 179.01 180.37 1u2g h GLU 242 N 0.19 0.29 -0.04 1.92 4.81 -2.01 -2.50 114.58 117.23 1u2g h GLU 242 Ca -0.04 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1u2g h GLU 242 Cb 1.38 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1u2g h GLU 242 CO 0.13 0.30 -0.33 0.35 -0.73 0.00 0.00 179.01 178.72 1u2g h PHE 243 N 0.22 0.09 -0.41 0.92 3.57 -1.80 -2.68 116.94 116.85 1u2g h PHE 243 Ca 0.07 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1u2g h PHE 243 Cb 0.09 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1u2g h PHE 243 CO -0.03 0.41 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.36 1u2g h ARG 244 N 0.07 0.66 -0.16 1.11 2.43 -1.24 0.11 114.38 117.36 1u2g h ARG 244 Ca 0.01 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1u2g h ARG 244 Cb 0.63 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1u2g h ARG 244 CO 0.05 0.68 -0.31 0.87 -1.51 0.00 0.00 179.97 179.75 1u2g h LYS 245 N 0.62 0.49 -0.82 0.20 1.57 -1.32 -1.76 116.57 115.54 1u2g h LYS 245 Ca 0.13 -0.31 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1u2g h LYS 245 Cb 0.41 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 1u2g h LYS 245 CO 0.02 0.92 0.47 0.87 -0.57 0.00 0.00 179.45 181.15 1u2g h LYS 246 N 0.12 0.75 -0.11 3.15 1.79 -1.16 -2.15 116.57 118.96 1u2g h LYS 246 Ca 0.01 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1u2g h LYS 246 Cb 0.90 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1u2g h LYS 246 CO 0.07 0.49 -0.08 0.37 -1.08 0.00 0.00 179.45 179.22 1u2g h GLN 247 N 0.77 0.24 -0.83 3.15 4.15 -0.79 -2.92 115.11 118.88 1u2g h GLN 247 Ca 0.40 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.77 1u2g h GLN 247 Cb 0.39 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1u2g h GLN 247 CO -0.26 0.63 0.54 0.00 -1.93 0.00 0.00 178.83 177.81 1u2g h ALA 248 N 0.61 1.58 -0.07 3.38 0.00 -1.11 -1.31 119.26 122.34 1u2g h ALA 248 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1u2g h ALA 248 Cb 0.57 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1u2g h ALA 248 CO 0.02 0.31 -0.08 1.49 0.00 0.00 0.00 179.25 180.99 1u2g h GLU 249 N 0.93 0.17 -0.33 0.00 4.57 -1.41 -1.90 114.58 116.61 1u2g h GLU 249 Ca 0.35 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1u2g h GLU 249 Cb 0.19 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1u2g h GLU 249 CO -0.12 0.63 0.02 0.00 -1.18 0.00 0.00 179.01 178.36 1u2g h ALA 250 N 0.54 1.43 -0.02 2.92 0.00 -1.35 -2.73 119.26 120.04 1u2g h ALA 250 Ca 0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1u2g h ALA 250 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1u2g h ALA 250 CO 0.02 0.41 -0.74 0.28 0.00 0.00 0.00 179.25 179.22 1u2g h VAL 251 N 0.49 1.47 -0.64 0.00 2.07 -1.24 -3.35 116.25 115.05 1u2g h VAL 251 Ca 0.11 -2.37 0.11 0.00 0.82 0.00 0.00 66.70 65.38 1u2g h VAL 251 Cb 0.28 2.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 1u2g h VAL 251 CO 0.01 0.69 0.20 0.25 0.02 0.00 0.00 177.57 178.74 1u2g h LEU 252 N 0.09 0.15 -0.80 2.57 5.85 -1.01 -0.06 115.31 122.09 1u2g h LEU 252 Ca -0.02 0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1u2g h LEU 252 Cb 1.30 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.32 1u2g h LEU 252 CO 0.11 0.08 0.32 0.11 -0.34 0.00 0.00 178.44 178.71 1u2g h LYS 253 N 0.36 0.41 0.06 1.25 1.57 -1.70 -2.12 116.57 116.40 1u2g h LYS 253 Ca 0.34 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.79 1u2g h LYS 253 Cb 0.47 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1u2g h LYS 253 CO -0.37 0.27 -1.66 0.93 -0.57 0.00 0.00 179.45 178.05 1u2g h GLU 254 N 0.42 0.13 -0.05 3.15 4.39 -1.63 -3.38 114.58 117.62 1u2g h GLU 254 Ca 0.46 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 1u2g h GLU 254 Cb 0.76 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1u2g h GLU 254 CO -0.45 0.87 -0.25 1.25 -1.16 0.00 0.00 179.01 179.27 1u2g h LEU 255 N 0.04 0.09 -1.32 1.33 5.85 -0.56 0.47 115.31 121.20 1u2g h LEU 255 Ca -0.28 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1u2g h LEU 255 Cb 2.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 1u2g h LEU 255 CO 0.11 0.34 -0.07 -0.37 -0.34 0.00 0.00 178.44 178.12 1u2g h VAL 256 N 0.08 0.17 -0.01 1.05 -1.51 -1.57 -2.74 116.25 111.73 1u2g h VAL 256 Ca 0.01 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1u2g h VAL 256 Cb 0.49 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1u2g h VAL 256 CO 0.03 0.07 -0.54 0.29 -1.23 0.00 0.00 177.57 176.19 1u2g n LYS 257 N -3.19 0.92 -2.69 5.19 5.02 -0.39 -4.31 118.16 118.70 1u2g n LYS 257 Ca 0.01 -0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 55.15 1u2g n LYS 257 Cb 0.35 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1u2g n LYS 257 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1u2g s THR 258 N -2.59 4.25 -0.20 -0.18 2.01 0.02 -4.69 115.64 114.25 1u2g s THR 258 Ca 0.17 1.98 -0.10 0.00 0.31 0.00 0.00 61.69 64.05 1u2g s THR 258 Cb 0.18 -4.27 -0.20 0.00 0.01 0.00 0.00 72.50 68.23 1u2g s THR 258 CO 0.62 0.36 0.06 0.47 -0.69 0.00 0.00 174.62 175.44 1u2g n ASP 259 N 2.31 1.99 -4.08 3.53 8.00 0.40 -4.61 116.55 124.10 1u2g n ASP 259 Ca 0.01 0.21 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 1u2g n ASP 259 Cb 0.48 -0.78 -0.16 0.00 -0.02 0.00 0.00 41.12 40.63 1u2g n ASP 259 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u2g s ILE 260 N -2.49 1.77 -0.24 0.53 -1.09 -0.87 -0.70 121.20 118.11 1u2g s ILE 260 Ca -0.30 -0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 57.29 1u2g s ILE 260 Cb 0.09 -1.61 -0.01 0.00 -1.58 0.00 0.00 42.46 39.34 1u2g s ILE 260 CO 0.63 0.49 -0.00 0.00 -1.23 0.00 0.00 174.94 174.83 1u2g s ALA 261 N 1.21 2.92 -0.24 9.38 0.00 0.60 -0.91 121.76 134.72 1u2g s ALA 261 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 1u2g s ALA 261 Cb -0.14 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1u2g s ALA 261 CO -0.08 -0.54 0.01 0.42 0.00 0.00 0.00 175.76 175.58 1u2g s ILE 262 N 1.50 3.80 -0.17 0.00 1.01 -0.12 -0.03 121.20 127.19 1u2g s ILE 262 Ca 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1u2g s ILE 262 Cb -0.15 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1u2g s ILE 262 CO -0.01 0.37 -0.07 0.42 0.00 0.00 0.00 174.94 175.65 1u2g s THR 263 N 1.54 3.41 -0.02 2.92 -4.23 -0.29 -0.18 115.64 118.79 1u2g s THR 263 Ca 0.06 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 1u2g s THR 263 Cb -0.15 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.24 1u2g s THR 263 CO -0.00 0.48 0.83 0.35 -0.54 0.00 0.00 174.62 175.74 1u2g n THR 264 N 3.99 0.56 -2.63 3.99 -2.24 -0.43 -0.96 114.28 116.57 1u2g n THR 264 Ca -0.18 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.57 1u2g n THR 264 Cb 0.52 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1u2g n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u2g s ALA 265 N -0.70 3.23 0.05 6.98 0.00 -1.25 -4.83 121.76 125.23 1u2g s ALA 265 Ca 0.05 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1u2g s ALA 265 Cb 0.04 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1u2g s ALA 265 CO 0.00 -0.29 -0.13 -0.51 0.00 0.00 0.00 175.76 174.84 1u2g s LEU 266 N 1.01 2.20 -0.09 0.00 1.02 -1.26 -4.42 118.68 117.14 1u2g s LEU 266 Ca 0.54 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1u2g s LEU 266 Cb -0.23 -0.52 0.02 0.00 0.02 0.00 0.00 46.19 45.48 1u2g s LEU 266 CO 0.28 -0.02 -0.09 -0.63 0.02 0.00 0.00 176.35 175.92 1u2g s ILE 267 N -0.99 1.00 0.26 -0.59 1.01 -1.26 -4.68 121.20 115.95 1u2g s ILE 267 Ca -0.01 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 1u2g s ILE 267 Cb -0.08 -0.99 -0.12 0.00 0.01 0.00 0.00 42.46 41.28 1u2g s ILE 267 CO 0.01 0.35 1.65 -2.16 0.00 0.00 0.00 174.94 174.79 1u2g s PRO 268 N 1.32 4.12 0.00 2.79 0.04 -1.26 -1.99 135.00 140.02 1u2g s PRO 268 Ca -0.03 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1u2g s PRO 268 Cb -0.14 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1u2g s PRO 268 CO -0.04 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1u2g n GLY 269 N 2.87 0.39 3.24 0.56 0.00 -1.26 -4.98 105.19 106.01 1u2g n GLY 269 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1u2g n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2g s LYS 270 N -0.66 1.05 0.63 1.61 -0.14 -0.84 -5.14 119.74 116.24 1u2g s LYS 270 Ca 0.00 -1.46 -0.18 0.00 -1.36 0.00 0.00 55.97 52.97 1u2g s LYS 270 Cb 0.00 -0.49 -0.02 0.00 -1.68 0.00 0.00 37.83 35.64 1u2g s LYS 270 CO 0.00 0.01 1.26 -2.14 -0.76 0.00 0.00 175.35 173.72 1u2g s PRO 271 N -3.80 2.69 0.31 -1.68 0.02 -1.26 -4.60 135.00 126.67 1u2g s PRO 271 Ca 0.18 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 1u2g s PRO 271 Cb 0.04 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 1u2g s PRO 271 CO 0.01 -1.47 1.38 0.00 -0.33 0.00 0.00 177.00 176.59 1u2g s ALA 272 N -1.49 3.55 0.36 -1.55 0.00 -0.53 -4.64 121.76 117.47 1u2g s ALA 272 Ca 0.80 1.32 -0.27 0.00 0.00 0.00 0.00 51.96 53.82 1u2g s ALA 272 Cb -0.35 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.16 1u2g s ALA 272 CO 0.37 -0.73 1.19 -1.25 0.00 0.00 0.00 175.76 175.34 1u2g s PRO 273 N -1.29 4.26 -0.25 0.00 0.04 -1.26 -4.65 135.00 131.85 1u2g s PRO 273 Ca 0.53 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 1u2g s PRO 273 Cb -0.41 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1u2g s PRO 273 CO 0.50 -0.16 1.15 0.08 0.04 0.00 0.00 177.00 178.61 1u2g s VAL 274 N -1.29 4.43 -0.07 -0.36 1.01 -1.26 -4.24 120.40 118.63 1u2g s VAL 274 Ca 0.52 1.69 0.07 0.00 0.00 0.00 0.00 61.98 64.26 1u2g s VAL 274 Cb -0.33 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.72 1u2g s VAL 274 CO 0.43 -0.31 0.04 0.18 0.00 0.00 0.00 175.10 175.44 1u2g n LEU 275 N 6.79 0.00 -3.79 3.92 4.77 0.04 -4.90 117.00 123.83 1u2g n LEU 275 Ca 0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 1u2g n LEU 275 Cb 0.46 0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1u2g n LEU 275 CO 0.57 0.17 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.83 1u2g s ILE 276 N -2.22 1.08 0.88 -0.08 1.01 -0.97 -4.89 121.20 116.00 1u2g s ILE 276 Ca -0.04 -1.44 -0.12 0.00 0.00 0.00 0.00 60.65 59.05 1u2g s ILE 276 Cb 0.03 -1.76 0.12 0.00 0.01 0.00 0.00 42.46 40.86 1u2g s ILE 276 CO 0.31 -0.58 1.15 0.42 0.00 0.00 0.00 174.94 176.24 1u2g s THR 277 N 1.53 2.03 0.38 2.92 -4.23 -1.26 -4.11 115.64 112.89 1u2g s THR 277 Ca 0.08 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1u2g s THR 277 Cb -0.18 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1u2g s THR 277 CO -0.20 -0.01 2.03 -0.08 -0.54 0.00 0.00 174.62 175.81 1u2g h GLU 278 N -1.35 0.69 -0.57 3.99 4.81 -1.98 -1.92 114.58 118.25 1u2g h GLU 278 Ca -0.49 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1u2g h GLU 278 Cb 1.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1u2g h GLU 278 CO 0.63 0.46 0.18 1.49 -0.73 0.00 0.00 179.01 181.04 1u2g h GLU 279 N 0.71 0.85 0.00 1.92 4.81 -2.01 -2.80 114.58 118.05 1u2g h GLU 279 Ca 0.21 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1u2g h GLU 279 Cb -0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1u2g h GLU 279 CO -0.05 0.73 -0.53 0.52 -0.73 0.00 0.00 179.01 178.95 1u2g h MET 280 N 0.82 0.00 0.00 1.92 2.86 -1.71 -2.94 114.93 115.88 1u2g h MET 280 Ca 0.19 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1u2g h MET 280 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1u2g h MET 280 CO -0.01 0.53 -0.19 -0.24 1.06 0.00 0.00 176.91 178.06 1u2g h VAL 281 N 0.00 0.37 0.00 -2.22 3.04 -1.28 -2.84 116.25 113.32 1u2g h VAL 281 Ca -0.01 -1.29 -0.02 0.00 -1.01 0.00 0.00 66.70 64.38 1u2g h VAL 281 Cb 0.98 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1u2g h VAL 281 CO 0.07 0.19 -0.08 0.71 -1.01 0.00 0.00 177.57 177.44 1u2g h THR 282 N 0.00 0.98 -0.00 3.17 1.35 -1.31 -2.63 112.91 114.46 1u2g h THR 282 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1u2g h THR 282 Cb 0.98 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1u2g h THR 282 CO 0.02 0.08 -0.29 0.29 -0.25 0.00 0.00 175.52 175.38 1u2g n LYS 283 N -4.33 0.55 -2.68 4.72 4.76 -1.07 -4.92 118.16 115.19 1u2g n LYS 283 Ca -0.03 -0.30 -0.32 0.00 -2.87 0.00 0.00 58.31 54.80 1u2g n LYS 283 Cb 0.16 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1u2g n LYS 283 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1u2g s MET 284 N -2.65 3.93 0.63 1.97 -1.94 -0.99 -4.60 119.30 115.64 1u2g s MET 284 Ca 0.21 0.79 -0.18 0.00 -1.71 0.00 0.00 55.69 54.79 1u2g s MET 284 Cb 0.19 -2.26 -0.02 0.00 2.01 0.00 0.00 34.83 34.75 1u2g s MET 284 CO 0.56 -0.12 1.24 0.15 -0.01 0.00 0.00 175.02 176.84 1u2g s LYS 285 N -3.77 2.73 0.30 2.03 1.02 -1.26 -4.98 119.74 115.82 1u2g s LYS 285 Ca 0.56 1.90 -0.29 0.00 0.02 0.00 0.00 55.97 58.16 1u2g s LYS 285 Cb -0.10 -1.89 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 1u2g s LYS 285 CO 0.27 -1.41 1.24 -1.25 -0.92 0.00 0.00 175.35 173.28 1u2g s PRO 286 N -3.42 4.45 0.00 -1.68 0.04 -1.26 -2.67 135.00 130.47 1u2g s PRO 286 Ca 0.79 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1u2g s PRO 286 Cb -0.33 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1u2g s PRO 286 CO 0.37 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1u2g n GLY 287 N 1.07 0.95 3.77 0.56 0.00 -0.18 -5.04 105.19 106.32 1u2g n GLY 287 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1u2g n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u2g s SER 288 N -2.91 5.16 -0.04 1.61 0.01 -1.09 -4.63 113.70 111.80 1u2g s SER 288 Ca 0.00 2.00 0.04 0.00 1.31 0.00 0.00 55.95 59.29 1u2g s SER 288 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1u2g s SER 288 CO 0.00 -1.60 -0.15 -0.69 0.41 0.00 0.00 173.24 171.21 1u2g s VAL 289 N -2.33 1.25 -0.19 3.43 1.01 0.13 -1.52 120.40 122.18 1u2g s VAL 289 Ca 0.67 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1u2g s VAL 289 Cb -0.20 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1u2g s VAL 289 CO 0.41 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 175.17 1u2g s ILE 290 N 0.14 3.26 -0.45 2.22 1.01 0.44 -0.29 121.20 127.51 1u2g s ILE 290 Ca -0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1u2g s ILE 290 Cb -0.11 -2.44 0.08 0.00 0.01 0.00 0.00 42.46 40.00 1u2g s ILE 290 CO 0.02 0.47 0.34 -0.63 0.00 0.00 0.00 174.94 175.14 1u2g s ILE 291 N 1.04 4.77 -0.83 2.92 -1.09 0.96 -0.08 121.20 128.89 1u2g s ILE 291 Ca 0.00 -1.25 -0.17 0.00 -2.23 0.00 0.00 60.65 57.00 1u2g s ILE 291 Cb -0.15 -3.90 0.16 0.00 -1.58 0.00 0.00 42.46 36.99 1u2g s ILE 291 CO -0.01 -0.57 0.92 -0.62 -1.23 0.00 0.00 174.94 173.43 1u2g s ASP 292 N 2.44 6.58 0.05 3.58 -1.08 -0.32 -1.14 116.67 126.79 1u2g s ASP 292 Ca 0.04 -2.14 0.20 0.00 -0.52 0.00 0.00 52.55 50.13 1u2g s ASP 292 Cb -0.24 -2.31 0.83 0.00 -1.46 0.00 0.00 42.92 39.73 1u2g s ASP 292 CO 0.04 -0.91 1.63 0.18 0.52 0.00 0.00 175.17 176.63 1u2g n LEU 293 N 5.62 0.16 -1.92 -1.34 4.77 -0.13 -2.87 117.00 121.29 1u2g n LEU 293 Ca 0.14 0.53 0.01 0.00 -0.03 0.00 0.00 56.01 56.65 1u2g n LEU 293 Cb 0.47 -0.50 0.35 0.00 -2.33 0.00 0.00 43.42 41.41 1u2g n LEU 293 CO 0.46 -0.24 0.94 0.00 -1.33 0.00 0.00 177.39 177.22 1u2g n ALA 294 N -1.56 4.19 -0.13 -1.18 0.00 -1.24 -4.66 120.51 115.92 1u2g n ALA 294 Ca 0.04 -2.04 -0.08 0.00 0.00 0.00 0.00 53.44 51.35 1u2g n ALA 294 Cb 0.23 -1.19 0.07 0.00 0.00 0.00 0.00 19.45 18.56 1u2g n ALA 294 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1u2g h VAL 295 N 3.29 1.27 0.00 0.00 3.04 -1.86 0.21 116.25 122.20 1u2g h VAL 295 Ca 0.12 -1.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 1u2g h VAL 295 Cb 2.12 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 32.45 1u2g h VAL 295 CO 0.60 0.44 0.00 -0.33 -1.01 0.00 0.00 177.57 177.27 1u2g h GLU 296 N 0.79 0.00 -0.66 4.17 5.08 -1.88 -2.41 114.58 119.68 1u2g h GLU 296 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1u2g h GLU 296 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1u2g h GLU 296 CO 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1u2g n ALA 297 N -2.06 3.15 0.00 3.43 0.00 -0.93 -4.92 120.51 119.18 1u2g n ALA 297 Ca -0.00 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1u2g n ALA 297 Cb 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1u2g n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2g n GLY 298 N 1.10 2.75 0.00 0.00 0.00 -0.91 -1.45 105.19 106.68 1u2g n GLY 298 Ca 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1u2g n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2g n GLY 299 N 0.00 2.26 0.18 -0.02 0.00 0.70 -4.84 105.19 103.47 1u2g n GLY 299 Ca 0.00 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1u2g n GLY 299 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u2g h ASN 300 N 0.00 0.00 -3.24 1.61 -0.26 -1.76 -3.42 115.58 108.52 1u2g h ASN 300 Ca 0.00 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.13 1u2g h ASN 300 Cb 0.00 0.00 -0.34 0.00 -1.06 0.00 0.00 38.32 36.92 1u2g h ASN 300 CO 0.00 0.00 -0.85 0.00 -1.06 0.00 0.00 177.43 175.52 1u2g n PRO 302 N 4.19 0.16 0.03 0.00 -0.04 -1.26 -1.83 135.00 136.25 1u2g n PRO 302 Ca -0.19 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1u2g n PRO 302 Cb 0.51 -1.80 0.56 0.00 -0.04 0.00 0.00 33.50 32.73 1u2g n PRO 302 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u2g n LEU 303 N -2.10 0.20 -4.77 1.53 4.77 -1.26 -4.86 117.00 110.51 1u2g n LEU 303 Ca 0.03 0.52 -0.40 0.00 -0.03 0.00 0.00 56.01 56.12 1u2g n LEU 303 Cb 0.23 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1u2g n LEU 303 CO 0.19 -0.06 1.08 -0.44 -1.33 0.00 0.00 177.39 176.83 1u2g s SER 304 N -3.38 6.18 -0.06 -1.43 0.01 -0.76 -4.84 113.70 109.43 1u2g s SER 304 Ca 0.13 2.93 -0.00 0.00 1.31 0.00 0.00 55.95 60.31 1u2g s SER 304 Cb 0.17 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.77 1u2g s SER 304 CO 0.54 -0.97 -0.03 -1.61 0.41 0.00 0.00 173.24 171.58 1u2g s GLU 305 N -2.23 0.79 0.17 12.44 2.02 -1.26 -5.02 118.70 125.61 1u2g s GLU 305 Ca 0.56 -0.02 -0.33 0.00 0.02 0.00 0.00 54.97 55.20 1u2g s GLU 305 Cb -0.44 -0.96 -0.13 0.00 0.10 0.00 0.00 34.13 32.70 1u2g s GLU 305 CO 0.58 -0.20 1.63 -0.35 0.02 0.00 0.00 175.26 176.94 1u2g n PRO 306 N 4.62 2.35 -0.92 0.39 -0.04 -1.26 -2.15 135.00 138.00 1u2g n PRO 306 Ca -0.16 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 1u2g n PRO 306 Cb 0.50 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1u2g n PRO 306 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u2g n GLY 307 N 3.62 0.70 3.20 0.55 0.00 0.53 -4.92 105.19 108.86 1u2g n GLY 307 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1u2g n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2g s LYS 308 N -0.08 0.90 -0.38 1.61 1.02 -0.91 -4.92 119.74 116.97 1u2g s LYS 308 Ca 0.00 -1.16 -0.12 0.00 0.02 0.00 0.00 55.97 54.71 1u2g s LYS 308 Cb 0.00 -0.68 0.03 0.00 -0.52 0.00 0.00 37.83 36.65 1u2g s LYS 308 CO 0.00 0.12 0.23 0.42 -0.92 0.00 0.00 175.35 175.20 1u2g s ILE 309 N -2.21 4.73 0.01 2.17 1.01 -1.26 -2.23 121.20 123.43 1u2g s ILE 309 Ca 0.06 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 1u2g s ILE 309 Cb -0.04 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 1u2g s ILE 309 CO 0.01 -0.25 0.55 -0.69 0.00 0.00 0.00 174.94 174.56 1u2g s VAL 310 N 1.58 4.89 -0.19 2.92 1.01 0.18 -4.93 120.40 125.86 1u2g s VAL 310 Ca 0.03 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1u2g s VAL 310 Cb -0.19 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1u2g s VAL 310 CO 0.07 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.84 1u2g s VAL 311 N -0.55 2.72 -0.26 2.92 1.01 -1.26 0.07 120.40 125.05 1u2g s VAL 311 Ca 0.29 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1u2g s VAL 311 Cb -0.18 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.08 1u2g s VAL 311 CO 0.17 0.49 0.66 -0.75 0.00 0.00 0.00 175.10 175.66 1u2g s LYS 312 N 1.26 0.71 -1.55 2.72 2.20 -0.85 -4.92 119.74 119.30 1u2g s LYS 312 Ca 0.03 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1u2g s LYS 312 Cb -0.14 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1u2g s LYS 312 CO -0.06 -0.13 0.00 0.72 -0.36 0.00 0.00 175.35 175.52 1u2g n HIS 313 N 3.67 -0.79 -1.19 4.03 8.25 -1.26 -1.87 115.22 126.06 1u2g n HIS 313 Ca -0.18 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.22 1u2g n HIS 313 Cb 0.57 -3.52 -0.03 0.00 1.12 0.00 0.00 29.99 28.14 1u2g n HIS 313 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u2g n GLY 314 N -1.00 0.86 3.03 -1.41 0.00 -1.26 -4.82 105.19 100.59 1u2g n GLY 314 Ca -0.21 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1u2g n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2g s VAL 315 N -2.17 1.25 -0.27 1.61 1.01 -0.78 -1.01 120.40 120.04 1u2g s VAL 315 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1u2g s VAL 315 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1u2g s VAL 315 CO 0.00 0.39 1.04 -0.54 0.00 0.00 0.00 175.10 175.99 1u2g s LYS 316 N 0.82 4.18 -0.32 2.72 1.02 -0.58 -2.01 119.74 125.56 1u2g s LYS 316 Ca -0.11 1.23 -0.07 0.00 0.02 0.00 0.00 55.97 57.04 1u2g s LYS 316 Cb -0.15 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.50 1u2g s LYS 316 CO 0.02 -0.73 0.11 0.42 -0.92 0.00 0.00 175.35 174.24 1u2g s ILE 317 N 3.36 3.97 -0.19 2.17 1.09 0.11 -0.42 121.20 131.29 1u2g s ILE 317 Ca 0.44 -0.90 -0.08 0.00 -1.10 0.00 0.00 60.65 59.01 1u2g s ILE 317 Cb -0.14 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.06 1u2g s ILE 317 CO 0.10 -0.07 0.09 -0.69 -0.10 0.00 0.00 174.94 174.26 1u2g s VAL 318 N 1.46 5.00 -0.37 2.92 1.01 0.88 -0.65 120.40 130.66 1u2g s VAL 318 Ca 0.01 0.04 0.13 0.00 0.00 0.00 0.00 61.98 62.16 1u2g s VAL 318 Cb -0.18 -3.27 0.37 0.00 0.00 0.00 0.00 36.38 33.30 1u2g s VAL 318 CO 0.03 0.45 0.79 0.61 0.00 0.00 0.00 175.10 176.98 1u2g n GLY 319 N 3.54 3.38 3.78 4.51 0.00 -0.95 -1.17 105.19 118.28 1u2g n GLY 319 Ca -0.16 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1u2g n GLY 319 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u2g s HIS 320 N -2.62 2.56 0.42 1.61 3.76 -1.26 -0.34 115.29 119.41 1u2g s HIS 320 Ca 0.38 1.13 -0.13 0.00 -0.15 0.00 0.00 55.06 56.30 1u2g s HIS 320 Cb 0.37 -4.05 -0.07 0.00 1.11 0.00 0.00 32.58 29.93 1u2g s HIS 320 CO -0.06 -3.10 0.82 0.95 -0.85 0.00 0.00 174.74 172.49 1u2g s THR 321 N -1.07 4.71 -1.16 1.30 -4.23 -1.26 -4.53 115.64 109.41 1u2g s THR 321 Ca 0.53 0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 61.68 1u2g s THR 321 Cb -0.47 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.64 1u2g s THR 321 CO 0.63 -0.51 0.78 -3.20 -0.54 0.00 0.00 174.62 171.78 1u2g n ASN 322 N -1.23 -4.88 -0.28 3.99 2.85 -1.26 -4.88 115.26 109.57 1u2g n ASN 322 Ca 0.03 -0.97 -0.02 0.00 -0.11 0.00 0.00 54.58 53.52 1u2g n ASN 322 Cb 0.54 -3.61 0.16 0.00 1.24 0.00 0.00 39.78 38.11 1u2g n ASN 322 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1u2g h VAL 323 N -1.80 1.23 -0.81 3.44 2.07 -1.97 -2.14 116.25 116.27 1u2g h VAL 323 Ca -0.65 -0.52 0.14 0.00 0.82 0.00 0.00 66.70 66.49 1u2g h VAL 323 Cb 1.36 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1u2g h VAL 323 CO 0.49 0.25 0.53 -0.65 0.02 0.00 0.00 177.57 178.21 1u2g h PRO 324 N 1.15 0.51 0.00 1.57 0.11 -1.90 -0.34 132.00 133.10 1u2g h PRO 324 Ca 0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1u2g h PRO 324 Cb -0.03 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1u2g h PRO 324 CO -0.05 0.34 0.00 0.45 -0.21 0.00 0.00 178.00 178.53 1u2g n SER 325 N -4.51 0.69 0.00 -2.05 2.88 -0.81 -1.30 113.62 108.52 1u2g n SER 325 Ca 0.15 0.68 0.13 0.00 -1.33 0.00 0.00 58.87 58.51 1u2g n SER 325 Cb 0.50 -0.82 0.68 0.00 -0.75 0.00 0.00 64.21 63.81 1u2g n SER 325 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1u2g n ARG 326 N -2.28 0.34 -2.41 -1.46 1.74 -0.14 -2.96 116.66 109.50 1u2g n ARG 326 Ca 0.02 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.94 1u2g n ARG 326 Cb 0.21 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1u2g n ARG 326 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u2g n VAL 327 N -1.31 2.01 0.13 1.55 0.31 -0.42 -4.96 118.33 115.63 1u2g n VAL 327 Ca 0.12 -4.01 0.07 0.00 -0.01 0.00 0.00 64.34 60.51 1u2g n VAL 327 Cb 0.23 -0.44 0.54 0.00 -0.91 0.00 0.00 33.84 33.26 1u2g n VAL 327 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u2g h ALA 328 N 2.51 1.88 0.00 3.52 0.00 -1.51 0.59 119.26 126.25 1u2g h ALA 328 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u2g h ALA 328 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u2g h ALA 328 CO 0.64 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 1u2g h ALA 329 N 1.87 0.99 0.06 0.00 0.00 -1.76 -0.93 119.26 119.50 1u2g h ALA 329 Ca 0.08 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 1u2g h ALA 329 Cb 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1u2g h ALA 329 CO -0.02 0.01 -2.21 -0.25 0.00 0.00 0.00 179.25 176.79 1u2g n ASP 330 N -3.10 1.91 -0.20 0.00 8.00 -0.78 -4.44 116.55 117.94 1u2g n ASP 330 Ca 0.03 0.06 -0.02 0.00 0.71 0.00 0.00 54.79 55.57 1u2g n ASP 330 Cb 0.46 -0.55 0.19 0.00 -0.02 0.00 0.00 41.12 41.20 1u2g n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u2g h ALA 331 N 0.13 1.27 0.31 2.24 0.00 -0.87 -3.17 119.26 119.17 1u2g h ALA 331 Ca -0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1u2g h ALA 331 Cb 1.99 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1u2g h ALA 331 CO 0.01 0.55 -0.15 0.77 0.00 0.00 0.00 179.25 180.43 1u2g h SER 332 N 0.96 -0.35 -0.45 0.00 0.02 -1.39 -0.40 113.55 111.92 1u2g h SER 332 Ca 0.23 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1u2g h SER 332 Cb 0.13 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1u2g h SER 332 CO -0.03 -0.01 0.31 1.55 -1.14 0.00 0.00 176.83 177.51 1u2g h PRO 333 N -0.73 0.27 -0.03 3.45 0.13 -1.77 -0.26 132.00 133.04 1u2g h PRO 333 Ca -0.04 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.84 1u2g h PRO 333 Cb 0.50 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.57 1u2g h PRO 333 CO 0.07 0.18 -0.91 -0.07 -0.23 0.00 0.00 178.00 177.04 1u2g h LEU 334 N 0.28 0.65 -0.47 1.56 3.38 -1.50 -2.19 115.31 117.02 1u2g h LEU 334 Ca 0.21 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1u2g h LEU 334 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1u2g h LEU 334 CO -0.04 1.28 0.08 0.15 0.09 0.00 0.00 178.44 179.99 1u2g h PHE 335 N 0.31 0.82 -0.54 1.13 3.57 -0.59 -1.33 116.94 120.31 1u2g h PHE 335 Ca -0.08 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1u2g h PHE 335 Cb 1.53 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1u2g h PHE 335 CO 0.07 0.76 0.34 0.00 -2.23 0.00 0.00 178.31 177.26 1u2g h ALA 336 N 0.96 1.59 -0.03 2.41 0.00 -1.06 -2.53 119.26 120.60 1u2g h ALA 336 Ca 0.14 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1u2g h ALA 336 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u2g h ALA 336 CO 0.01 0.37 -0.83 0.87 0.00 0.00 0.00 179.25 179.67 1u2g h LYS 337 N 0.74 0.32 -0.57 0.00 1.57 -1.17 -2.33 116.57 115.13 1u2g h LYS 337 Ca 0.20 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1u2g h LYS 337 Cb -0.06 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1u2g h LYS 337 CO -0.04 0.99 0.32 -0.91 -0.57 0.00 0.00 179.45 179.23 1u2g h ASN 338 N 0.20 0.48 -0.38 0.86 2.35 -0.86 -1.52 115.58 116.70 1u2g h ASN 338 Ca -0.05 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1u2g h ASN 338 Cb 1.44 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 1u2g h ASN 338 CO 0.14 0.33 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.12 1u2g h LEU 339 N 0.61 0.71 -0.54 1.61 3.38 -1.45 -2.48 115.31 117.15 1u2g h LEU 339 Ca 0.24 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1u2g h LEU 339 Cb 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1u2g h LEU 339 CO -0.14 0.89 0.35 0.25 0.09 0.00 0.00 178.44 179.88 1u2g h LEU 340 N 0.52 0.61 -1.22 1.67 5.85 -1.24 -0.30 115.31 121.20 1u2g h LEU 340 Ca 0.10 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1u2g h LEU 340 Cb 0.56 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1u2g h LEU 340 CO 0.03 0.44 -0.17 0.78 -0.34 0.00 0.00 178.44 179.18 1u2g h ASN 341 N 0.72 0.32 0.07 1.25 2.35 -1.25 0.12 115.58 119.17 1u2g h ASN 341 Ca 0.20 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 1u2g h ASN 341 Cb -0.07 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1u2g h ASN 341 CO -0.05 0.52 -0.65 0.15 -1.65 0.00 0.00 177.43 175.75 1u2g h PHE 342 N 0.31 0.71 0.07 1.19 3.57 -0.97 -3.35 116.94 118.47 1u2g h PHE 342 Ca 0.06 -0.28 -0.30 0.00 3.53 0.00 0.00 57.97 60.97 1u2g h PHE 342 Cb 0.48 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1u2g h PHE 342 CO 0.01 1.04 -1.60 1.25 -2.23 0.00 0.00 178.31 176.78 1u2g h LEU 343 N 0.40 0.23 -0.58 0.59 6.46 -0.74 -3.41 115.31 118.26 1u2g h LEU 343 Ca -0.01 -0.38 0.07 0.00 -0.12 0.00 0.00 57.88 57.44 1u2g h LEU 343 Cb 1.22 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.01 1u2g h LEU 343 CO 0.12 1.32 0.25 0.74 -0.62 0.00 0.00 178.44 180.26 1u2g h THR 344 N 0.04 0.85 0.00 1.05 2.02 -0.89 -2.40 112.91 113.58 1u2g h THR 344 Ca -0.26 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1u2g h THR 344 Cb 1.99 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1u2g h THR 344 CO 0.12 0.09 0.00 -0.65 0.37 0.00 0.00 175.52 175.45 1u2g h PRO 345 N 0.47 0.00 -0.27 6.66 0.11 -1.79 -2.94 132.00 134.24 1u2g h PRO 345 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1u2g h PRO 345 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1u2g h PRO 345 CO -0.24 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.27 1u2g n HIS 346 N -2.77 0.34 -2.64 0.65 8.25 -0.90 -4.89 115.22 113.26 1u2g n HIS 346 Ca -0.01 -0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 56.80 1u2g n HIS 346 Cb 0.12 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1u2g n HIS 346 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1u2g s VAL 347 N -1.26 4.04 -0.33 1.59 1.01 -1.11 -2.05 120.40 122.28 1u2g s VAL 347 Ca 0.28 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.59 1u2g s VAL 347 Cb 0.17 -4.73 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1u2g s VAL 347 CO 0.24 -1.42 1.85 -0.62 0.00 0.00 0.00 175.10 175.14 1u2g s ASP 348 N 3.15 5.82 0.04 3.32 -1.08 -0.85 -4.90 116.67 122.17 1u2g s ASP 348 Ca 0.38 1.33 -0.26 0.00 -0.52 0.00 0.00 52.55 53.48 1u2g s ASP 348 Cb -0.09 -2.52 -0.15 0.00 -1.46 0.00 0.00 42.92 38.70 1u2g s ASP 348 CO 0.21 -1.76 1.37 0.11 0.52 0.00 0.00 175.17 175.62 1u2g h LYS 349 N 13.19 -0.91 -1.32 4.34 6.56 -1.92 -3.19 116.57 133.31 1u2g h LYS 349 Ca -0.34 0.06 -0.21 0.00 -1.06 0.00 0.00 60.65 59.10 1u2g h LYS 349 Cb 1.18 0.21 -0.10 0.00 -0.57 0.00 0.00 32.23 32.94 1u2g h LYS 349 CO 1.03 -0.61 0.27 -0.25 -2.06 0.00 0.00 179.45 177.83 1u2g n ASP 350 N -4.60 4.70 0.00 0.86 9.92 -1.26 -2.47 116.55 123.70 1u2g n ASP 350 Ca -0.12 -2.72 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 1u2g n ASP 350 Cb 0.37 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1u2g n ASP 350 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1u2g n THR 351 N 0.29 0.10 -4.00 -3.53 -2.24 -1.21 -5.03 114.28 98.65 1u2g n THR 351 Ca 0.21 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 1u2g n THR 351 Cb 0.73 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 1u2g n THR 351 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u2g n LYS 352 N -0.05 -0.46 -4.10 -0.78 5.02 -1.03 -4.96 118.16 111.80 1u2g n LYS 352 Ca 0.00 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 1u2g n LYS 352 Cb 0.34 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 1u2g n LYS 352 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1u2g s THR 353 N -3.89 0.03 -0.30 -0.18 -1.32 -1.21 -4.72 115.64 104.05 1u2g s THR 353 Ca 0.33 -1.74 0.02 0.00 -1.21 0.00 0.00 61.69 59.09 1u2g s THR 353 Cb -0.19 -2.23 0.07 0.00 -1.51 0.00 0.00 72.50 68.65 1u2g s THR 353 CO 0.76 -0.14 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.78 1u2g s LEU 354 N -3.07 4.03 -0.46 9.08 0.20 -1.26 -2.01 118.68 125.19 1u2g s LEU 354 Ca 0.29 -1.67 -0.06 0.00 0.69 0.00 0.00 54.13 53.37 1u2g s LEU 354 Cb 0.05 -1.61 0.12 0.00 -0.43 0.00 0.00 46.19 44.32 1u2g s LEU 354 CO 0.07 -0.28 0.30 -0.69 -0.29 0.00 0.00 176.35 175.46 1u2g s VAL 355 N 1.05 3.84 -0.65 1.68 1.01 -0.87 -4.98 120.40 121.48 1u2g s VAL 355 Ca -0.01 -1.97 -0.27 0.00 0.00 0.00 0.00 61.98 59.73 1u2g s VAL 355 Cb -0.20 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1u2g s VAL 355 CO -0.05 -0.75 1.51 -0.04 0.00 0.00 0.00 175.10 175.76 1u2g s MET 356 N 1.17 3.03 -0.17 2.72 -1.94 -1.26 -4.70 119.30 118.15 1u2g s MET 356 Ca 0.08 0.22 -0.35 0.00 -1.71 0.00 0.00 55.69 53.93 1u2g s MET 356 Cb -0.24 -4.24 -0.12 0.00 2.01 0.00 0.00 34.83 32.24 1u2g s MET 356 CO -0.02 -2.29 1.94 1.63 -0.01 0.00 0.00 175.02 176.26 1u2g n LYS 357 N 9.14 1.83 0.15 2.03 5.02 -1.26 -4.87 118.16 130.21 1u2g n LYS 357 Ca 0.11 0.64 0.02 0.00 -2.02 0.00 0.00 58.31 57.06 1u2g n LYS 357 Cb 0.50 -2.58 0.21 0.00 -0.02 0.00 0.00 35.03 33.14 1u2g n LYS 357 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1u2g h LEU 358 N 9.85 0.00 -1.20 -0.35 3.38 -1.97 -3.00 115.31 122.02 1u2g h LEU 358 Ca -0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1u2g h LEU 358 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1u2g h LEU 358 CO 0.96 0.52 -0.27 -0.33 0.09 0.00 0.00 178.44 179.42 1u2g h GLU 359 N 0.00 0.00 -6.36 1.13 3.07 -2.00 -3.41 114.58 107.02 1u2g h GLU 359 Ca -0.01 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.31 1u2g h GLU 359 Cb 1.10 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1u2g h GLU 359 CO 0.07 0.27 1.04 0.34 -1.40 0.00 0.00 179.01 179.33 1u2g s ASP 360 N -6.31 6.64 0.55 1.42 -1.08 -1.13 -4.89 116.67 111.86 1u2g s ASP 360 Ca -0.00 2.37 0.34 0.00 -0.52 0.00 0.00 52.55 54.73 1u2g s ASP 360 Cb 0.11 -2.55 1.41 0.00 -1.46 0.00 0.00 42.92 40.43 1u2g s ASP 360 CO 0.65 -0.90 2.00 1.05 0.52 0.00 0.00 175.17 178.48 1u2g h GLU 361 N 8.99 0.00 -0.58 4.34 4.11 -1.89 -0.59 114.58 128.97 1u2g h GLU 361 Ca -0.41 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.95 1u2g h GLU 361 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1u2g h GLU 361 CO 0.94 0.00 0.11 1.15 0.07 0.00 0.00 179.01 181.27 1u2g h THR 362 N 0.00 1.24 0.21 -1.06 2.02 -1.94 -2.14 112.91 111.24 1u2g h THR 362 Ca 0.00 -0.92 -0.32 0.00 0.77 0.00 0.00 66.41 65.94 1u2g h THR 362 Cb 0.49 0.69 0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1u2g h THR 362 CO 0.00 0.34 -1.40 0.58 0.37 0.00 0.00 175.52 175.41 1u2g h VAL 363 N 0.87 1.31 -0.20 3.16 2.07 -1.44 -3.25 116.25 118.77 1u2g h VAL 363 Ca 0.18 -2.69 -0.15 0.00 0.82 0.00 0.00 66.70 64.86 1u2g h VAL 363 Cb 0.36 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1u2g h VAL 363 CO 0.01 0.81 -0.46 0.77 0.02 0.00 0.00 177.57 178.71 1u2g h SER 364 N 0.17 0.75 0.81 0.57 4.64 -1.22 -2.16 113.55 117.11 1u2g h SER 364 Ca -0.23 -0.56 -0.04 0.00 -0.47 0.00 0.00 61.79 60.49 1u2g h SER 364 Cb 2.09 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 1u2g h SER 364 CO 0.26 1.18 -0.19 1.23 -0.87 0.00 0.00 176.83 178.44 1u2g h GLY 365 N 0.36 0.00 0.63 -0.77 0.00 -1.55 -3.28 103.07 98.47 1u2g h GLY 365 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1u2g h GLY 365 CO 0.10 0.00 -1.98 2.41 0.00 0.00 0.00 176.54 177.07 1u2g n THR 366 N -3.42 1.70 -2.14 4.70 -1.04 -1.20 -4.69 114.28 108.18 1u2g n THR 366 Ca -0.00 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.05 60.89 1u2g n THR 366 Cb 0.38 -1.46 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 1u2g n THR 366 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u2g n VAL 368 N 4.50 1.29 -3.83 0.00 0.31 -0.73 -4.02 118.33 115.85 1u2g n VAL 368 Ca 0.13 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.85 1u2g n VAL 368 Cb 0.43 -1.28 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 1u2g n VAL 368 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1u2g s THR 369 N -2.45 0.10 -0.21 2.52 -1.32 -1.24 -1.78 115.64 111.26 1u2g s THR 369 Ca -0.30 -0.82 -0.13 0.00 -1.21 0.00 0.00 61.69 59.23 1u2g s THR 369 Cb 0.08 -0.86 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1u2g s THR 369 CO 0.53 -0.45 0.52 0.00 -2.21 0.00 0.00 174.62 173.01 1u2g s ARG 370 N -2.39 0.54 -1.45 7.08 1.70 -0.62 -1.90 118.95 121.91 1u2g s ARG 370 Ca -0.06 0.92 -0.08 0.00 -0.47 0.00 0.00 55.73 56.04 1u2g s ARG 370 Cb -0.02 0.09 0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1u2g s ARG 370 CO -0.03 -0.14 0.65 -0.25 -1.08 0.00 0.00 175.30 174.45 1u2g n ASP 371 N 4.00 -5.19 -0.20 -2.89 10.43 -1.26 -2.43 116.55 119.01 1u2g n ASP 371 Ca -0.20 -0.39 0.00 0.00 2.57 0.00 0.00 54.79 56.77 1u2g n ASP 371 Cb 0.57 -4.20 0.00 0.00 1.84 0.00 0.00 41.12 39.32 1u2g n ASP 371 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u2g n GLY 372 N -1.46 0.66 3.33 0.44 0.00 -1.26 -4.93 105.19 101.97 1u2g n GLY 372 Ca -0.05 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 1u2g n GLY 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 373 N -2.41 -1.30 -0.30 4.61 0.00 -1.02 -4.98 121.76 116.37 1u2g s ALA 373 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 51.96 53.32 1u2g s ALA 373 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1u2g s ALA 373 CO 0.00 -0.76 1.61 0.42 0.00 0.00 0.00 175.76 177.02 1u2g s ILE 374 N 2.61 3.70 -0.20 0.00 1.01 -1.26 -1.59 121.20 125.47 1u2g s ILE 374 Ca -0.03 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.35 1u2g s ILE 374 Cb -0.12 -3.82 -0.21 0.00 0.01 0.00 0.00 42.46 38.32 1u2g s ILE 374 CO -0.14 -0.44 0.01 0.55 0.00 0.00 0.00 174.94 174.93 1u2g n VAL 375 N 6.84 1.61 -2.64 2.92 3.14 -0.73 -4.91 118.33 124.56 1u2g n VAL 375 Ca 0.19 -0.59 -0.43 0.00 -2.96 0.00 0.00 64.34 60.56 1u2g n VAL 375 Cb 0.46 -1.57 -0.02 0.00 -1.06 0.00 0.00 33.84 31.64 1u2g n VAL 375 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1u2g s HIS 376 N -2.53 3.41 -0.31 1.45 5.65 -1.22 -4.96 115.29 116.78 1u2g s HIS 376 Ca -0.30 1.49 -0.37 0.00 0.25 0.00 0.00 55.06 56.14 1u2g s HIS 376 Cb 0.08 -3.25 -0.13 0.00 -1.18 0.00 0.00 32.58 28.10 1u2g s HIS 376 CO 0.66 -0.49 2.05 -2.30 -0.65 0.00 0.00 174.74 174.01 1u2g n PRO 377 N 5.37 1.19 0.00 2.88 -0.02 -1.26 -5.02 135.00 138.14 1u2g n PRO 377 Ca 0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1u2g n PRO 377 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1u2g n PRO 377 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48