#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8i s SER 2 N 0.00 -0.63 0.00 0.00 0.15 -1.26 -5.05 113.70 106.92 1f8i s SER 2 Ca 0.00 0.67 0.24 0.00 0.70 0.00 0.00 55.95 57.56 1f8i s SER 2 Cb 0.00 0.52 0.36 0.00 -1.71 0.00 0.00 66.02 65.19 1f8i s SER 2 CO 0.00 -0.59 1.32 1.33 1.20 0.00 0.00 173.24 176.49 1f8i n VAL 3 N 0.85 0.00 -1.73 4.45 0.24 -1.26 -4.87 118.33 116.01 1f8i n VAL 3 Ca -0.18 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 1f8i n VAL 3 Cb 0.57 0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 1f8i n VAL 3 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f8i s VAL 4 N -2.55 2.27 -0.45 3.34 1.01 -1.26 -1.80 120.40 120.96 1f8i s VAL 4 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1f8i s VAL 4 Cb 0.18 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1f8i s VAL 4 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1f8i n GLY 5 N 4.08 0.70 3.73 4.51 0.00 -1.26 -4.86 105.19 112.08 1f8i n GLY 5 Ca 0.17 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1f8i n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f8i s THR 6 N -2.07 2.27 0.61 2.61 2.01 -0.75 -0.02 115.64 120.31 1f8i s THR 6 Ca 0.00 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 1f8i s THR 6 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1f8i s THR 6 CO 0.00 0.02 1.21 -2.84 -0.69 0.00 0.00 174.62 172.32 1f8i s PRO 7 N 0.68 2.86 0.65 4.92 0.02 -1.26 -4.80 135.00 138.06 1f8i s PRO 7 Ca 0.70 1.83 -0.13 0.00 0.02 0.00 0.00 61.00 63.41 1f8i s PRO 7 Cb -0.47 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 1f8i s PRO 7 CO 0.36 -1.29 1.06 0.15 -0.33 0.00 0.00 177.00 176.95 1f8i s LYS 8 N -3.41 3.10 0.66 5.54 1.02 -1.26 -5.04 119.74 120.35 1f8i s LYS 8 Ca 0.77 1.10 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 1f8i s LYS 8 Cb -0.31 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1f8i s LYS 8 CO 0.35 -0.98 1.06 -1.54 -0.92 0.00 0.00 175.35 173.32 1f8i s SER 9 N -3.23 5.88 0.30 2.83 1.04 -1.26 -4.92 113.70 114.34 1f8i s SER 9 Ca 0.61 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 58.35 1f8i s SER 9 Cb -0.15 -2.26 0.45 0.00 0.10 0.00 0.00 66.02 64.15 1f8i s SER 9 CO 0.45 -1.08 1.90 0.00 0.98 0.00 0.00 173.24 175.50 1f8i h ALA 10 N -0.47 1.33 -0.36 5.32 0.00 -1.96 -2.19 119.26 120.93 1f8i h ALA 10 Ca -0.44 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1f8i h ALA 10 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1f8i h ALA 10 CO 0.62 0.53 0.22 0.93 0.00 0.00 0.00 179.25 181.55 1f8i h GLU 11 N 0.93 0.44 -0.62 0.00 3.07 -1.95 0.19 114.58 116.65 1f8i h GLU 11 Ca 0.23 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1f8i h GLU 11 Cb 0.08 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1f8i h GLU 11 CO -0.03 0.29 0.41 1.96 -1.40 0.00 0.00 179.01 180.24 1f8i h GLN 12 N 0.45 0.81 0.05 2.33 4.20 -1.84 -0.45 115.11 120.66 1f8i h GLN 12 Ca 0.14 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1f8i h GLN 12 Cb -0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1f8i h GLN 12 CO -0.05 0.54 -0.02 0.82 -0.67 0.00 0.00 178.83 179.45 1f8i h ILE 13 N 0.84 0.99 -0.70 2.54 2.04 -0.89 -2.42 117.51 119.90 1f8i h ILE 13 Ca 0.23 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1f8i h ILE 13 Cb -0.09 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1f8i h ILE 13 CO -0.05 0.03 0.39 -0.61 0.00 0.00 0.00 178.15 177.91 1f8i h GLN 14 N -0.13 0.68 0.00 2.37 5.75 -0.34 -1.65 115.11 121.79 1f8i h GLN 14 Ca -0.01 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1f8i h GLN 14 Cb 0.11 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1f8i h GLN 14 CO 0.01 0.45 -0.12 0.37 -2.65 0.00 0.00 178.83 176.89 1f8i h GLN 15 N 0.70 -0.20 -0.38 1.69 4.15 -0.90 -0.62 115.11 119.55 1f8i h GLN 15 Ca 0.32 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.84 1f8i h GLN 15 Cb 0.24 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 1f8i h GLN 15 CO -0.20 -0.13 -0.13 0.93 -1.93 0.00 0.00 178.83 177.36 1f8i h GLU 16 N -0.20 -0.05 -0.79 1.69 5.08 -0.90 0.38 114.58 119.79 1f8i h GLU 16 Ca 0.04 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1f8i h GLU 16 Cb 0.26 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1f8i h GLU 16 CO -0.12 -0.03 0.52 -1.49 -1.00 0.00 0.00 179.01 176.89 1f8i h TRP 17 N -0.05 0.87 0.07 4.33 6.55 -0.86 0.11 115.95 126.97 1f8i h TRP 17 Ca 0.19 0.02 -0.25 0.00 0.95 0.00 0.00 58.89 59.80 1f8i h TRP 17 Cb 0.34 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.34 1f8i h TRP 17 CO -0.37 0.46 -1.14 -0.44 -1.05 0.00 0.00 178.44 175.90 1f8i h ASP 18 N 0.85 0.24 0.00 -3.49 3.32 0.56 -3.41 116.42 114.50 1f8i h ASP 18 Ca 0.34 -0.26 -0.36 0.00 0.02 0.00 0.00 57.03 56.77 1f8i h ASP 18 Cb 0.24 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1f8i h ASP 18 CO -0.12 1.20 -2.36 0.35 -1.72 0.00 0.00 179.24 176.59 1f8i n THR 19 N -3.46 1.37 -2.05 0.35 -2.24 0.12 -4.95 114.28 103.41 1f8i n THR 19 Ca -0.05 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1f8i n THR 19 Cb 0.99 -1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1f8i n THR 19 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1f8i s ASN 20 N -6.21 6.71 0.54 3.42 3.84 0.36 -4.87 114.94 118.73 1f8i s ASN 20 Ca -0.30 2.34 0.36 0.00 0.21 0.00 0.00 52.86 55.48 1f8i s ASN 20 Cb 0.08 -2.56 1.96 0.00 -0.55 0.00 0.00 41.25 40.17 1f8i s ASN 20 CO 0.58 -0.81 2.11 -0.65 -2.79 0.00 0.00 177.10 175.55 1f8i h PRO 21 N 7.98 0.00 -0.31 0.43 0.11 -1.93 -2.14 132.00 136.15 1f8i h PRO 21 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1f8i h PRO 21 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1f8i h PRO 21 CO 0.91 0.00 0.20 -0.09 -0.21 0.00 0.00 178.00 178.81 1f8i h ARG 22 N 0.00 0.41 -0.67 1.05 9.65 -1.93 -1.81 114.38 121.08 1f8i h ARG 22 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1f8i h ARG 22 Cb 0.03 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1f8i h ARG 22 CO 0.00 0.28 0.00 0.91 2.80 0.00 0.00 179.97 183.96 1f8i n TRP 23 N -4.48 0.89 -0.38 2.20 5.03 -0.80 -4.66 117.44 115.23 1f8i n TRP 23 Ca 0.02 -0.44 -0.06 0.00 3.03 0.00 0.00 57.50 60.04 1f8i n TRP 23 Cb 0.07 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.33 1f8i n TRP 23 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 1f8i h LYS 24 N 4.20 -0.03 -0.42 -0.99 3.64 -1.41 -1.59 116.57 119.96 1f8i h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f8i h LYS 24 Cb 0.96 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1f8i h LYS 24 CO 0.00 -0.02 0.00 -0.25 -2.27 0.00 0.00 179.45 176.91 1f8i n ASP 25 N -5.38 4.85 -4.59 4.20 8.00 -1.26 -4.97 116.55 117.41 1f8i n ASP 25 Ca 0.06 -2.97 -0.40 0.00 0.71 0.00 0.00 54.79 52.19 1f8i n ASP 25 Cb 0.34 -0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 1f8i n ASP 25 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1f8i s VAL 26 N -2.79 5.14 -0.19 2.53 1.01 -0.60 -4.73 120.40 120.76 1f8i s VAL 26 Ca 0.49 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 1f8i s VAL 26 Cb 0.38 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1f8i s VAL 26 CO 0.13 0.04 0.36 -0.89 0.00 0.00 0.00 175.10 174.74 1f8i s THR 27 N 2.13 5.23 -0.21 3.92 2.01 -0.41 -5.02 115.64 123.29 1f8i s THR 27 Ca 0.15 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1f8i s THR 27 Cb -0.16 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1f8i s THR 27 CO 0.11 0.29 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.05 1f8i s ARG 28 N 1.07 2.79 0.00 4.92 0.52 -1.26 -4.71 118.95 122.28 1f8i s ARG 28 Ca 0.18 -0.97 0.10 0.00 -0.52 0.00 0.00 55.73 54.52 1f8i s ARG 28 Cb -0.14 -2.73 0.49 0.00 0.52 0.00 0.00 34.95 33.08 1f8i s ARG 28 CO 0.07 -0.33 1.33 0.25 0.02 0.00 0.00 175.30 176.64 1f8i n THR 29 N 4.59 0.10 -4.52 0.02 -2.24 -1.26 -4.81 114.28 106.16 1f8i n THR 29 Ca -0.18 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 1f8i n THR 29 Cb 0.48 -0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 1f8i n THR 29 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1f8i s TYR 30 N -1.90 2.22 0.39 4.78 -0.85 -1.26 -5.16 117.35 115.57 1f8i s TYR 30 Ca 0.16 -0.74 0.07 0.00 -0.52 0.00 0.00 57.07 56.04 1f8i s TYR 30 Cb 0.08 -1.44 0.00 0.00 0.38 0.00 0.00 41.96 40.98 1f8i s TYR 30 CO 0.12 0.30 0.53 -1.54 -1.52 0.00 0.00 175.55 173.44 1f8i s SER 31 N -3.57 5.78 0.34 -0.18 1.04 -1.26 -5.00 113.70 110.85 1f8i s SER 31 Ca 0.34 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.50 1f8i s SER 31 Cb 0.07 -0.89 0.62 0.00 0.10 0.00 0.00 66.02 65.92 1f8i s SER 31 CO 0.16 -0.64 1.86 0.00 0.98 0.00 0.00 173.24 175.60 1f8i h ALA 32 N 0.73 1.36 -0.63 5.32 0.00 -1.98 -1.61 119.26 122.45 1f8i h ALA 32 Ca -0.42 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 1f8i h ALA 32 Cb 1.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1f8i h ALA 32 CO 0.48 0.44 0.19 0.93 0.00 0.00 0.00 179.25 181.29 1f8i h GLU 33 N 0.42 0.95 -0.91 0.00 3.07 -1.95 -1.92 114.58 114.25 1f8i h GLU 33 Ca 0.09 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1f8i h GLU 33 Cb 0.39 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 1f8i h GLU 33 CO 0.02 0.83 0.58 -0.44 -1.40 0.00 0.00 179.01 178.59 1f8i h ASP 34 N 0.92 1.06 -0.05 1.42 3.32 -1.69 -0.45 116.42 120.96 1f8i h ASP 34 Ca 0.21 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1f8i h ASP 34 Cb 0.28 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1f8i h ASP 34 CO -0.01 0.78 -0.00 0.58 -1.72 0.00 0.00 179.24 178.87 1f8i h VAL 35 N 1.24 1.26 -0.90 -1.35 2.07 -1.21 -3.09 116.25 114.27 1f8i h VAL 35 Ca 0.33 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1f8i h VAL 35 Cb -0.11 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1f8i h VAL 35 CO -0.07 0.22 0.58 0.58 0.02 0.00 0.00 177.57 178.90 1f8i h VAL 36 N -0.23 1.13 -0.01 2.57 2.07 -1.06 -1.53 116.25 119.19 1f8i h VAL 36 Ca 0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1f8i h VAL 36 Cb 0.35 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1f8i h VAL 36 CO 0.00 0.20 0.03 0.00 0.02 0.00 0.00 177.57 177.83 1f8i h ALA 37 N 1.38 1.27 -0.02 1.67 0.00 -1.00 -2.28 119.26 120.28 1f8i h ALA 37 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1f8i h ALA 37 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1f8i h ALA 37 CO -0.13 -0.04 -0.41 1.28 0.00 0.00 0.00 179.25 179.96 1f8i n LEU 38 N -3.41 1.98 -0.47 0.00 4.77 -0.59 -4.45 117.00 114.84 1f8i n LEU 38 Ca -0.03 -0.71 0.13 0.00 -0.03 0.00 0.00 56.01 55.37 1f8i n LEU 38 Cb 0.11 -0.01 0.49 0.00 -2.33 0.00 0.00 43.42 41.67 1f8i n LEU 38 CO 0.23 0.36 0.84 0.00 -1.33 0.00 0.00 177.39 177.50 1f8i n GLN 39 N 0.02 1.63 0.00 3.23 6.02 -0.86 -5.04 117.38 122.39 1f8i n GLN 39 Ca 0.10 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1f8i n GLN 39 Cb 0.46 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1f8i n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f8i n GLY 40 N 1.14 1.02 0.45 1.08 0.00 -1.26 -3.62 105.19 103.99 1f8i n GLY 40 Ca 0.18 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1f8i n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f8i n SER 41 N -2.58 1.83 -3.89 1.61 3.41 -1.26 -4.90 113.62 107.85 1f8i n SER 41 Ca 0.00 -1.42 -0.17 0.00 -0.26 0.00 0.00 58.87 57.02 1f8i n SER 41 Cb 0.00 0.26 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 1f8i n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1f8i s VAL 42 N -1.50 0.37 -0.18 -3.33 1.01 -1.24 -4.21 120.40 111.32 1f8i s VAL 42 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1f8i s VAL 42 Cb 0.12 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1f8i s VAL 42 CO 0.28 0.16 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 1f8i s VAL 43 N 0.60 2.52 0.22 2.92 1.01 0.98 -4.94 120.40 123.70 1f8i s VAL 43 Ca -0.07 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1f8i s VAL 43 Cb -0.10 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 1f8i s VAL 43 CO -0.01 0.51 1.07 -1.61 0.00 0.00 0.00 175.10 175.06 1f8i s GLU 44 N 1.22 4.66 0.07 2.72 2.02 -1.26 -4.56 118.70 123.56 1f8i s GLU 44 Ca 0.02 1.70 -0.29 0.00 0.02 0.00 0.00 54.97 56.42 1f8i s GLU 44 Cb -0.14 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 1f8i s GLU 44 CO -0.07 0.21 0.91 -2.00 0.02 0.00 0.00 175.26 174.33 1f8i s GLU 45 N -0.87 4.62 -0.76 1.61 2.56 -1.26 -4.93 118.70 119.67 1f8i s GLU 45 Ca 0.46 1.34 0.03 0.00 0.00 0.00 0.00 54.97 56.81 1f8i s GLU 45 Cb -0.29 -3.39 0.20 0.00 2.00 0.00 0.00 34.13 32.64 1f8i s GLU 45 CO 0.36 0.17 0.64 0.72 -0.56 0.00 0.00 175.26 176.60 1f8i n HIS 46 N 3.04 3.56 -0.14 5.30 8.25 -1.26 -4.98 115.22 128.99 1f8i n HIS 46 Ca 0.02 -4.19 -0.10 0.00 -0.26 0.00 0.00 57.72 53.18 1f8i n HIS 46 Cb 0.50 -0.77 -0.05 0.00 1.12 0.00 0.00 29.99 30.79 1f8i n HIS 46 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1f8i h THR 47 N 4.06 0.09 -0.29 1.59 2.02 -1.94 -0.65 112.91 117.80 1f8i h THR 47 Ca 0.16 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1f8i h THR 47 Cb 0.75 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1f8i h THR 47 CO 0.79 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 176.55 1f8i h LEU 48 N -0.33 0.44 -0.36 2.58 3.38 -1.93 -0.52 115.31 118.57 1f8i h LEU 48 Ca 0.13 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1f8i h LEU 48 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1f8i h LEU 48 CO -0.59 0.55 -0.28 0.00 0.09 0.00 0.00 178.44 178.21 1f8i h ALA 49 N 1.50 0.52 0.25 1.53 0.00 -1.57 -0.65 119.26 120.83 1f8i h ALA 49 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1f8i h ALA 49 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1f8i h ALA 49 CO 0.02 0.54 -0.12 -0.09 0.00 0.00 0.00 179.25 179.60 1f8i h ARG 50 N 0.62 -0.32 -0.11 0.00 2.43 -0.86 -1.67 114.38 114.47 1f8i h ARG 50 Ca 0.07 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1f8i h ARG 50 Cb 0.85 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1f8i h ARG 50 CO 0.07 0.03 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.42 1f8i h ARG 51 N -0.74 -0.04 -0.54 0.20 2.43 -1.17 -0.33 114.38 114.20 1f8i h ARG 51 Ca -0.03 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1f8i h ARG 51 Cb 0.49 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 1f8i h ARG 51 CO 0.06 -0.02 0.25 0.78 -1.51 0.00 0.00 179.97 179.52 1f8i h GLY 52 N -0.04 0.75 0.92 2.80 0.00 -1.17 0.84 103.07 107.18 1f8i h GLY 52 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1f8i h GLY 52 CO -0.13 0.08 0.13 0.00 0.00 0.00 0.00 176.54 176.62 1f8i h ALA 53 N 1.31 0.41 0.03 3.60 0.00 -0.98 0.14 119.26 123.78 1f8i h ALA 53 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1f8i h ALA 53 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1f8i h ALA 53 CO -0.20 0.01 -0.06 0.93 0.00 0.00 0.00 179.25 179.94 1f8i h GLU 54 N 0.36 -0.12 -0.14 0.00 5.08 -0.61 -0.82 114.58 118.34 1f8i h GLU 54 Ca 0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1f8i h GLU 54 Cb 0.18 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1f8i h GLU 54 CO -0.01 -0.08 0.00 0.28 -1.00 0.00 0.00 179.01 178.21 1f8i h VAL 55 N -0.12 0.91 -0.40 3.13 2.07 -0.71 -1.37 116.25 119.76 1f8i h VAL 55 Ca 0.01 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1f8i h VAL 55 Cb 0.13 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1f8i h VAL 55 CO -0.04 0.01 0.08 0.25 0.02 0.00 0.00 177.57 177.89 1f8i h LEU 56 N 0.05 0.00 -0.41 2.57 5.85 -0.78 0.78 115.31 123.37 1f8i h LEU 56 Ca 0.06 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1f8i h LEU 56 Cb 0.07 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1f8i h LEU 56 CO -0.11 0.04 0.24 -0.25 -0.34 0.00 0.00 178.44 178.02 1f8i h TRP 57 N 0.20 0.44 -0.22 1.25 2.91 -0.87 -0.31 115.95 119.35 1f8i h TRP 57 Ca 0.19 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 1f8i h TRP 57 Cb 0.23 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1f8i h TRP 57 CO -0.20 0.25 0.13 0.93 -1.03 0.00 0.00 178.44 178.52 1f8i h GLU 58 N 0.48 0.30 -0.37 2.65 5.08 -0.57 -2.62 114.58 119.52 1f8i h GLU 58 Ca 0.17 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1f8i h GLU 58 Cb 0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1f8i h GLU 58 CO -0.08 0.23 0.03 1.96 -1.00 0.00 0.00 179.01 180.15 1f8i h GLN 59 N 0.27 0.57 0.00 2.33 4.20 -0.60 -0.04 115.11 121.83 1f8i h GLN 59 Ca 0.08 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1f8i h GLN 59 Cb 0.01 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1f8i h GLN 59 CO -0.02 0.57 0.00 -0.07 -0.67 0.00 0.00 178.83 178.64 1f8i h LEU 60 N 0.55 0.00 0.00 1.46 3.38 -0.68 -1.21 115.31 118.81 1f8i h LEU 60 Ca 0.12 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.72 1f8i h LEU 60 Cb 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1f8i h LEU 60 CO 0.01 0.00 -2.39 1.41 0.09 0.00 0.00 178.44 177.56 1f8i n HIS 61 N -3.08 0.00 0.25 1.13 8.25 -0.66 -4.61 115.22 116.50 1f8i n HIS 61 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1f8i n HIS 61 Cb 0.13 -0.93 0.18 0.00 1.12 0.00 0.00 29.99 30.50 1f8i n HIS 61 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1f8i h ASP 62 N -0.10 0.00 -2.57 0.41 3.32 -0.93 -3.46 116.42 113.09 1f8i h ASP 62 Ca -0.55 -0.00 -0.54 0.00 0.02 0.00 0.00 57.03 55.95 1f8i h ASP 62 Cb 1.81 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.32 1f8i h ASP 62 CO -0.12 0.00 -0.49 -0.76 -1.72 0.00 0.00 179.24 176.15 1f8i s LEU 63 N -6.06 4.19 0.54 1.55 1.43 -0.47 -4.97 118.68 114.89 1f8i s LEU 63 Ca 0.07 0.08 0.21 0.00 -1.03 0.00 0.00 54.13 53.45 1f8i s LEU 63 Cb 0.06 -2.76 1.42 0.00 0.03 0.00 0.00 46.19 44.93 1f8i s LEU 63 CO 0.67 0.05 2.15 -0.08 0.23 0.00 0.00 176.35 179.37 1f8i h GLU 64 N 2.15 0.00 0.00 1.70 4.81 -1.89 -3.45 114.58 117.89 1f8i h GLU 64 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1f8i h GLU 64 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1f8i h GLU 64 CO 0.67 0.00 0.00 -2.67 -0.73 0.00 0.00 179.01 176.28 1f8i n TRP 65 N -4.34 0.00 -3.94 0.92 2.14 -1.26 -4.81 117.44 106.15 1f8i n TRP 65 Ca -0.01 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.21 1f8i n TRP 65 Cb 0.16 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.52 1f8i n TRP 65 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1f8i s VAL 66 N -2.00 3.24 0.25 -1.67 1.01 0.27 -5.01 120.40 116.49 1f8i s VAL 66 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1f8i s VAL 66 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1f8i s VAL 66 CO 0.00 0.44 -0.10 0.54 0.00 0.00 0.00 175.10 175.98 1f8i s ASN 67 N 1.44 4.11 0.27 3.32 2.20 -1.26 -0.01 114.94 125.02 1f8i s ASN 67 Ca 0.05 -0.78 -0.18 0.00 -0.94 0.00 0.00 52.86 51.01 1f8i s ASN 67 Cb -0.14 -0.61 0.01 0.00 -2.00 0.00 0.00 41.25 38.52 1f8i s ASN 67 CO -0.04 0.04 0.63 0.00 -2.94 0.00 0.00 177.10 174.79 1f8i s ALA 68 N -2.26 -0.86 0.09 3.54 0.00 -0.22 -4.31 121.76 117.74 1f8i s ALA 68 Ca 0.29 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.80 1f8i s ALA 68 Cb -0.06 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1f8i s ALA 68 CO 0.17 -0.97 -0.19 -0.51 0.00 0.00 0.00 175.76 174.25 1f8i s LEU 69 N -2.96 2.27 0.24 0.00 1.43 -1.26 -1.94 118.68 116.46 1f8i s LEU 69 Ca 0.15 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1f8i s LEU 69 Cb -0.04 -0.81 -0.10 0.00 0.03 0.00 0.00 46.19 45.27 1f8i s LEU 69 CO 0.08 0.04 1.46 -0.83 0.23 0.00 0.00 176.35 177.33 1f8i s GLY 70 N -1.74 2.25 -0.08 -3.19 0.00 -0.36 -2.97 107.32 101.23 1f8i s GLY 70 Ca 0.05 1.35 0.03 0.00 0.00 0.00 0.00 44.72 46.15 1f8i s GLY 70 CO 0.03 2.33 -0.19 0.00 0.00 0.00 0.00 173.10 175.27 1f8i s ALA 71 N 0.09 1.78 -0.38 3.20 0.00 0.46 -2.22 121.76 124.69 1f8i s ALA 71 Ca 0.60 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.87 1f8i s ALA 71 Cb -0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1f8i s ALA 71 CO 0.43 0.23 0.40 1.47 0.00 0.00 0.00 175.76 178.28 1f8i n LEU 72 N 3.59 0.76 -4.12 0.00 -0.00 -1.26 -4.50 117.00 111.46 1f8i n LEU 72 Ca -0.20 -0.74 -0.10 0.00 -0.00 0.00 0.00 56.01 54.97 1f8i n LEU 72 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1f8i n LEU 72 CO 0.27 0.17 -0.38 0.42 -0.00 0.00 0.00 177.39 177.87 1f8i s THR 73 N -0.92 0.49 0.11 1.47 -4.23 -1.26 -4.91 115.64 106.40 1f8i s THR 73 Ca 0.03 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 58.55 1f8i s THR 73 Cb 0.04 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 1f8i s THR 73 CO 0.12 -0.85 1.71 1.23 -0.54 0.00 0.00 174.62 176.28 1f8i h GLY 74 N 3.25 -0.01 0.82 3.99 0.00 -1.92 -2.31 103.07 106.89 1f8i h GLY 74 Ca -0.35 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.16 1f8i h GLY 74 CO 0.62 -0.07 0.50 3.43 0.00 0.00 0.00 176.54 181.02 1f8i h ASN 75 N -0.08 0.58 -0.25 0.19 4.21 -1.95 -0.94 115.58 117.34 1f8i h ASN 75 Ca 0.04 0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.59 1f8i h ASN 75 Cb 0.14 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1f8i h ASN 75 CO -0.10 0.34 0.11 0.24 -1.29 0.00 0.00 177.43 176.73 1f8i h MET 76 N 0.64 0.24 -0.78 0.81 2.86 -1.84 -1.15 114.93 115.71 1f8i h MET 76 Ca 0.36 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.93 1f8i h MET 76 Cb 0.54 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1f8i h MET 76 CO -0.13 0.16 0.28 0.00 1.06 0.00 0.00 176.91 178.27 1f8i h ALA 77 N 1.14 1.02 -0.24 6.32 0.00 -1.04 -2.08 119.26 124.38 1f8i h ALA 77 Ca 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1f8i h ALA 77 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1f8i h ALA 77 CO -0.08 0.67 0.14 0.28 0.00 0.00 0.00 179.25 180.26 1f8i h VAL 78 N 1.14 1.03 -0.19 0.00 2.07 -0.65 -1.52 116.25 118.14 1f8i h VAL 78 Ca 0.25 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1f8i h VAL 78 Cb 0.26 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1f8i h VAL 78 CO -0.01 0.05 -0.11 1.56 0.02 0.00 0.00 177.57 179.08 1f8i h GLN 79 N 0.29 0.30 -0.65 1.57 1.08 -1.08 0.54 115.11 117.17 1f8i h GLN 79 Ca 0.09 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1f8i h GLN 79 Cb -0.01 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1f8i h GLN 79 CO -0.04 0.42 0.12 1.96 -0.95 0.00 0.00 178.83 180.34 1f8i h GLN 80 N 0.28 1.06 -0.04 1.46 4.20 -0.70 -0.14 115.11 121.23 1f8i h GLN 80 Ca 0.06 -0.27 -0.24 0.00 0.06 0.00 0.00 58.65 58.25 1f8i h GLN 80 Cb 0.38 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.04 1f8i h GLN 80 CO 0.02 0.97 -0.94 0.28 -0.67 0.00 0.00 178.83 178.49 1f8i h VAL 81 N 0.98 1.31 -1.01 -0.54 2.07 -0.84 -1.88 116.25 116.34 1f8i h VAL 81 Ca 0.20 -2.22 0.03 0.00 0.82 0.00 0.00 66.70 65.53 1f8i h VAL 81 Cb 0.41 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1f8i h VAL 81 CO 0.01 0.68 0.66 -0.09 0.02 0.00 0.00 177.57 178.85 1f8i h ARG 82 N 0.39 1.27 0.00 1.57 9.65 -0.74 -1.27 114.38 125.26 1f8i h ARG 82 Ca -0.09 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1f8i h ARG 82 Cb 1.58 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1f8i h ARG 82 CO 0.18 0.84 0.00 0.00 2.80 0.00 0.00 179.97 183.79 1f8i n ALA 83 N -2.38 1.69 0.00 2.80 0.00 -0.08 -4.89 120.51 117.66 1f8i n ALA 83 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1f8i n ALA 83 Cb 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1f8i n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f8i n GLY 84 N 0.05 1.31 3.75 0.00 0.00 -0.48 -5.09 105.19 104.73 1f8i n GLY 84 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1f8i n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f8i s LEU 85 N 0.00 3.59 -0.06 0.99 1.43 -0.72 -4.95 118.68 118.96 1f8i s LEU 85 Ca 0.00 2.38 0.10 0.00 -1.03 0.00 0.00 54.13 55.58 1f8i s LEU 85 Cb 0.00 -4.60 0.23 0.00 0.03 0.00 0.00 46.19 41.86 1f8i s LEU 85 CO 0.00 -1.73 1.17 0.29 0.23 0.00 0.00 176.35 176.31 1f8i n LYS 86 N -1.83 2.56 -3.65 1.70 5.02 -1.26 -4.46 118.16 116.25 1f8i n LYS 86 Ca 0.14 -2.11 -0.13 0.00 -2.02 0.00 0.00 58.31 54.19 1f8i n LYS 86 Cb 0.50 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 1f8i n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f8i s ALA 87 N -1.74 -1.06 -0.07 7.82 0.00 -1.26 -4.07 121.76 121.38 1f8i s ALA 87 Ca 0.20 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1f8i s ALA 87 Cb 0.15 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.65 1f8i s ALA 87 CO 0.06 -0.48 -0.20 0.42 0.00 0.00 0.00 175.76 175.56 1f8i s ILE 88 N -2.57 1.70 -0.19 0.00 1.01 -0.03 -4.62 121.20 116.50 1f8i s ILE 88 Ca -0.05 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1f8i s ILE 88 Cb -0.01 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1f8i s ILE 88 CO -0.03 0.48 0.06 -0.47 0.00 0.00 0.00 174.94 174.98 1f8i s TYR 89 N 0.17 3.20 -0.53 3.97 5.04 -1.16 -0.76 117.35 127.29 1f8i s TYR 89 Ca -0.10 -0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.45 1f8i s TYR 89 Cb -0.14 -2.10 0.14 0.00 0.35 0.00 0.00 41.96 40.20 1f8i s TYR 89 CO 0.05 0.05 0.37 -1.17 -1.34 0.00 0.00 175.55 173.50 1f8i s LEU 90 N 0.61 5.50 0.13 6.97 2.96 -0.06 -0.40 118.68 134.39 1f8i s LEU 90 Ca 0.03 -2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 51.32 1f8i s LEU 90 Cb -0.13 -1.92 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 1f8i s LEU 90 CO 0.01 -0.53 1.24 -0.55 -1.32 0.00 0.00 176.35 175.21 1f8i s SER 91 N 1.73 7.02 0.22 3.68 0.15 -1.26 -2.13 113.70 123.10 1f8i s SER 91 Ca 0.11 2.19 0.10 0.00 0.70 0.00 0.00 55.95 59.05 1f8i s SER 91 Cb -0.22 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.63 1f8i s SER 91 CO -0.03 -0.47 1.48 1.23 1.20 0.00 0.00 173.24 176.64 1f8i h GLY 92 N 6.09 0.00 0.84 9.45 0.00 -1.94 -2.70 103.07 114.80 1f8i h GLY 92 Ca -0.43 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1f8i h GLY 92 CO 0.79 0.00 0.03 -0.25 0.00 0.00 0.00 176.54 177.11 1f8i h TRP 93 N 0.00 0.05 -0.29 5.60 7.01 -1.94 0.42 115.95 126.79 1f8i h TRP 93 Ca -0.01 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1f8i h TRP 93 Cb 1.36 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.41 1f8i h TRP 93 CO 0.00 0.02 -0.19 1.96 -2.79 0.00 0.00 178.44 177.43 1f8i h GLN 94 N 0.09 0.54 -0.52 2.65 4.20 -1.87 -0.57 115.11 119.63 1f8i h GLN 94 Ca 0.06 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1f8i h GLN 94 Cb 0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1f8i h GLN 94 CO -0.09 0.71 0.05 0.28 -0.67 0.00 0.00 178.83 179.11 1f8i h VAL 95 N 0.49 1.26 -0.61 -0.54 2.07 -1.12 0.11 116.25 117.91 1f8i h VAL 95 Ca 0.08 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 1f8i h VAL 95 Cb 0.61 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1f8i h VAL 95 CO 0.04 0.36 0.11 0.00 0.02 0.00 0.00 177.57 178.10 1f8i h ALA 96 N 0.96 0.80 0.01 1.67 0.00 -0.61 -0.71 119.26 121.38 1f8i h ALA 96 Ca 0.15 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1f8i h ALA 96 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1f8i h ALA 96 CO 0.02 0.55 -0.90 0.78 0.00 0.00 0.00 179.25 179.70 1f8i h GLY 97 N 0.91 0.26 -0.53 0.00 0.00 -0.82 0.26 103.07 103.14 1f8i h GLY 97 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1f8i h GLY 97 CO 0.01 0.41 -0.11 1.34 0.00 0.00 0.00 176.54 178.19 1f8i n ASP 98 N -3.66 0.00 -2.69 0.19 2.03 0.36 -4.43 116.55 108.34 1f8i n ASP 98 Ca -0.04 -1.22 -0.06 0.00 0.52 0.00 0.00 54.79 54.00 1f8i n ASP 98 Cb 0.82 -0.04 0.11 0.00 -0.72 0.00 0.00 41.12 41.29 1f8i n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f8i n ALA 99 N 0.00 1.94 -2.57 -1.67 0.00 -0.41 -4.98 120.51 112.81 1f8i n ALA 99 Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 53.44 51.74 1f8i n ALA 99 Cb 0.54 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1f8i n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1f8i s ASN 100 N -1.48 4.26 0.00 0.00 4.22 -0.41 -4.74 114.94 116.79 1f8i s ASN 100 Ca 0.19 -0.82 0.07 0.00 -2.14 0.00 0.00 52.86 50.17 1f8i s ASN 100 Cb 0.42 -0.65 0.32 0.00 1.28 0.00 0.00 41.25 42.62 1f8i s ASN 100 CO -0.09 -0.07 1.23 0.18 -2.04 0.00 0.00 177.10 176.31 1f8i n LEU 101 N -0.87 0.00 0.15 3.54 4.77 -1.26 -1.96 117.00 121.37 1f8i n LEU 101 Ca -0.05 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1f8i n LEU 101 Cb 0.60 -0.49 0.23 0.00 -2.33 0.00 0.00 43.42 41.44 1f8i n LEU 101 CO 0.41 -0.36 0.70 0.77 -1.33 0.00 0.00 177.39 177.57 1f8i h SER 102 N 0.00 0.00 0.00 -1.43 4.64 -1.96 -3.47 113.55 111.33 1f8i h SER 102 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1f8i h SER 102 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1f8i h SER 102 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1f8i n GLY 103 N 1.21 0.93 3.92 -0.77 0.00 -0.83 -5.02 105.19 104.63 1f8i n GLY 103 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1f8i n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f8i s HIS 104 N -3.71 3.15 -0.24 1.61 3.76 -1.26 -5.03 115.29 113.57 1f8i s HIS 104 Ca 0.00 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.60 1f8i s HIS 104 Cb 0.00 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 1f8i s HIS 104 CO 0.00 0.24 0.34 0.99 -0.85 0.00 0.00 174.74 175.46 1f8i s THR 105 N -2.15 5.22 0.10 1.30 2.01 -1.26 -4.71 115.64 116.16 1f8i s THR 105 Ca 0.39 0.55 0.06 0.00 0.31 0.00 0.00 61.69 63.00 1f8i s THR 105 Cb -0.08 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1f8i s THR 105 CO 0.28 0.23 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.98 1f8i s TYR 106 N 1.55 1.41 0.95 4.92 2.02 0.93 -4.98 117.35 124.15 1f8i s TYR 106 Ca 0.15 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1f8i s TYR 106 Cb -0.15 -0.76 0.17 0.00 -0.40 0.00 0.00 41.96 40.82 1f8i s TYR 106 CO 0.08 0.13 1.21 -1.25 -1.57 0.00 0.00 175.55 174.15 1f8i s PRO 107 N -2.21 0.79 -1.35 -1.71 0.04 -1.26 -3.19 135.00 126.10 1f8i s PRO 107 Ca 0.05 -0.04 -0.16 0.00 0.04 0.00 0.00 61.00 60.88 1f8i s PRO 107 Cb -0.08 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1f8i s PRO 107 CO 0.03 -2.37 1.91 -3.47 0.04 0.00 0.00 177.00 173.14 1f8i n ASP 108 N -3.82 4.57 -1.26 6.66 2.03 -1.26 -4.61 116.55 118.86 1f8i n ASP 108 Ca 0.11 -2.90 0.04 0.00 0.52 0.00 0.00 54.79 52.56 1f8i n ASP 108 Cb 0.60 -1.70 0.05 0.00 -0.72 0.00 0.00 41.12 39.34 1f8i n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f8i n GLN 109 N 7.33 0.25 -3.55 -0.67 6.02 -1.26 -1.48 117.38 124.02 1f8i n GLN 109 Ca 0.49 -2.10 -0.22 0.00 -0.01 0.00 0.00 57.00 55.16 1f8i n GLN 109 Cb 0.43 -0.30 0.08 0.00 1.02 0.00 0.00 30.24 31.47 1f8i n GLN 109 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1f8i n SER 110 N 0.19 -4.82 0.05 1.08 7.64 -1.26 -4.46 113.62 112.04 1f8i n SER 110 Ca 0.07 -0.58 0.05 0.00 1.01 0.00 0.00 58.87 59.43 1f8i n SER 110 Cb 1.04 -5.03 -0.06 0.00 -1.01 0.00 0.00 64.21 59.14 1f8i n SER 110 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f8i n LEU 111 N -4.70 0.75 -4.89 -3.43 4.77 -1.26 -4.97 117.00 103.27 1f8i n LEU 111 Ca -0.10 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 1f8i n LEU 111 Cb 0.60 0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1f8i n LEU 111 CO 0.64 0.02 0.65 -0.72 -1.33 0.00 0.00 177.39 176.65 1f8i s TYR 112 N -3.13 3.38 0.24 -1.77 -0.85 -1.26 -5.01 117.35 108.95 1f8i s TYR 112 Ca -0.03 0.95 -0.31 0.00 -0.52 0.00 0.00 57.07 57.16 1f8i s TYR 112 Cb 0.09 -2.84 -0.12 0.00 0.38 0.00 0.00 41.96 39.47 1f8i s TYR 112 CO 0.81 -0.91 1.67 -2.14 -1.52 0.00 0.00 175.55 173.46 1f8i s PRO 113 N -5.17 4.12 0.60 -3.49 0.02 -1.26 -4.88 135.00 124.95 1f8i s PRO 113 Ca 0.55 2.59 0.28 0.00 0.02 0.00 0.00 61.00 64.45 1f8i s PRO 113 Cb -0.11 -3.06 1.30 0.00 0.02 0.00 0.00 34.50 32.65 1f8i s PRO 113 CO 0.50 -0.71 1.70 0.00 -0.33 0.00 0.00 177.00 178.16 1f8i h ALA 114 N 6.04 2.36 -0.52 -1.55 0.00 -1.97 -0.12 119.26 123.50 1f8i h ALA 114 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1f8i h ALA 114 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1f8i h ALA 114 CO 0.89 -1.02 0.00 0.27 0.00 0.00 0.00 179.25 179.39 1f8i n ASN 115 N -3.48 4.25 0.05 0.00 6.94 -1.26 -4.49 115.26 117.27 1f8i n ASN 115 Ca 0.12 -2.47 -0.13 0.00 -0.02 0.00 0.00 54.58 52.09 1f8i n ASN 115 Cb 0.92 -0.56 -0.09 0.00 -2.36 0.00 0.00 39.78 37.70 1f8i n ASN 115 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1f8i h SER 116 N 3.37 -0.11 -0.60 0.53 0.02 -1.37 -2.80 113.55 112.58 1f8i h SER 116 Ca 0.00 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1f8i h SER 116 Cb 1.37 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 1f8i h SER 116 CO 0.25 0.23 0.31 0.58 -1.14 0.00 0.00 176.83 177.06 1f8i h VAL 117 N -0.47 1.20 -0.90 2.27 2.07 -1.82 -2.38 116.25 116.22 1f8i h VAL 117 Ca -0.01 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.08 1f8i h VAL 117 Cb 0.39 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1f8i h VAL 117 CO 0.02 0.22 0.54 -0.65 0.02 0.00 0.00 177.57 177.72 1f8i h PRO 118 N 0.81 0.86 -0.88 1.57 0.11 -1.84 0.59 132.00 133.23 1f8i h PRO 118 Ca 0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1f8i h PRO 118 Cb 0.07 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 30.95 1f8i h PRO 118 CO -0.03 0.57 0.47 1.96 -0.21 0.00 0.00 178.00 180.75 1f8i h GLN 119 N 0.89 1.23 -0.08 1.05 1.08 -1.18 -1.14 115.11 116.95 1f8i h GLN 119 Ca 0.44 -0.15 -0.14 0.00 -1.45 0.00 0.00 58.65 57.35 1f8i h GLN 119 Cb 0.40 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1f8i h GLN 119 CO -0.25 0.91 -0.55 0.28 -0.95 0.00 0.00 178.83 178.27 1f8i h VAL 120 N 1.23 1.37 -0.25 -0.54 2.07 -0.66 -0.02 116.25 119.44 1f8i h VAL 120 Ca 0.31 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 1f8i h VAL 120 Cb 0.05 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1f8i h VAL 120 CO -0.05 0.55 0.09 0.58 0.02 0.00 0.00 177.57 178.77 1f8i h VAL 121 N 0.19 1.18 -0.77 2.57 2.07 -0.49 0.17 116.25 121.17 1f8i h VAL 121 Ca 0.00 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1f8i h VAL 121 Cb 1.03 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1f8i h VAL 121 CO 0.09 0.19 0.51 -0.09 0.02 0.00 0.00 177.57 178.28 1f8i h ARG 122 N 0.25 1.01 -0.13 1.57 9.65 -1.00 -0.61 114.38 125.13 1f8i h ARG 122 Ca 0.08 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1f8i h ARG 122 Cb 0.20 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1f8i h ARG 122 CO -0.01 0.67 0.06 -0.09 2.80 0.00 0.00 179.97 183.40 1f8i h ARG 123 N 1.04 0.18 -0.66 0.20 9.65 -0.64 -0.82 114.38 123.34 1f8i h ARG 123 Ca 0.28 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.15 1f8i h ARG 123 Cb -0.12 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 1f8i h ARG 123 CO -0.06 0.25 0.43 0.82 2.80 0.00 0.00 179.97 184.20 1f8i h ILE 124 N 0.07 1.13 -0.31 1.20 2.04 -0.32 -0.73 117.51 120.60 1f8i h ILE 124 Ca 0.04 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1f8i h ILE 124 Cb 0.13 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1f8i h ILE 124 CO -0.01 0.16 -0.13 0.78 0.00 0.00 0.00 178.15 178.95 1f8i h ASN 125 N 0.85 0.51 -0.48 1.72 2.35 -0.95 -1.62 115.58 117.96 1f8i h ASN 125 Ca 0.26 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1f8i h ASN 125 Cb -0.04 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1f8i h ASN 125 CO -0.08 0.68 0.01 0.78 -1.65 0.00 0.00 177.43 177.17 1f8i h ASN 126 N 0.48 0.82 -0.53 5.81 2.35 -0.50 -0.37 115.58 123.64 1f8i h ASN 126 Ca 0.09 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1f8i h ASN 126 Cb 0.52 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1f8i h ASN 126 CO 0.03 0.92 0.26 0.00 -1.65 0.00 0.00 177.43 176.99 1f8i h ALA 127 N 0.93 0.69 -0.40 -0.83 0.00 -0.83 -1.40 119.26 117.41 1f8i h ALA 127 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1f8i h ALA 127 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1f8i h ALA 127 CO 0.02 0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.39 1f8i h LEU 128 N 0.71 0.66 -0.98 0.00 3.38 -1.20 -2.09 115.31 115.80 1f8i h LEU 128 Ca 0.18 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1f8i h LEU 128 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1f8i h LEU 128 CO -0.02 0.77 -0.24 1.56 0.09 0.00 0.00 178.44 180.60 1f8i h GLN 129 N 0.63 0.46 -0.15 1.13 4.20 -0.60 -0.98 115.11 119.80 1f8i h GLN 129 Ca 0.12 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1f8i h GLN 129 Cb 0.49 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1f8i h GLN 129 CO 0.03 0.67 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.71 1f8i h ARG 130 N 0.41 0.29 -0.55 1.46 9.65 -0.88 -0.14 114.38 124.62 1f8i h ARG 130 Ca 0.06 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1f8i h ARG 130 Cb 0.64 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1f8i h ARG 130 CO 0.05 0.60 0.37 0.00 2.80 0.00 0.00 179.97 183.78 1f8i h ALA 131 N 0.69 1.77 -0.23 2.80 0.00 -1.17 0.23 119.26 123.34 1f8i h ALA 131 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1f8i h ALA 131 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1f8i h ALA 131 CO 0.02 0.16 -0.12 0.22 0.00 0.00 0.00 179.25 179.53 1f8i h ASP 132 N 0.60 0.51 -0.09 0.00 3.58 -0.92 -0.24 116.42 119.85 1f8i h ASP 132 Ca 0.23 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1f8i h ASP 132 Cb 0.15 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 1f8i h ASP 132 CO -0.06 0.81 0.05 1.56 -2.88 0.00 0.00 179.24 178.72 1f8i h GLN 133 N 0.20 0.13 -0.40 0.28 4.20 0.30 -1.59 115.11 118.23 1f8i h GLN 133 Ca 0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1f8i h GLN 133 Cb 0.62 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1f8i h GLN 133 CO 0.03 0.14 0.25 0.82 -0.67 0.00 0.00 178.83 179.41 1f8i h ILE 134 N 0.08 1.12 -0.98 2.54 2.04 -0.59 -2.47 117.51 119.25 1f8i h ILE 134 Ca 0.03 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1f8i h ILE 134 Cb 0.05 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1f8i h ILE 134 CO -0.01 0.12 0.64 0.00 0.00 0.00 0.00 178.15 178.90 1f8i h ALA 135 N 1.12 1.41 -0.16 1.87 0.00 -0.84 -1.24 119.26 121.42 1f8i h ALA 135 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1f8i h ALA 135 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1f8i h ALA 135 CO -0.03 0.45 0.07 -0.22 0.00 0.00 0.00 179.25 179.53 1f8i h LYS 136 N 1.17 0.23 0.00 0.00 3.64 -0.85 0.15 116.57 120.91 1f8i h LYS 136 Ca 0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1f8i h LYS 136 Cb 0.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1f8i h LYS 136 CO -0.15 0.30 0.00 -0.84 -2.27 0.00 0.00 179.45 176.48 1f8i h ILE 137 N 0.12 0.00 -0.01 2.00 3.07 -1.15 -2.51 117.51 119.03 1f8i h ILE 137 Ca 0.05 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1f8i h ILE 137 Cb 0.15 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 1f8i h ILE 137 CO -0.01 0.00 -0.36 -0.62 -1.05 0.00 0.00 178.15 176.11 1f8i n GLU 138 N -3.03 0.75 -2.24 0.16 1.02 -0.50 -4.93 120.64 111.88 1f8i n GLU 138 Ca 0.02 -0.49 -0.14 0.00 -0.02 0.00 0.00 57.16 56.53 1f8i n GLU 138 Cb 0.35 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1f8i n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f8i n GLY 139 N 1.38 -0.16 3.49 0.62 0.00 -0.36 -4.96 105.19 105.20 1f8i n GLY 139 Ca 0.10 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1f8i n GLY 139 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f8i s ASP 140 N -2.40 6.28 -0.11 1.61 2.15 0.39 -4.89 116.67 119.70 1f8i s ASP 140 Ca 0.00 -0.59 0.17 0.00 0.43 0.00 0.00 52.55 52.57 1f8i s ASP 140 Cb 0.00 -2.32 0.70 0.00 -0.30 0.00 0.00 42.92 40.99 1f8i s ASP 140 CO 0.00 -0.89 1.59 0.35 -0.17 0.00 0.00 175.17 176.06 1f8i n THR 141 N 5.79 1.75 -0.30 1.71 -2.24 -1.26 -4.53 114.28 115.20 1f8i n THR 141 Ca -0.03 -1.12 0.11 0.00 -2.27 0.00 0.00 64.05 60.74 1f8i n THR 141 Cb 0.47 0.10 0.28 0.00 -2.10 0.00 0.00 70.33 69.08 1f8i n THR 141 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1f8i h SER 142 N 3.93 0.40 -3.36 3.42 0.87 -1.97 -3.38 113.55 113.47 1f8i h SER 142 Ca 0.00 0.13 -0.65 0.00 -1.23 0.00 0.00 61.79 60.05 1f8i h SER 142 Cb 1.41 0.09 -0.25 0.00 -0.44 0.00 0.00 62.40 63.21 1f8i h SER 142 CO 0.23 0.07 -0.71 -0.69 -0.53 0.00 0.00 176.83 175.20 1f8i s VAL 143 N -5.91 3.55 -0.00 2.23 1.01 -1.26 -5.01 120.40 115.01 1f8i s VAL 143 Ca -0.12 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 1f8i s VAL 143 Cb 0.24 -2.57 -0.18 0.00 0.00 0.00 0.00 36.38 33.87 1f8i s VAL 143 CO 0.78 0.47 1.23 1.05 0.00 0.00 0.00 175.10 178.63 1f8i h GLU 144 N 7.22 0.22 -3.86 2.72 9.09 -1.96 -3.42 114.58 124.59 1f8i h GLU 144 Ca -0.33 -0.14 -0.59 0.00 0.05 0.00 0.00 59.36 58.34 1f8i h GLU 144 Cb 1.19 0.02 -0.40 0.00 -1.65 0.00 0.00 28.75 27.91 1f8i h GLU 144 CO 0.60 0.73 -0.75 1.21 0.05 0.00 0.00 179.01 180.85 1f8i s ASN 145 N -6.07 4.05 0.30 3.06 3.04 -1.26 -4.97 114.94 113.08 1f8i s ASN 145 Ca -0.15 -1.61 0.12 0.00 0.04 0.00 0.00 52.86 51.26 1f8i s ASN 145 Cb 0.03 -1.02 0.46 0.00 -1.54 0.00 0.00 41.25 39.18 1f8i s ASN 145 CO 0.73 -0.38 1.66 -0.50 -3.04 0.00 0.00 177.10 175.58 1f8i h TRP 146 N 8.00 0.00 -0.73 0.43 4.06 -1.92 -3.34 115.95 122.45 1f8i h TRP 146 Ca -0.13 0.00 -0.73 0.00 2.06 0.00 0.00 58.89 60.09 1f8i h TRP 146 Cb 1.03 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.09 1f8i h TRP 146 CO 0.39 0.55 2.59 1.28 -3.56 0.00 0.00 178.44 179.69 1f8i n LEU 147 N -3.82 6.89 -4.76 -4.49 4.77 -1.26 -4.88 117.00 109.45 1f8i n LEU 147 Ca -0.01 -4.43 -0.41 0.00 -0.03 0.00 0.00 56.01 51.13 1f8i n LEU 147 Cb 0.57 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1f8i n LEU 147 CO 0.41 1.32 0.92 0.00 -1.33 0.00 0.00 177.39 178.71 1f8i s ALA 148 N 1.59 3.48 0.53 -1.18 0.00 -1.26 -4.86 121.76 120.06 1f8i s ALA 148 Ca 0.44 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 1f8i s ALA 148 Cb 0.12 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1f8i s ALA 148 CO -0.04 -0.47 1.23 -0.35 0.00 0.00 0.00 175.76 176.13 1f8i n PRO 149 N 1.37 1.52 -4.57 0.00 -0.04 -1.26 -4.63 135.00 127.39 1f8i n PRO 149 Ca 0.01 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 1f8i n PRO 149 Cb 0.43 -2.41 -0.14 0.00 -0.04 0.00 0.00 33.50 31.34 1f8i n PRO 149 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1f8i s ILE 150 N -1.32 3.30 -0.31 0.52 1.01 -1.26 -0.85 121.20 122.29 1f8i s ILE 150 Ca 0.70 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 1f8i s ILE 150 Cb -0.44 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1f8i s ILE 150 CO 0.51 0.50 0.10 -0.69 0.00 0.00 0.00 174.94 175.36 1f8i s VAL 151 N 0.49 4.05 0.11 2.92 1.01 0.06 -0.91 120.40 128.13 1f8i s VAL 151 Ca -0.07 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1f8i s VAL 151 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1f8i s VAL 151 CO 0.04 0.00 0.08 0.00 0.00 0.00 0.00 175.10 175.22 1f8i s ALA 152 N 1.50 3.49 -0.36 5.51 0.00 0.24 -0.88 121.76 131.26 1f8i s ALA 152 Ca 0.02 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 1f8i s ALA 152 Cb -0.18 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1f8i s ALA 152 CO 0.03 0.65 1.00 0.34 0.00 0.00 0.00 175.76 177.78 1f8i s ASP 153 N -2.63 6.77 0.00 0.00 -1.08 -0.91 -1.69 116.67 117.13 1f8i s ASP 153 Ca 0.29 0.74 0.24 0.00 -0.52 0.00 0.00 52.55 53.30 1f8i s ASP 153 Cb -0.11 -2.50 0.36 0.00 -1.46 0.00 0.00 42.92 39.20 1f8i s ASP 153 CO 0.21 -0.91 1.36 0.61 0.52 0.00 0.00 175.17 176.96 1f8i n GLY 154 N 4.25 1.16 7.00 2.66 0.00 -0.36 -4.78 105.19 115.11 1f8i n GLY 154 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1f8i n GLY 154 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f8i n GLU 155 N 1.28 0.00 -0.64 1.61 1.02 -1.22 -1.76 120.64 120.93 1f8i n GLU 155 Ca 0.16 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 1f8i n GLU 155 Cb 0.58 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.34 1f8i n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f8i n ALA 156 N 9.45 3.21 0.00 0.62 0.00 -1.26 -1.44 120.51 131.09 1f8i n ALA 156 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1f8i n ALA 156 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1f8i n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f8i n GLY 157 N 0.77 2.71 2.76 0.00 0.00 -0.72 -4.16 105.19 106.55 1f8i n GLY 157 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1f8i n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f8i n PHE 158 N -2.00 -1.60 0.00 1.61 3.72 -1.26 -3.58 117.46 114.35 1f8i n PHE 158 Ca 0.00 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.85 1f8i n PHE 158 Cb 0.00 -3.75 0.00 0.00 -0.94 0.00 0.00 39.48 34.79 1f8i n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1f8i n GLY 159 N -1.39 0.40 0.00 1.37 0.00 -1.26 -4.88 105.19 99.43 1f8i n GLY 159 Ca -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1f8i n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f8i n GLY 160 N 0.00 0.84 0.38 -0.02 0.00 -1.26 -4.82 105.19 100.30 1f8i n GLY 160 Ca 0.00 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1f8i n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f8i h ALA 161 N -0.50 1.93 -0.20 4.61 0.00 -1.96 -0.88 119.26 122.26 1f8i h ALA 161 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1f8i h ALA 161 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1f8i h ALA 161 CO 0.00 -0.16 -0.42 -0.07 0.00 0.00 0.00 179.25 178.60 1f8i h LEU 162 N 0.60 0.50 -0.60 0.00 3.38 -1.97 0.08 115.31 117.31 1f8i h LEU 162 Ca 0.43 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1f8i h LEU 162 Cb 0.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1f8i h LEU 162 CO -0.18 0.87 -0.29 0.78 0.09 0.00 0.00 178.44 179.71 1f8i h ASN 163 N 0.39 0.84 -0.58 -0.43 2.35 -1.47 -1.78 115.58 114.89 1f8i h ASN 163 Ca 0.03 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.42 1f8i h ASN 163 Cb 0.90 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1f8i h ASN 163 CO 0.08 1.07 0.24 0.58 -1.65 0.00 0.00 177.43 177.74 1f8i h VAL 164 N 0.69 1.22 -0.11 2.81 2.07 -0.91 -1.78 116.25 120.23 1f8i h VAL 164 Ca 0.08 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1f8i h VAL 164 Cb 0.82 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1f8i h VAL 164 CO 0.07 0.26 0.06 0.22 0.02 0.00 0.00 177.57 178.20 1f8i h TYR 165 N 0.79 0.11 -0.56 1.57 5.03 -0.73 -1.79 116.97 121.40 1f8i h TYR 165 Ca 0.19 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.45 1f8i h TYR 165 Cb 0.18 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 1f8i h TYR 165 CO 0.01 0.07 0.13 0.93 -1.32 0.00 0.00 178.16 177.98 1f8i h GLU 166 N 0.13 0.86 -0.13 1.82 4.39 -1.14 -1.33 114.58 119.18 1f8i h GLU 166 Ca 0.04 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1f8i h GLU 166 Cb -0.00 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1f8i h GLU 166 CO -0.02 0.77 0.01 1.25 -1.16 0.00 0.00 179.01 179.86 1f8i h LEU 167 N 0.82 0.21 -0.34 1.33 5.85 -1.11 -0.55 115.31 121.52 1f8i h LEU 167 Ca 0.18 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1f8i h LEU 167 Cb 0.30 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1f8i h LEU 167 CO -0.00 0.43 0.15 -0.61 -0.34 0.00 0.00 178.44 178.06 1f8i h GLN 168 N -0.03 0.30 -0.39 1.25 5.75 -1.17 0.21 115.11 121.05 1f8i h GLN 168 Ca 0.04 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1f8i h GLN 168 Cb 0.32 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1f8i h GLN 168 CO 0.00 0.20 0.18 -0.22 -2.65 0.00 0.00 178.83 176.35 1f8i h LYS 169 N 0.31 0.37 -0.70 1.69 3.64 -1.15 0.06 116.57 120.79 1f8i h LYS 169 Ca 0.15 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1f8i h LYS 169 Cb 0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1f8i h LYS 169 CO -0.13 0.24 0.24 0.00 -2.27 0.00 0.00 179.45 177.53 1f8i h ALA 170 N 1.21 1.10 -0.52 5.00 0.00 -0.51 0.60 119.26 126.13 1f8i h ALA 170 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1f8i h ALA 170 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1f8i h ALA 170 CO -0.12 0.62 0.26 -0.07 0.00 0.00 0.00 179.25 179.94 1f8i h LEU 171 N 1.03 0.68 -0.78 0.00 3.38 -0.06 -1.63 115.31 117.93 1f8i h LEU 171 Ca 0.23 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1f8i h LEU 171 Cb 0.26 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1f8i h LEU 171 CO -0.01 0.61 0.11 0.40 0.09 0.00 0.00 178.44 179.64 1f8i h ILE 172 N 0.70 1.26 -0.33 1.22 2.04 -0.51 -1.70 117.51 120.19 1f8i h ILE 172 Ca 0.18 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 1f8i h ILE 172 Cb 0.11 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1f8i h ILE 172 CO -0.02 0.37 -0.02 0.00 0.00 0.00 0.00 178.15 178.47 1f8i h ALA 173 N 1.14 1.35 0.00 1.87 0.00 -0.58 -1.98 119.26 121.06 1f8i h ALA 173 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1f8i h ALA 173 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1f8i h ALA 173 CO 0.01 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1f8i h ALA 174 N 1.49 1.00 0.00 0.00 0.00 -0.80 -3.47 119.26 117.47 1f8i h ALA 174 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f8i h ALA 174 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1f8i h ALA 174 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1f8i n GLY 175 N 0.58 1.81 3.81 0.00 0.00 -0.74 -3.82 105.19 106.83 1f8i n GLY 175 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1f8i n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f8i s VAL 176 N -2.00 4.01 -0.19 1.61 0.11 -0.71 -4.13 120.40 119.10 1f8i s VAL 176 Ca 0.00 0.94 0.11 0.00 -2.93 0.00 0.00 61.98 60.10 1f8i s VAL 176 Cb 0.00 -3.47 -0.19 0.00 -1.53 0.00 0.00 36.38 31.18 1f8i s VAL 176 CO 0.00 -0.58 -0.02 0.00 -3.33 0.00 0.00 175.10 171.17 1f8i n ALA 177 N -1.98 1.56 -3.12 1.54 0.00 -0.09 -4.31 120.51 114.12 1f8i n ALA 177 Ca 0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 1f8i n ALA 177 Cb 0.53 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 1f8i n ALA 177 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f8i s GLY 178 N -5.45 -0.24 -0.02 0.00 0.00 -0.64 -1.57 107.32 99.41 1f8i s GLY 178 Ca -0.15 0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.76 1f8i s GLY 178 CO 0.65 -0.02 0.08 -1.35 0.00 0.00 0.00 173.10 172.46 1f8i s SER 179 N -2.05 -0.00 0.08 1.64 1.04 -0.10 -0.59 113.70 113.70 1f8i s SER 179 Ca -0.05 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.41 1f8i s SER 179 Cb -0.01 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1f8i s SER 179 CO -0.03 -0.16 -0.11 -1.38 0.98 0.00 0.00 173.24 172.54 1f8i s HIS 180 N -0.58 2.74 -0.04 5.02 -3.43 -0.68 -0.79 115.29 117.53 1f8i s HIS 180 Ca -0.07 -0.15 0.01 0.00 -0.80 0.00 0.00 55.06 54.06 1f8i s HIS 180 Cb -0.04 -1.47 0.02 0.00 -1.43 0.00 0.00 32.58 29.66 1f8i s HIS 180 CO 0.00 0.39 -0.05 -1.58 -2.00 0.00 0.00 174.74 171.50 1f8i s TRP 181 N -1.14 0.76 0.13 0.38 0.52 0.19 -1.23 118.94 118.56 1f8i s TRP 181 Ca 0.20 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1f8i s TRP 181 Cb -0.11 -0.64 -0.04 0.00 -1.15 0.00 0.00 33.47 31.53 1f8i s TRP 181 CO 0.11 -0.16 0.16 -1.83 0.02 0.00 0.00 176.95 175.25 1f8i s GLU 182 N 0.72 3.07 -0.45 4.98 -1.05 -0.52 -0.83 118.70 124.61 1f8i s GLU 182 Ca -0.10 -0.73 -0.04 0.00 -0.15 0.00 0.00 54.97 53.96 1f8i s GLU 182 Cb -0.13 -2.77 0.08 0.00 -0.44 0.00 0.00 34.13 30.86 1f8i s GLU 182 CO 0.00 0.52 2.71 -0.40 0.95 0.00 0.00 175.26 179.05 1f8i n ASP 183 N -0.15 6.49 -4.63 0.83 5.68 -0.99 -4.61 116.55 119.17 1f8i n ASP 183 Ca -0.08 -3.21 -0.26 0.00 -0.50 0.00 0.00 54.79 50.74 1f8i n ASP 183 Cb 0.53 -1.22 -0.08 0.00 -1.14 0.00 0.00 41.12 39.21 1f8i n ASP 183 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1f8i s GLN 184 N -1.77 2.29 -0.05 0.11 -0.21 -1.26 -1.86 119.66 116.91 1f8i s GLN 184 Ca 0.57 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 1f8i s GLN 184 Cb 0.38 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 1f8i s GLN 184 CO -0.21 0.44 1.51 -1.17 -2.12 0.00 0.00 175.29 173.74 1f8i s LEU 185 N -2.98 4.30 0.21 2.90 2.96 0.21 -4.71 118.68 121.56 1f8i s LEU 185 Ca 0.27 2.11 -0.09 0.00 -0.22 0.00 0.00 54.13 56.20 1f8i s LEU 185 Cb -0.09 -3.54 0.26 0.00 0.50 0.00 0.00 46.19 43.32 1f8i s LEU 185 CO 0.18 -0.84 1.78 0.00 -1.32 0.00 0.00 176.35 176.15 1f8i h ALA 186 N 8.73 0.84 0.00 5.97 0.00 -1.88 0.16 119.26 133.08 1f8i h ALA 186 Ca -0.37 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1f8i h ALA 186 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1f8i h ALA 186 CO 0.94 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.98 1f8i n SER 187 N -4.89 0.00 -0.11 0.00 3.41 -1.26 -2.07 113.62 108.71 1f8i n SER 187 Ca 0.08 0.44 0.01 0.00 -0.26 0.00 0.00 58.87 59.15 1f8i n SER 187 Cb 0.22 -0.46 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 1f8i n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1f8i n GLU 188 N -1.46 1.02 -1.51 4.33 -0.58 -0.69 -5.09 120.64 116.66 1f8i n GLU 188 Ca 0.03 -1.17 -0.52 0.00 -0.42 0.00 0.00 57.16 55.08 1f8i n GLU 188 Cb 0.10 -0.78 -0.05 0.00 -0.57 0.00 0.00 31.44 30.14 1f8i n GLU 188 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1f8i n LYS 189 N -0.34 0.53 -4.26 3.49 0.00 0.48 -4.67 118.16 113.38 1f8i n LYS 189 Ca 0.02 0.19 -0.18 0.00 0.00 0.00 0.00 58.31 58.34 1f8i n LYS 189 Cb 0.49 -1.57 -0.11 0.00 0.00 0.00 0.00 35.03 33.84 1f8i n LYS 189 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1f8i s LYS 190 N -0.39 1.08 0.60 1.64 -0.14 -1.26 -4.25 119.74 117.02 1f8i s LYS 190 Ca 0.77 -1.32 -0.20 0.00 -1.36 0.00 0.00 55.97 53.86 1f8i s LYS 190 Cb -1.00 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1f8i s LYS 190 CO 0.54 0.17 1.30 0.45 -0.76 0.00 0.00 175.35 177.06 1f8i s SER 191 N -2.65 4.95 0.54 2.83 0.15 -0.55 -4.84 113.70 114.13 1f8i s SER 191 Ca 0.12 2.64 0.30 0.00 0.70 0.00 0.00 55.95 59.70 1f8i s SER 191 Cb -0.04 -2.62 1.46 0.00 -1.71 0.00 0.00 66.02 63.11 1f8i s SER 191 CO 0.03 -1.77 1.92 1.23 1.20 0.00 0.00 173.24 175.85 1f8i h GLY 192 N 0.95 0.00 -2.24 9.45 0.00 -2.00 -1.36 103.07 107.87 1f8i h GLY 192 Ca -0.51 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 1f8i h GLY 192 CO 0.55 0.00 0.05 1.42 0.00 0.00 0.00 176.54 178.56 1f8i n HIS 193 N -4.21 1.37 -4.24 5.60 8.25 -1.26 -4.92 115.22 115.81 1f8i n HIS 193 Ca 0.15 -1.14 -0.26 0.00 -0.26 0.00 0.00 57.72 56.21 1f8i n HIS 193 Cb 0.82 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 31.40 1f8i n HIS 193 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f8i s LEU 194 N -2.98 3.20 0.00 2.41 1.43 -0.51 -5.14 118.68 117.09 1f8i s LEU 194 Ca 0.46 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1f8i s LEU 194 Cb 0.38 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.90 1f8i s LEU 194 CO 0.08 0.09 0.91 0.61 0.23 0.00 0.00 176.35 178.27 1f8i n GLY 195 N -0.13 -0.85 2.45 -3.19 0.00 -1.26 -4.55 105.19 97.66 1f8i n GLY 195 Ca -0.10 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 1f8i n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f8i n GLY 196 N -1.19 0.04 3.79 -0.02 0.00 -1.26 -4.92 105.19 101.63 1f8i n GLY 196 Ca 0.12 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1f8i n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f8i s LYS 197 N -5.21 4.24 -0.15 1.61 1.02 -1.26 -4.85 119.74 115.13 1f8i s LYS 197 Ca 0.18 0.73 0.02 0.00 0.02 0.00 0.00 55.97 56.92 1f8i s LYS 197 Cb -0.08 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1f8i s LYS 197 CO 0.22 0.54 -0.21 0.08 -0.92 0.00 0.00 175.35 175.06 1f8i s VAL 198 N -0.76 2.05 0.51 3.17 1.01 -1.26 -3.64 120.40 121.47 1f8i s VAL 198 Ca 0.30 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1f8i s VAL 198 Cb -0.19 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1f8i s VAL 198 CO 0.18 0.54 0.82 -0.76 0.00 0.00 0.00 175.10 175.89 1f8i s LEU 199 N 1.01 3.53 0.31 3.92 1.43 0.83 -0.62 118.68 129.09 1f8i s LEU 199 Ca -0.02 0.93 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1f8i s LEU 199 Cb -0.15 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 1f8i s LEU 199 CO -0.06 -0.68 0.14 0.27 0.23 0.00 0.00 176.35 176.24 1f8i s ILE 200 N -2.82 3.33 0.65 -0.59 -5.25 -0.78 -1.00 121.20 114.74 1f8i s ILE 200 Ca 0.49 -1.67 -0.18 0.00 -0.99 0.00 0.00 60.65 58.31 1f8i s ILE 200 Cb -0.10 -3.02 -0.03 0.00 2.95 0.00 0.00 42.46 42.26 1f8i s ILE 200 CO 0.46 -0.24 1.03 -2.65 -1.79 0.00 0.00 174.94 171.75 1f8i n PRO 201 N -1.13 0.83 -0.14 0.37 -0.02 -1.26 -4.82 135.00 128.83 1f8i n PRO 201 Ca -0.04 0.33 -0.04 0.00 -2.02 0.00 0.00 63.50 61.73 1f8i n PRO 201 Cb 0.60 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1f8i n PRO 201 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1f8i h THR 202 N 0.28 0.62 -0.24 3.45 2.02 -1.95 -1.29 112.91 115.80 1f8i h THR 202 Ca -0.49 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1f8i h THR 202 Cb 1.35 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1f8i h THR 202 CO 0.50 0.01 0.06 -0.61 0.37 0.00 0.00 175.52 175.85 1f8i h GLN 203 N 0.07 0.34 -0.34 6.66 5.75 -1.99 -2.09 115.11 123.51 1f8i h GLN 203 Ca 0.22 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1f8i h GLN 203 Cb 0.33 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1f8i h GLN 203 CO -0.40 0.32 0.08 0.37 -2.65 0.00 0.00 178.83 176.54 1f8i h GLN 204 N 0.34 0.55 0.00 1.69 4.15 -1.59 -1.12 115.11 119.12 1f8i h GLN 204 Ca 0.08 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1f8i h GLN 204 Cb 0.13 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1f8i h GLN 204 CO -0.00 0.61 -0.29 1.25 -1.93 0.00 0.00 178.83 178.47 1f8i h HIS 205 N 0.39 0.00 -0.28 3.99 2.76 -1.03 -1.02 115.15 119.95 1f8i h HIS 205 Ca 0.11 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1f8i h HIS 205 Cb 0.31 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1f8i h HIS 205 CO 0.02 0.29 -0.17 0.82 -1.30 0.00 0.00 177.93 177.58 1f8i h ILE 206 N 0.00 1.24 -0.55 6.26 2.04 -0.71 0.74 117.51 126.53 1f8i h ILE 206 Ca -0.00 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1f8i h ILE 206 Cb 0.55 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1f8i h ILE 206 CO 0.04 0.36 0.01 0.03 0.00 0.00 0.00 178.15 178.59 1f8i h ARG 207 N 0.46 0.94 0.10 2.37 3.08 -0.00 0.50 114.38 121.83 1f8i h ARG 207 Ca 0.08 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1f8i h ARG 207 Cb 0.56 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1f8i h ARG 207 CO 0.04 0.93 -0.05 1.15 -1.07 0.00 0.00 179.97 180.97 1f8i h THR 208 N 0.87 0.97 -0.81 2.04 2.02 -0.24 0.16 112.91 117.92 1f8i h THR 208 Ca 0.16 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1f8i h THR 208 Cb 0.50 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1f8i h THR 208 CO 0.02 0.06 0.51 -0.07 0.37 0.00 0.00 175.52 176.42 1f8i h LEU 209 N -0.25 0.96 -0.56 2.58 3.38 -0.72 -0.49 115.31 120.20 1f8i h LEU 209 Ca -0.01 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1f8i h LEU 209 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1f8i h LEU 209 CO 0.02 0.72 0.04 0.74 0.09 0.00 0.00 178.44 180.05 1f8i h THR 210 N 1.11 1.26 -0.56 0.22 2.02 -0.57 -1.86 112.91 114.55 1f8i h THR 210 Ca 0.30 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1f8i h THR 210 Cb -0.08 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1f8i h THR 210 CO -0.06 0.38 0.01 -1.28 0.37 0.00 0.00 175.52 174.95 1f8i h SER 211 N 0.86 0.91 -0.76 4.18 0.87 0.02 -0.17 113.55 119.46 1f8i h SER 211 Ca 0.16 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1f8i h SER 211 Cb 0.49 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1f8i h SER 211 CO 0.02 0.97 0.31 0.00 -0.53 0.00 0.00 176.83 177.59 1f8i h ALA 212 N 1.13 1.09 -0.17 6.23 0.00 -0.85 -0.67 119.26 126.02 1f8i h ALA 212 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1f8i h ALA 212 Cb 0.50 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1f8i h ALA 212 CO 0.02 0.65 -0.18 -0.09 0.00 0.00 0.00 179.25 179.66 1f8i h ARG 213 N 1.12 0.42 -0.64 0.00 9.65 -1.03 -2.80 114.38 121.10 1f8i h ARG 213 Ca 0.26 -0.22 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1f8i h ARG 213 Cb 0.21 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 1f8i h ARG 213 CO -0.02 0.79 0.32 1.25 2.80 0.00 0.00 179.97 185.11 1f8i h LEU 214 N 0.07 0.44 -0.80 3.80 5.85 -0.76 0.42 115.31 124.33 1f8i h LEU 214 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1f8i h LEU 214 Cb 0.71 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1f8i h LEU 214 CO 0.04 0.28 0.51 0.00 -0.34 0.00 0.00 178.44 178.93 1f8i h ALA 215 N 1.37 1.02 -0.42 1.25 0.00 -1.10 -0.17 119.26 121.20 1f8i h ALA 215 Ca 0.30 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1f8i h ALA 215 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1f8i h ALA 215 CO -0.22 0.45 0.04 0.00 0.00 0.00 0.00 179.25 179.52 1f8i h ALA 216 N 1.28 0.56 -0.74 0.00 0.00 -1.06 -1.36 119.26 117.95 1f8i h ALA 216 Ca 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f8i h ALA 216 Cb -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1f8i h ALA 216 CO -0.06 0.31 0.44 -0.44 0.00 0.00 0.00 179.25 179.50 1f8i h ASP 217 N 0.57 0.89 0.06 0.00 3.32 -0.51 0.14 116.42 120.89 1f8i h ASP 217 Ca 0.12 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1f8i h ASP 217 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1f8i h ASP 217 CO 0.01 0.70 -0.26 0.58 -1.72 0.00 0.00 179.24 178.55 1f8i h VAL 218 N 1.01 1.25 -0.01 -1.35 2.07 -0.91 -0.91 116.25 117.40 1f8i h VAL 218 Ca 0.26 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1f8i h VAL 218 Cb -0.02 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1f8i h VAL 218 CO -0.05 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1f8i n ALA 219 N -2.48 2.64 -3.85 1.67 0.00 -0.52 -4.88 120.51 113.08 1f8i n ALA 219 Ca -0.01 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1f8i n ALA 219 Cb 0.38 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.49 1f8i n ALA 219 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f8i n ASP 220 N -0.50 -1.81 -3.93 0.00 2.03 0.41 -4.76 116.55 107.99 1f8i n ASP 220 Ca 0.21 -0.87 -0.13 0.00 0.52 0.00 0.00 54.79 54.52 1f8i n ASP 220 Cb 0.21 -3.67 -0.14 0.00 -0.72 0.00 0.00 41.12 36.80 1f8i n ASP 220 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1f8i s VAL 221 N -3.65 0.19 0.00 5.18 -7.23 -0.82 -4.96 120.40 109.11 1f8i s VAL 221 Ca 0.19 -0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1f8i s VAL 221 Cb -0.09 -0.20 -0.11 0.00 0.56 0.00 0.00 36.38 36.54 1f8i s VAL 221 CO 0.84 -0.05 2.50 -0.81 -0.31 0.00 0.00 175.10 177.27 1f8i n PRO 222 N 2.74 1.31 -1.56 4.82 -0.04 -1.26 -4.38 135.00 136.64 1f8i n PRO 222 Ca -0.14 -0.41 -0.50 0.00 -0.04 0.00 0.00 63.50 62.40 1f8i n PRO 222 Cb 0.58 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1f8i n PRO 222 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1f8i n THR 223 N 2.00 0.79 -2.59 0.52 -1.04 -1.26 -4.78 114.28 107.92 1f8i n THR 223 Ca 0.18 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 1f8i n THR 223 Cb 0.62 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.44 1f8i n THR 223 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1f8i s VAL 224 N -0.17 4.57 -0.24 12.58 1.01 -0.61 -4.97 120.40 132.57 1f8i s VAL 224 Ca 0.76 1.87 -0.08 0.00 0.00 0.00 0.00 61.98 64.53 1f8i s VAL 224 Cb -0.92 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.22 1f8i s VAL 224 CO 0.53 -0.09 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1f8i s VAL 225 N 2.77 4.75 -0.17 2.92 1.01 -1.26 -0.93 120.40 129.50 1f8i s VAL 225 Ca 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1f8i s VAL 225 Cb -0.19 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1f8i s VAL 225 CO 0.13 0.35 -0.08 -0.63 0.00 0.00 0.00 175.10 174.88 1f8i s ILE 226 N 1.27 3.37 -0.18 2.22 1.01 0.03 -0.45 121.20 128.47 1f8i s ILE 226 Ca 0.06 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1f8i s ILE 226 Cb -0.14 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1f8i s ILE 226 CO 0.05 0.48 0.15 0.00 0.00 0.00 0.00 174.94 175.62 1f8i s ALA 227 N 0.73 3.71 -0.06 9.38 0.00 -0.21 -0.64 121.76 134.68 1f8i s ALA 227 Ca -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1f8i s ALA 227 Cb -0.15 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 1f8i s ALA 227 CO 0.02 0.24 -0.19 0.50 0.00 0.00 0.00 175.76 176.33 1f8i s ARG 228 N 0.11 2.08 -0.06 0.00 3.52 -0.01 -0.62 118.95 123.96 1f8i s ARG 228 Ca 0.10 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1f8i s ARG 228 Cb -0.11 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.50 1f8i s ARG 228 CO -0.00 0.23 -0.12 -0.08 -0.81 0.00 0.00 175.30 174.52 1f8i s THR 229 N 0.12 3.26 -0.21 4.11 -1.32 -0.21 -2.33 115.64 119.05 1f8i s THR 229 Ca -0.07 -0.65 0.17 0.00 -1.21 0.00 0.00 61.69 59.93 1f8i s THR 229 Cb -0.13 -2.29 0.50 0.00 -1.51 0.00 0.00 72.50 69.06 1f8i s THR 229 CO 0.04 0.59 1.39 0.47 -2.21 0.00 0.00 174.62 174.90 1f8i n ASP 230 N 2.30 3.71 0.12 8.08 8.00 -1.26 -2.50 116.55 134.99 1f8i n ASP 230 Ca -0.17 -2.97 0.11 0.00 0.71 0.00 0.00 54.79 52.47 1f8i n ASP 230 Cb 0.52 -0.52 0.47 0.00 -0.02 0.00 0.00 41.12 41.58 1f8i n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f8i n ALA 231 N -0.53 1.67 -0.32 2.24 0.00 -1.26 -2.32 120.51 119.99 1f8i n ALA 231 Ca 0.20 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.67 1f8i n ALA 231 Cb 0.85 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 19.00 1f8i n ALA 231 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1f8i h GLU 232 N 0.00 1.17 0.00 0.00 4.22 -1.81 -2.92 114.58 115.25 1f8i h GLU 232 Ca 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 1f8i h GLU 232 Cb 0.36 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1f8i h GLU 232 CO 0.00 0.83 -1.36 0.00 -2.18 0.00 0.00 179.01 176.30 1f8i n ALA 233 N -2.37 2.20 -1.80 2.92 0.00 -1.21 -2.09 120.51 118.16 1f8i n ALA 233 Ca 0.09 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1f8i n ALA 233 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1f8i n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f8i s ALA 234 N -2.45 3.68 -0.78 0.00 0.00 -0.98 -4.87 121.76 116.35 1f8i s ALA 234 Ca -0.03 1.30 0.16 0.00 0.00 0.00 0.00 51.96 53.38 1f8i s ALA 234 Cb 0.04 -3.76 0.55 0.00 0.00 0.00 0.00 23.12 19.95 1f8i s ALA 234 CO 0.30 -1.29 1.47 0.25 0.00 0.00 0.00 175.76 176.49 1f8i n THR 235 N 5.01 1.75 -3.98 0.00 -2.24 -1.26 -4.07 114.28 109.50 1f8i n THR 235 Ca 0.18 -1.34 -0.10 0.00 -2.27 0.00 0.00 64.05 60.51 1f8i n THR 235 Cb 0.40 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 1f8i n THR 235 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f8i s LEU 236 N -1.91 2.20 -0.03 3.22 1.43 -1.24 -1.61 118.68 120.75 1f8i s LEU 236 Ca 0.41 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1f8i s LEU 236 Cb 0.28 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.56 1f8i s LEU 236 CO 0.17 -0.24 0.13 -0.51 0.23 0.00 0.00 176.35 176.13 1f8i s ILE 237 N -1.22 0.03 0.31 -0.59 2.07 -0.25 -0.12 121.20 121.44 1f8i s ILE 237 Ca -0.13 -0.28 0.05 0.00 -1.41 0.00 0.00 60.65 58.88 1f8i s ILE 237 Cb -0.08 -0.28 0.09 0.00 0.13 0.00 0.00 42.46 42.32 1f8i s ILE 237 CO -0.01 -0.15 1.78 0.71 -1.91 0.00 0.00 174.94 175.36 1f8i h THR 238 N 4.70 1.25 -3.46 4.00 1.35 -1.37 0.55 112.91 119.93 1f8i h THR 238 Ca -0.27 -1.15 -0.08 0.00 -0.55 0.00 0.00 66.41 64.36 1f8i h THR 238 Cb 1.20 1.33 -0.15 0.00 -1.73 0.00 0.00 68.15 68.80 1f8i h THR 238 CO 0.41 0.36 -0.22 -0.55 -0.25 0.00 0.00 175.52 175.28 1f8i s SER 239 N -6.83 -0.10 -0.20 5.36 0.15 -1.26 -4.57 113.70 106.26 1f8i s SER 239 Ca -0.06 -0.35 0.16 0.00 0.70 0.00 0.00 55.95 56.39 1f8i s SER 239 Cb 0.14 0.39 0.54 0.00 -1.71 0.00 0.00 66.02 65.38 1f8i s SER 239 CO 0.77 -0.73 1.45 -0.90 1.20 0.00 0.00 173.24 175.03 1f8i n ASP 240 N 0.14 3.78 0.13 5.45 5.75 -1.26 -4.65 116.55 125.90 1f8i n ASP 240 Ca -0.17 -3.11 0.01 0.00 -0.01 0.00 0.00 54.79 51.51 1f8i n ASP 240 Cb 0.62 -0.57 0.33 0.00 -1.03 0.00 0.00 41.12 40.47 1f8i n ASP 240 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1f8i h VAL 241 N 1.76 1.25 -3.33 2.12 3.04 -2.00 -3.43 116.25 115.66 1f8i h VAL 241 Ca 0.04 -1.18 -0.58 0.00 -1.01 0.00 0.00 66.70 63.97 1f8i h VAL 241 Cb 1.51 1.52 -0.07 0.00 -2.01 0.00 0.00 31.29 32.24 1f8i h VAL 241 CO 0.27 0.35 0.30 -0.62 -1.01 0.00 0.00 177.57 176.86 1f8i s ASP 242 N -6.90 6.94 0.56 3.17 -1.08 -1.26 -4.93 116.67 113.16 1f8i s ASP 242 Ca -0.04 1.14 0.30 0.00 -0.52 0.00 0.00 52.55 53.43 1f8i s ASP 242 Cb 0.14 -2.44 1.64 0.00 -1.46 0.00 0.00 42.92 40.81 1f8i s ASP 242 CO 0.74 -0.33 2.15 -0.33 0.52 0.00 0.00 175.17 177.92 1f8i h GLU 243 N 7.25 0.00 0.00 4.34 5.08 -2.00 -1.68 114.58 127.57 1f8i h GLU 243 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1f8i h GLU 243 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1f8i h GLU 243 CO 0.81 0.07 0.00 0.54 -1.00 0.00 0.00 179.01 179.43 1f8i n ARG 244 N -3.64 0.17 -0.03 2.33 1.74 -1.26 -3.22 116.66 112.75 1f8i n ARG 244 Ca -0.02 0.31 0.04 0.00 -0.77 0.00 0.00 57.85 57.41 1f8i n ARG 244 Cb 0.18 -1.77 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 1f8i n ARG 244 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1f8i n ASP 245 N -2.08 0.83 -0.10 0.55 8.00 -0.65 -4.55 116.55 118.55 1f8i n ASP 245 Ca 0.04 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.68 1f8i n ASP 245 Cb 0.29 1.58 0.53 0.00 -0.02 0.00 0.00 41.12 43.50 1f8i n ASP 245 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1f8i h GLN 246 N 0.00 0.34 -0.03 -1.24 4.20 -1.48 -1.13 115.11 115.78 1f8i h GLN 246 Ca -0.13 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1f8i h GLN 246 Cb 1.17 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1f8i h GLN 246 CO 0.01 0.23 0.08 -1.35 -0.67 0.00 0.00 178.83 177.12 1f8i h PRO 247 N 0.35 0.00 0.00 1.46 0.11 -1.80 -1.45 132.00 130.67 1f8i h PRO 247 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1f8i h PRO 247 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1f8i h PRO 247 CO -0.08 0.00 -1.02 1.19 -0.21 0.00 0.00 178.00 177.88 1f8i n PHE 248 N -3.34 0.00 -2.37 0.65 3.72 -0.44 -4.95 117.46 110.74 1f8i n PHE 248 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1f8i n PHE 248 Cb 0.15 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1f8i n PHE 248 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1f8i s ILE 249 N -2.99 3.91 -0.34 4.37 -1.09 -0.55 0.06 121.20 124.57 1f8i s ILE 249 Ca 0.07 1.35 0.23 0.00 -2.23 0.00 0.00 60.65 60.07 1f8i s ILE 249 Cb 0.16 -3.87 0.18 0.00 -1.58 0.00 0.00 42.46 37.34 1f8i s ILE 249 CO 0.86 0.08 1.34 0.71 -1.23 0.00 0.00 174.94 176.70 1f8i h THR 250 N 4.57 0.02 0.00 2.92 1.35 -1.61 -3.48 112.91 116.68 1f8i h THR 250 Ca -0.40 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1f8i h THR 250 Cb 1.20 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1f8i h THR 250 CO 0.84 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1f8i n GLY 251 N 1.14 3.20 3.81 5.82 0.00 -1.26 -5.05 105.19 112.85 1f8i n GLY 251 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1f8i n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f8i s GLU 252 N -0.68 3.55 0.01 1.61 2.02 -1.26 -4.94 118.70 119.00 1f8i s GLU 252 Ca 0.00 1.18 0.02 0.00 0.02 0.00 0.00 54.97 56.18 1f8i s GLU 252 Cb 0.00 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 1f8i s GLU 252 CO 0.00 -0.62 -0.06 1.03 0.02 0.00 0.00 175.26 175.62 1f8i s ARG 253 N -3.92 0.49 0.68 1.61 1.81 -1.26 -1.79 118.95 116.56 1f8i s ARG 253 Ca 0.63 -0.39 -0.05 0.00 -1.72 0.00 0.00 55.73 54.21 1f8i s ARG 253 Cb -0.15 -0.40 0.06 0.00 -0.45 0.00 0.00 34.95 34.01 1f8i s ARG 253 CO 0.33 0.10 0.97 0.95 -0.68 0.00 0.00 175.30 176.97 1f8i s THR 254 N -0.53 2.34 0.55 0.02 -4.23 -0.48 -4.93 115.64 108.37 1f8i s THR 254 Ca -0.02 -0.35 0.22 0.00 -1.18 0.00 0.00 61.69 60.36 1f8i s THR 254 Cb -0.05 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.12 1f8i s THR 254 CO 0.00 0.00 2.18 0.03 -0.54 0.00 0.00 174.62 176.29 1f8i h ARG 255 N -0.49 0.00 0.00 3.99 3.08 -2.02 -0.23 114.38 118.71 1f8i h ARG 255 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1f8i h ARG 255 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1f8i h ARG 255 CO 0.57 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 1f8i n GLU 256 N -4.25 0.09 -0.01 0.04 4.71 -1.26 -4.90 120.64 115.06 1f8i n GLU 256 Ca -0.02 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1f8i n GLU 256 Cb 0.13 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1f8i n GLU 256 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1f8i n GLY 257 N 1.32 0.75 3.80 0.62 0.00 -0.10 -5.08 105.19 106.50 1f8i n GLY 257 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1f8i n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8i s PHE 258 N -2.01 2.96 -0.15 1.61 0.08 -1.26 -4.76 117.98 114.45 1f8i s PHE 258 Ca 0.00 1.50 -0.07 0.00 0.12 0.00 0.00 56.93 58.49 1f8i s PHE 258 Cb 0.00 -3.00 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 1f8i s PHE 258 CO 0.00 -1.21 0.07 0.71 -0.10 0.00 0.00 175.22 174.70 1f8i s TYR 259 N -2.55 3.32 0.24 0.36 1.51 0.18 -1.38 117.35 119.04 1f8i s TYR 259 Ca 0.63 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 56.61 1f8i s TYR 259 Cb -0.16 -2.01 -0.09 0.00 -0.11 0.00 0.00 41.96 39.59 1f8i s TYR 259 CO 0.41 0.34 1.19 1.03 -1.11 0.00 0.00 175.55 177.41 1f8i s ARG 260 N -0.14 4.51 0.05 -0.62 1.81 -0.74 -1.09 118.95 122.74 1f8i s ARG 260 Ca 0.08 1.92 0.03 0.00 -1.72 0.00 0.00 55.73 56.03 1f8i s ARG 260 Cb -0.12 -3.19 -0.03 0.00 -0.45 0.00 0.00 34.95 31.16 1f8i s ARG 260 CO 0.01 -0.01 -0.09 -0.08 -0.68 0.00 0.00 175.30 174.45 1f8i s THR 261 N -0.59 0.64 -0.44 0.02 -1.32 -0.63 -1.59 115.64 111.73 1f8i s THR 261 Ca 0.50 -1.15 -0.28 0.00 -1.21 0.00 0.00 61.69 59.55 1f8i s THR 261 Cb -0.34 -0.72 0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1f8i s THR 261 CO 0.41 -0.37 1.07 -0.54 -2.21 0.00 0.00 174.62 172.98 1f8i s LYS 262 N -1.68 3.76 0.71 7.08 1.02 0.11 -4.43 119.74 126.31 1f8i s LYS 262 Ca -0.08 0.58 -0.10 0.00 0.02 0.00 0.00 55.97 56.39 1f8i s LYS 262 Cb -0.10 -3.87 0.04 0.00 -0.52 0.00 0.00 37.83 33.38 1f8i s LYS 262 CO 0.01 -1.23 1.08 0.54 -0.92 0.00 0.00 175.35 174.82 1f8i s ASN 263 N 2.24 5.16 0.00 2.83 4.22 -1.26 -4.74 114.94 123.39 1f8i s ASN 263 Ca 0.45 0.90 0.00 0.00 -2.14 0.00 0.00 52.86 52.07 1f8i s ASN 263 Cb -0.09 -1.64 0.00 0.00 1.28 0.00 0.00 41.25 40.80 1f8i s ASN 263 CO 0.27 -1.47 0.00 0.61 -2.04 0.00 0.00 177.10 174.47 1f8i n GLY 264 N -3.01 0.41 0.15 0.45 0.00 -0.89 -4.89 105.19 97.41 1f8i n GLY 264 Ca 0.07 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.29 1f8i n GLY 264 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1f8i h ILE 265 N 0.00 1.15 -0.14 -0.61 2.10 -1.88 -3.25 117.51 114.87 1f8i h ILE 265 Ca 0.00 -2.03 0.03 0.00 1.08 0.00 0.00 64.86 63.93 1f8i h ILE 265 Cb 0.00 2.18 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 1f8i h ILE 265 CO 0.00 0.53 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.50 1f8i h GLU 266 N 0.00 0.02 -0.26 2.19 4.81 -1.95 0.87 114.58 120.26 1f8i h GLU 266 Ca -0.01 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1f8i h GLU 266 Cb 1.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1f8i h GLU 266 CO 0.07 0.01 -0.09 -1.35 -0.73 0.00 0.00 179.01 176.92 1f8i h PRO 267 N 0.02 0.42 -0.44 0.92 0.11 -1.85 -2.27 132.00 128.92 1f8i h PRO 267 Ca 0.07 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1f8i h PRO 267 Cb 0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1f8i h PRO 267 CO -0.13 0.52 0.16 0.00 -0.21 0.00 0.00 178.00 178.34 1f8i h ILE 269 N 0.57 1.22 -0.36 0.00 2.04 -0.59 0.19 117.51 120.59 1f8i h ILE 269 Ca 0.14 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1f8i h ILE 269 Cb 0.23 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1f8i h ILE 269 CO -0.01 0.27 0.13 0.00 0.00 0.00 0.00 178.15 178.54 1f8i h ALA 270 N 1.02 0.46 -0.44 1.87 0.00 -1.25 -1.69 119.26 119.24 1f8i h ALA 270 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1f8i h ALA 270 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1f8i h ALA 270 CO -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.22 1f8i h ARG 271 N 0.42 0.78 -0.56 0.00 3.08 -1.01 -2.20 114.38 114.90 1f8i h ARG 271 Ca 0.12 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1f8i h ARG 271 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1f8i h ARG 271 CO -0.01 0.85 0.28 0.00 -1.07 0.00 0.00 179.97 180.03 1f8i h ALA 272 N 1.18 0.72 -0.36 0.04 0.00 -0.72 0.67 119.26 120.78 1f8i h ALA 272 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1f8i h ALA 272 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1f8i h ALA 272 CO 0.04 0.27 -0.02 0.87 0.00 0.00 0.00 179.25 180.40 1f8i h LYS 273 N 0.76 0.58 -0.08 0.00 1.57 -1.11 0.99 116.57 119.28 1f8i h LYS 273 Ca 0.19 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1f8i h LYS 273 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1f8i h LYS 273 CO -0.03 0.62 -0.62 0.00 -0.57 0.00 0.00 179.45 178.86 1f8i h ALA 274 N 1.43 0.79 0.00 3.86 0.00 -0.74 -3.18 119.26 121.42 1f8i h ALA 274 Ca 0.11 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1f8i h ALA 274 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1f8i h ALA 274 CO 0.02 0.73 -0.82 1.88 0.00 0.00 0.00 179.25 181.06 1f8i h TYR 275 N 0.21 0.00 -0.75 0.00 0.05 -0.42 -3.40 116.97 112.67 1f8i h TYR 275 Ca -0.01 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.88 1f8i h TYR 275 Cb 1.14 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.76 1f8i h TYR 275 CO 0.03 0.60 -0.32 0.00 -1.05 0.00 0.00 178.16 177.42 1f8i n ALA 276 N -2.29 -0.15 0.28 3.88 0.00 0.30 0.59 120.51 123.12 1f8i n ALA 276 Ca -0.02 0.74 0.17 0.00 0.00 0.00 0.00 53.44 54.33 1f8i n ALA 276 Cb 0.80 -0.30 0.89 0.00 0.00 0.00 0.00 19.45 20.83 1f8i n ALA 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f8i h PRO 277 N 0.00 0.00 -0.25 0.00 0.11 -1.79 -2.38 132.00 127.69 1f8i h PRO 277 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1f8i h PRO 277 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1f8i h PRO 277 CO -0.74 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.24 1f8i n PHE 278 N -2.72 0.40 -4.04 0.65 3.72 0.20 -1.29 117.46 114.38 1f8i n PHE 278 Ca -0.02 -0.56 -0.18 0.00 -0.05 0.00 0.00 57.45 56.65 1f8i n PHE 278 Cb 0.09 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.41 1f8i n PHE 278 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f8i s ALA 279 N -1.26 0.45 0.02 4.37 0.00 -0.88 -4.84 121.76 119.63 1f8i s ALA 279 Ca 0.21 0.05 0.21 0.00 0.00 0.00 0.00 51.96 52.43 1f8i s ALA 279 Cb 0.12 -0.33 0.65 0.00 0.00 0.00 0.00 23.12 23.57 1f8i s ALA 279 CO 0.11 -0.03 1.71 -0.44 0.00 0.00 0.00 175.76 177.12 1f8i h ASP 280 N 7.08 0.00 -4.38 0.00 3.32 -1.05 -3.45 116.42 117.95 1f8i h ASP 280 Ca -0.40 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 1f8i h ASP 280 Cb 1.15 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 1f8i h ASP 280 CO 0.48 0.29 -0.27 -0.76 -1.72 0.00 0.00 179.24 177.26 1f8i s LEU 281 N -6.68 0.69 -0.03 1.55 1.43 -1.16 -4.25 118.68 110.24 1f8i s LEU 281 Ca 0.02 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 1f8i s LEU 281 Cb 0.09 1.28 -0.02 0.00 0.03 0.00 0.00 46.19 47.57 1f8i s LEU 281 CO 0.67 -0.28 -0.26 -0.63 0.23 0.00 0.00 176.35 176.09 1f8i s ILE 282 N -0.50 2.04 -0.03 -0.59 1.01 -0.98 -1.04 121.20 121.11 1f8i s ILE 282 Ca -0.06 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.50 1f8i s ILE 282 Cb -0.04 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1f8i s ILE 282 CO 0.02 0.58 -0.02 0.86 0.00 0.00 0.00 174.94 176.38 1f8i s TRP 283 N -0.53 0.44 -0.10 3.97 -0.00 0.21 -1.19 118.94 121.73 1f8i s TRP 283 Ca 0.08 -0.06 0.03 0.00 -0.00 0.00 0.00 56.10 56.14 1f8i s TRP 283 Cb -0.11 -0.45 -0.01 0.00 -0.00 0.00 0.00 33.47 32.90 1f8i s TRP 283 CO -0.00 -0.13 -0.19 0.00 -0.00 0.00 0.00 176.95 176.63 1f8i s MET 284 N 0.83 3.06 0.36 5.86 0.23 -1.26 -1.04 119.30 127.34 1f8i s MET 284 Ca -0.09 -0.78 -0.26 0.00 -1.03 0.00 0.00 55.69 53.53 1f8i s MET 284 Cb -0.12 -2.43 -0.09 0.00 -1.53 0.00 0.00 34.83 30.66 1f8i s MET 284 CO -0.01 0.27 1.02 -1.21 -2.03 0.00 0.00 175.02 173.07 1f8i s GLU 285 N 0.16 4.37 0.13 3.16 0.41 -1.04 -4.85 118.70 121.04 1f8i s GLU 285 Ca -0.10 1.50 0.06 0.00 -0.41 0.00 0.00 54.97 56.02 1f8i s GLU 285 Cb -0.16 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.43 1f8i s GLU 285 CO 0.06 0.04 -0.15 0.95 -0.49 0.00 0.00 175.26 175.68 1f8i s THR 286 N -1.56 1.42 -0.80 3.63 -4.23 -1.26 -4.57 115.64 108.27 1f8i s THR 286 Ca 0.53 -1.75 0.26 0.00 -1.18 0.00 0.00 61.69 59.56 1f8i s THR 286 Cb -0.23 -1.59 0.22 0.00 1.34 0.00 0.00 72.50 72.24 1f8i s THR 286 CO 0.29 -0.39 1.71 0.61 -0.54 0.00 0.00 174.62 176.29 1f8i n GLY 287 N 0.50 -1.58 3.31 3.99 0.00 -1.26 -4.90 105.19 105.26 1f8i n GLY 287 Ca -0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1f8i n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f8i s THR 288 N -3.08 0.07 -0.76 2.61 -4.23 -1.26 -4.95 115.64 104.03 1f8i s THR 288 Ca 0.11 -0.54 -0.27 0.00 -1.18 0.00 0.00 61.69 59.81 1f8i s THR 288 Cb 0.14 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1f8i s THR 288 CO 0.61 -0.30 1.29 -2.16 -0.54 0.00 0.00 174.62 173.52 1f8i s PRO 289 N -2.97 3.22 -0.20 3.99 0.04 -1.26 -4.96 135.00 132.86 1f8i s PRO 289 Ca -0.02 -0.33 -0.00 0.00 0.04 0.00 0.00 61.00 60.69 1f8i s PRO 289 Cb 0.00 -4.29 0.05 0.00 0.04 0.00 0.00 34.50 30.31 1f8i s PRO 289 CO -0.06 -2.15 -0.05 0.34 0.04 0.00 0.00 177.00 175.12 1f8i s ASP 290 N 3.85 3.25 0.42 6.66 -1.08 -1.26 -4.90 116.67 123.61 1f8i s ASP 290 Ca 0.36 -0.88 0.14 0.00 -0.52 0.00 0.00 52.55 51.65 1f8i s ASP 290 Cb -0.07 -1.01 0.90 0.00 -1.46 0.00 0.00 42.92 41.28 1f8i s ASP 290 CO 0.13 -0.21 1.93 -0.07 0.52 0.00 0.00 175.17 177.46 1f8i h LEU 291 N 8.06 0.00 -0.08 -1.34 3.38 -1.98 -1.62 115.31 121.73 1f8i h LEU 291 Ca -0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 1f8i h LEU 291 Cb 1.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 1f8i h LEU 291 CO 0.41 0.26 -0.86 -0.08 0.09 0.00 0.00 178.44 178.25 1f8i h GLU 292 N 0.00 0.73 -0.65 1.13 4.22 -1.99 -1.23 114.58 116.79 1f8i h GLU 292 Ca -0.00 -0.67 -0.05 0.00 0.08 0.00 0.00 59.36 58.71 1f8i h GLU 292 Cb 0.46 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1f8i h GLU 292 CO 0.03 1.27 0.22 0.00 -2.18 0.00 0.00 179.01 178.35 1f8i h ALA 293 N 0.47 0.85 -0.84 2.92 0.00 -1.94 0.17 119.26 120.90 1f8i h ALA 293 Ca -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1f8i h ALA 293 Cb 1.51 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1f8i h ALA 293 CO 0.17 0.52 0.44 0.00 0.00 0.00 0.00 179.25 180.38 1f8i h ALA 294 N 1.09 1.20 -0.33 0.00 0.00 -1.23 -0.81 119.26 119.17 1f8i h ALA 294 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1f8i h ALA 294 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1f8i h ALA 294 CO -0.01 0.63 0.04 -0.09 0.00 0.00 0.00 179.25 179.82 1f8i h ARG 295 N 1.18 0.56 -0.16 0.00 2.43 -0.67 0.13 114.38 117.85 1f8i h ARG 295 Ca 0.29 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1f8i h ARG 295 Cb 0.05 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1f8i h ARG 295 CO -0.04 0.66 -0.11 0.37 -1.51 0.00 0.00 179.97 179.33 1f8i h GLN 296 N 0.38 -0.11 -0.08 0.20 4.15 -0.43 0.55 115.11 119.76 1f8i h GLN 296 Ca 0.10 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1f8i h GLN 296 Cb 0.38 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1f8i h GLN 296 CO 0.01 -0.07 0.03 0.35 -1.93 0.00 0.00 178.83 177.22 1f8i h PHE 297 N -0.11 0.13 -0.06 3.99 3.57 -1.07 -2.51 116.94 120.88 1f8i h PHE 297 Ca 0.10 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1f8i h PHE 297 Cb 0.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1f8i h PHE 297 CO -0.25 0.24 -0.02 1.03 -2.23 0.00 0.00 178.31 177.08 1f8i h SER 298 N -0.02 -0.07 -0.34 0.41 0.87 -0.66 -2.18 113.55 111.56 1f8i h SER 298 Ca 0.03 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1f8i h SER 298 Cb 0.17 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1f8i h SER 298 CO -0.00 -0.03 0.18 -0.33 -0.53 0.00 0.00 176.83 176.12 1f8i h GLU 299 N -0.01 0.48 -0.89 2.24 5.08 -0.94 0.46 114.58 121.01 1f8i h GLU 299 Ca 0.03 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1f8i h GLU 299 Cb 0.05 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1f8i h GLU 299 CO -0.07 0.41 0.55 0.00 -1.00 0.00 0.00 179.01 178.91 1f8i h ALA 300 N 1.04 1.23 -0.01 3.43 0.00 -1.33 -0.10 119.26 123.52 1f8i h ALA 300 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1f8i h ALA 300 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1f8i h ALA 300 CO -0.02 0.29 -0.17 0.28 0.00 0.00 0.00 179.25 179.64 1f8i h VAL 301 N 1.00 1.53 0.00 0.00 2.07 -1.16 -3.16 116.25 116.53 1f8i h VAL 301 Ca 0.39 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1f8i h VAL 301 Cb 0.20 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1f8i h VAL 301 CO -0.18 0.49 0.00 0.29 0.02 0.00 0.00 177.57 178.19 1f8i n LYS 302 N -4.58 0.06 0.08 1.57 5.02 0.13 -1.49 118.16 118.94 1f8i n LYS 302 Ca -0.09 0.38 0.01 0.00 -2.02 0.00 0.00 58.31 56.59 1f8i n LYS 302 Cb 0.45 -1.63 0.35 0.00 -0.02 0.00 0.00 35.03 34.18 1f8i n LYS 302 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f8i h ALA 303 N 2.28 1.44 0.00 7.82 0.00 -0.98 -2.69 119.26 127.14 1f8i h ALA 303 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1f8i h ALA 303 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f8i h ALA 303 CO 0.00 0.39 -1.54 0.39 0.00 0.00 0.00 179.25 178.49 1f8i n GLU 304 N -4.27 0.56 -3.45 0.00 1.02 -0.75 -4.80 120.64 108.95 1f8i n GLU 304 Ca -0.00 -0.11 -0.28 0.00 -0.02 0.00 0.00 57.16 56.75 1f8i n GLU 304 Cb 0.27 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 1f8i n GLU 304 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1f8i s TYR 305 N -2.88 1.25 0.33 -0.32 2.02 -0.56 -5.01 117.35 112.19 1f8i s TYR 305 Ca -0.04 -2.29 0.08 0.00 -0.37 0.00 0.00 57.07 54.44 1f8i s TYR 305 Cb 0.09 -1.09 0.78 0.00 -0.40 0.00 0.00 41.96 41.34 1f8i s TYR 305 CO 0.55 -0.81 1.83 -1.35 -1.57 0.00 0.00 175.55 174.21 1f8i h PRO 306 N 5.89 0.71 -0.09 -1.71 0.11 -1.74 -2.06 132.00 133.11 1f8i h PRO 306 Ca 0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1f8i h PRO 306 Cb 0.91 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1f8i h PRO 306 CO 0.38 0.47 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 1f8i n ASP 307 N -4.62 1.55 -4.61 -2.05 8.00 -1.26 -4.89 116.55 108.66 1f8i n ASP 307 Ca 0.20 -1.59 -0.43 0.00 0.71 0.00 0.00 54.79 53.68 1f8i n ASP 307 Cb 0.51 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 1f8i n ASP 307 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1f8i s GLN 308 N -1.90 3.64 0.54 -1.24 2.00 -0.77 -5.00 119.66 116.94 1f8i s GLN 308 Ca 0.35 1.37 -0.15 0.00 -2.00 0.00 0.00 55.36 54.93 1f8i s GLN 308 Cb 0.19 -4.05 -0.07 0.00 0.80 0.00 0.00 33.01 29.88 1f8i s GLN 308 CO 0.30 -1.48 1.00 -1.64 -0.50 0.00 0.00 175.29 172.97 1f8i s MET 309 N 4.91 3.83 0.28 1.67 -1.94 -1.26 -4.90 119.30 121.89 1f8i s MET 309 Ca 0.69 0.92 0.06 0.00 -1.71 0.00 0.00 55.69 55.65 1f8i s MET 309 Cb -0.20 -2.12 -0.06 0.00 2.01 0.00 0.00 34.83 34.46 1f8i s MET 309 CO 0.30 -0.37 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.39 1f8i s LEU 310 N -4.35 2.46 0.03 -0.03 1.43 -0.67 -2.32 118.68 115.23 1f8i s LEU 310 Ca 0.58 -1.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1f8i s LEU 310 Cb -0.10 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 1f8i s LEU 310 CO 0.37 -0.37 -0.15 0.00 0.23 0.00 0.00 176.35 176.43 1f8i s ALA 311 N -3.04 1.22 -0.03 4.21 0.00 -0.33 -1.48 121.76 122.31 1f8i s ALA 311 Ca 0.30 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1f8i s ALA 311 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1f8i s ALA 311 CO 0.12 0.25 -0.11 -0.47 0.00 0.00 0.00 175.76 175.56 1f8i s TYR 312 N -0.75 1.07 -0.59 0.00 6.14 0.21 -4.42 117.35 119.00 1f8i s TYR 312 Ca 0.03 -0.27 -0.17 0.00 0.64 0.00 0.00 57.07 57.30 1f8i s TYR 312 Cb -0.07 -0.74 0.13 0.00 0.42 0.00 0.00 41.96 41.69 1f8i s TYR 312 CO 0.01 -0.10 0.62 1.21 0.64 0.00 0.00 175.55 177.94 1f8i s ASN 313 N 0.11 6.24 -1.31 4.32 2.47 -1.26 -2.06 114.94 123.45 1f8i s ASN 313 Ca -0.02 -1.72 -0.17 0.00 0.42 0.00 0.00 52.86 51.37 1f8i s ASN 313 Cb -0.08 -2.25 0.02 0.00 -1.45 0.00 0.00 41.25 37.48 1f8i s ASN 313 CO 0.01 -0.95 2.02 0.00 -3.72 0.00 0.00 177.10 174.45 1f8i s SER 315 N 3.96 6.80 0.00 0.00 0.15 -1.26 -4.31 113.70 119.04 1f8i s SER 315 Ca 0.52 2.51 0.21 0.00 0.70 0.00 0.00 55.95 59.89 1f8i s SER 315 Cb 0.10 -2.62 1.04 0.00 -1.71 0.00 0.00 66.02 62.83 1f8i s SER 315 CO 0.00 -0.60 1.66 -2.65 1.20 0.00 0.00 173.24 172.86 1f8i n PRO 316 N 2.50 0.28 0.00 5.44 -0.02 -1.26 -2.09 135.00 139.84 1f8i n PRO 316 Ca 0.06 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 1f8i n PRO 316 Cb 0.42 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 33.07 1f8i n PRO 316 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1f8i n SER 317 N -1.30 0.00 -4.84 2.55 7.64 -1.26 -4.67 113.62 111.74 1f8i n SER 317 Ca 0.10 -0.38 -0.34 0.00 1.01 0.00 0.00 58.87 59.25 1f8i n SER 317 Cb 0.17 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 1f8i n SER 317 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1f8i s PHE 318 N -2.32 3.43 -1.07 1.43 0.08 -0.89 -5.03 117.98 113.61 1f8i s PHE 318 Ca 0.30 0.32 -0.13 0.00 0.12 0.00 0.00 56.93 57.54 1f8i s PHE 318 Cb 0.17 -1.81 0.21 0.00 -0.57 0.00 0.00 43.02 41.02 1f8i s PHE 318 CO 0.34 0.61 1.17 1.21 -0.10 0.00 0.00 175.22 178.46 1f8i s ASN 319 N -1.62 7.04 0.17 1.36 3.04 -1.26 -4.93 114.94 118.74 1f8i s ASN 319 Ca 0.22 -3.00 -0.28 0.00 0.04 0.00 0.00 52.86 49.84 1f8i s ASN 319 Cb -0.12 -2.31 -0.01 0.00 -1.54 0.00 0.00 41.25 37.27 1f8i s ASN 319 CO 0.13 -0.61 1.55 -0.50 -3.04 0.00 0.00 177.10 174.62 1f8i h TRP 320 N 7.35 -1.60 0.00 0.43 4.06 -1.93 0.51 115.95 124.77 1f8i h TRP 320 Ca 0.21 0.11 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1f8i h TRP 320 Cb 0.92 0.81 0.00 0.00 -1.00 0.00 0.00 29.16 29.89 1f8i h TRP 320 CO 0.99 -0.41 0.00 1.63 -3.56 0.00 0.00 178.44 177.08 1f8i n LYS 321 N -5.34 0.02 0.06 0.49 5.02 -1.26 -0.69 118.16 116.46 1f8i n LYS 321 Ca 0.02 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1f8i n LYS 321 Cb 0.32 -1.54 0.22 0.00 -0.02 0.00 0.00 35.03 34.01 1f8i n LYS 321 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1f8i n LYS 322 N -1.58 0.26 -0.05 1.97 4.81 0.16 -4.31 118.16 119.42 1f8i n LYS 322 Ca 0.02 0.10 -0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1f8i n LYS 322 Cb 0.10 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.42 1f8i n LYS 322 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1f8i n HIS 323 N -2.08 0.00 -4.56 5.64 8.25 -0.34 -5.08 115.22 117.06 1f8i n HIS 323 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 1f8i n HIS 323 Cb 0.43 -0.36 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 1f8i n HIS 323 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f8i s LEU 324 N -5.58 2.71 0.33 2.41 1.43 0.13 -5.11 118.68 115.00 1f8i s LEU 324 Ca -0.13 -1.31 0.06 0.00 -1.03 0.00 0.00 54.13 51.72 1f8i s LEU 324 Cb 0.03 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 1f8i s LEU 324 CO 0.21 -0.40 0.46 1.51 0.23 0.00 0.00 176.35 178.37 1f8i s ASP 325 N -3.63 6.02 0.58 2.29 1.47 -1.26 -4.40 116.67 117.74 1f8i s ASP 325 Ca 0.34 -0.12 0.28 0.00 1.18 0.00 0.00 52.55 54.23 1f8i s ASP 325 Cb 0.07 -1.34 1.70 0.00 -0.34 0.00 0.00 42.92 43.01 1f8i s ASP 325 CO 0.17 -0.39 2.19 0.44 0.68 0.00 0.00 175.17 178.25 1f8i h ASP 326 N 0.91 0.00 -0.14 2.11 3.32 -1.97 -0.77 116.42 119.87 1f8i h ASP 326 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1f8i h ASP 326 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1f8i h ASP 326 CO 0.54 0.00 -0.20 0.00 -1.72 0.00 0.00 179.24 177.86 1f8i h ALA 327 N 1.91 0.22 -0.22 3.45 0.00 -1.99 -2.14 119.26 120.49 1f8i h ALA 327 Ca 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1f8i h ALA 327 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f8i h ALA 327 CO -0.00 0.15 -0.25 1.15 0.00 0.00 0.00 179.25 180.30 1f8i h THR 328 N 0.00 1.32 -0.85 0.00 2.02 -1.82 -2.99 112.91 110.60 1f8i h THR 328 Ca 0.02 -1.43 0.13 0.00 0.77 0.00 0.00 66.41 65.90 1f8i h THR 328 Cb 0.76 1.74 -0.09 0.00 -1.74 0.00 0.00 68.15 68.82 1f8i h THR 328 CO 0.05 0.44 0.45 0.40 0.37 0.00 0.00 175.52 177.23 1f8i h ILE 329 N 0.25 0.78 0.00 3.11 2.04 -1.19 0.34 117.51 122.83 1f8i h ILE 329 Ca 0.03 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1f8i h ILE 329 Cb 0.81 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1f8i h ILE 329 CO 0.06 0.12 -0.38 0.00 0.00 0.00 0.00 178.15 177.95 1f8i h ALA 330 N 1.53 1.20 0.00 1.87 0.00 -1.31 -3.15 119.26 119.40 1f8i h ALA 330 Ca 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f8i h ALA 330 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1f8i h ALA 330 CO -0.33 0.47 -1.19 0.36 0.00 0.00 0.00 179.25 178.56 1f8i n LYS 331 N -3.84 0.69 -0.13 0.00 2.85 -0.70 -4.73 118.16 112.30 1f8i n LYS 331 Ca -0.01 -0.05 -0.03 0.00 -1.05 0.00 0.00 58.31 57.16 1f8i n LYS 331 Cb 0.44 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 1f8i n LYS 331 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1f8i n PHE 332 N -1.66 -0.13 -0.21 5.58 7.35 0.11 -0.74 117.46 127.75 1f8i n PHE 332 Ca 0.02 0.38 -0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1f8i n PHE 332 Cb 0.36 -0.44 0.23 0.00 0.35 0.00 0.00 39.48 39.98 1f8i n PHE 332 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1f8i h GLN 333 N 0.00 0.99 -0.51 -4.13 4.20 -1.85 -1.35 115.11 112.46 1f8i h GLN 333 Ca 0.05 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1f8i h GLN 333 Cb 0.13 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1f8i h GLN 333 CO -0.29 0.69 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.34 1f8i h LYS 334 N 1.01 0.87 0.38 1.46 3.64 -1.26 -1.74 116.57 120.93 1f8i h LYS 334 Ca 0.27 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1f8i h LYS 334 Cb -0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1f8i h LYS 334 CO -0.05 0.87 -0.18 0.93 -2.27 0.00 0.00 179.45 178.75 1f8i h GLU 335 N 0.81 -0.49 -1.00 1.90 4.39 -0.30 -2.10 114.58 117.79 1f8i h GLU 335 Ca 0.15 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.08 1f8i h GLU 335 Cb 0.48 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.14 1f8i h GLU 335 CO 0.02 -0.20 0.61 -0.07 -1.16 0.00 0.00 179.01 178.21 1f8i h LEU 336 N -0.74 0.77 -0.70 1.33 3.38 -1.18 0.33 115.31 118.51 1f8i h LEU 336 Ca -0.05 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1f8i h LEU 336 Cb 0.51 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1f8i h LEU 336 CO 0.08 0.26 0.30 0.00 0.09 0.00 0.00 178.44 179.18 1f8i h ALA 337 N 1.65 0.90 0.00 1.53 0.00 -1.17 -0.39 119.26 121.78 1f8i h ALA 337 Ca 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1f8i h ALA 337 Cb 0.93 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1f8i h ALA 337 CO -0.38 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1f8i n ALA 338 N -2.39 1.26 -0.76 0.00 0.00 0.11 -1.72 120.51 117.00 1f8i n ALA 338 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1f8i n ALA 338 Cb 0.16 -1.33 0.24 0.00 0.00 0.00 0.00 19.45 18.52 1f8i n ALA 338 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1f8i n MET 339 N -2.23 3.04 -0.16 0.00 2.81 -0.28 -4.96 117.12 115.33 1f8i n MET 339 Ca -0.00 -2.66 0.00 0.00 -1.81 0.00 0.00 57.70 53.23 1f8i n MET 339 Cb 0.10 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1f8i n MET 339 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f8i n GLY 340 N -0.12 0.61 3.52 3.03 0.00 -0.70 -4.86 105.19 106.67 1f8i n GLY 340 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1f8i n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8i s PHE 341 N -2.37 2.84 -0.77 1.61 0.08 -0.47 -1.66 117.98 117.23 1f8i s PHE 341 Ca 0.00 -1.27 0.26 0.00 0.12 0.00 0.00 56.93 56.04 1f8i s PHE 341 Cb 0.00 -4.55 0.84 0.00 -0.57 0.00 0.00 43.02 38.74 1f8i s PHE 341 CO 0.00 -1.73 1.77 1.63 -0.10 0.00 0.00 175.22 176.78 1f8i n LYS 342 N 7.80 0.23 -3.95 0.44 4.76 -0.55 -3.89 118.16 123.01 1f8i n LYS 342 Ca 0.34 0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 55.65 1f8i n LYS 342 Cb 0.49 -1.75 -0.16 0.00 -1.84 0.00 0.00 35.03 31.76 1f8i n LYS 342 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1f8i s PHE 343 N -3.09 2.18 0.06 2.13 5.36 -1.15 0.94 117.98 124.42 1f8i s PHE 343 Ca 0.11 -1.46 0.09 0.00 -0.96 0.00 0.00 56.93 54.71 1f8i s PHE 343 Cb 0.13 -1.52 -0.03 0.00 -0.34 0.00 0.00 43.02 41.26 1f8i s PHE 343 CO 0.60 -0.71 -0.25 -0.65 -1.46 0.00 0.00 175.22 172.75 1f8i s GLN 344 N 1.47 1.57 -0.06 10.12 -0.21 0.99 -0.62 119.66 132.92 1f8i s GLN 344 Ca -0.01 -1.11 -0.26 0.00 0.02 0.00 0.00 55.36 54.00 1f8i s GLN 344 Cb -0.16 -1.79 0.06 0.00 1.00 0.00 0.00 33.01 32.11 1f8i s GLN 344 CO -0.08 0.45 0.58 -0.59 -2.12 0.00 0.00 175.29 173.54 1f8i s PHE 345 N -0.87 -0.54 -0.54 0.91 -0.71 -0.88 -1.05 117.98 114.30 1f8i s PHE 345 Ca 0.11 0.98 -0.13 0.00 -1.04 0.00 0.00 56.93 56.85 1f8i s PHE 345 Cb -0.10 0.31 0.13 0.00 -1.21 0.00 0.00 43.02 42.16 1f8i s PHE 345 CO 0.03 -0.52 0.46 0.42 -1.34 0.00 0.00 175.22 174.27 1f8i s ILE 346 N -1.04 4.81 0.20 -4.49 1.01 -0.82 -0.95 121.20 119.92 1f8i s ILE 346 Ca -0.10 -1.73 -0.16 0.00 0.00 0.00 0.00 60.65 58.66 1f8i s ILE 346 Cb -0.02 -4.11 0.20 0.00 0.01 0.00 0.00 42.46 38.55 1f8i s ILE 346 CO 0.08 -0.85 1.62 0.71 0.00 0.00 0.00 174.94 176.50 1f8i h THR 347 N 5.88 0.32 -0.86 2.92 1.35 -1.89 -0.89 112.91 119.74 1f8i h THR 347 Ca -0.23 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.22 1f8i h THR 347 Cb 1.08 0.32 -0.25 0.00 -1.73 0.00 0.00 68.15 67.58 1f8i h THR 347 CO 0.94 0.00 0.48 0.18 -0.25 0.00 0.00 175.52 176.87 1f8i n LEU 348 N -5.43 6.26 -0.19 3.87 4.77 -1.26 -3.98 117.00 121.03 1f8i n LEU 348 Ca 0.06 -3.55 -0.04 0.00 -0.03 0.00 0.00 56.01 52.46 1f8i n LEU 348 Cb 0.33 -0.79 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 1f8i n LEU 348 CO 0.04 1.03 1.05 0.00 -1.33 0.00 0.00 177.39 178.18 1f8i h ALA 349 N 1.33 0.73 -0.49 -1.18 0.00 -1.74 -2.28 119.26 115.64 1f8i h ALA 349 Ca 0.51 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 1f8i h ALA 349 Cb 2.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 1f8i h ALA 349 CO 0.94 -0.03 -0.07 0.78 0.00 0.00 0.00 179.25 180.87 1f8i h GLY 350 N 0.58 1.00 0.97 0.00 0.00 -1.71 -0.28 103.07 103.63 1f8i h GLY 350 Ca 0.25 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1f8i h GLY 350 CO -0.16 0.73 0.16 -2.75 0.00 0.00 0.00 176.54 174.52 1f8i h PHE 351 N 0.78 0.31 -0.24 5.60 3.57 -1.80 0.73 116.94 125.88 1f8i h PHE 351 Ca 0.13 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.44 1f8i h PHE 351 Cb 0.62 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1f8i h PHE 351 CO 0.05 0.19 -0.61 0.45 -2.23 0.00 0.00 178.31 176.15 1f8i h HIS 352 N 0.34 1.09 -0.61 0.41 3.86 -1.38 0.11 115.15 118.96 1f8i h HIS 352 Ca 0.10 -0.42 -0.03 0.00 -1.16 0.00 0.00 60.37 58.86 1f8i h HIS 352 Cb -0.02 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1f8i h HIS 352 CO -0.07 1.25 0.25 0.00 0.86 0.00 0.00 177.93 180.22 1f8i h ALA 353 N 0.63 0.80 -0.13 2.45 0.00 -0.92 -0.34 119.26 121.74 1f8i h ALA 353 Ca -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1f8i h ALA 353 Cb 1.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1f8i h ALA 353 CO 0.13 0.41 -0.15 1.25 0.00 0.00 0.00 179.25 180.89 1f8i h LEU 354 N 0.85 0.37 -0.14 0.00 6.46 -0.81 -2.01 115.31 120.03 1f8i h LEU 354 Ca 0.20 -0.49 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1f8i h LEU 354 Cb 0.20 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1f8i h LEU 354 CO -0.02 0.79 -0.01 0.78 -0.62 0.00 0.00 178.44 179.36 1f8i h ASN 355 N -0.04 0.26 0.32 1.25 2.35 -0.92 -2.78 115.58 116.01 1f8i h ASN 355 Ca 0.02 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 1f8i h ASN 355 Cb 0.69 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1f8i h ASN 355 CO 0.04 0.52 -0.15 0.22 -1.65 0.00 0.00 177.43 176.40 1f8i h TYR 356 N -0.01 -0.40 -0.92 1.19 3.20 -1.14 -1.84 116.97 117.06 1f8i h TYR 356 Ca 0.04 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.07 1f8i h TYR 356 Cb 0.39 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.69 1f8i h TYR 356 CO 0.04 -0.15 0.50 0.66 -1.64 0.00 0.00 178.16 177.57 1f8i h SER 357 N -0.58 0.61 0.34 -2.11 4.64 -1.43 0.58 113.55 115.60 1f8i h SER 357 Ca -0.04 0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.16 1f8i h SER 357 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1f8i h SER 357 CO 0.07 0.22 -0.90 -0.03 -0.87 0.00 0.00 176.83 175.32 1f8i h MET 358 N 0.66 0.40 -0.21 4.77 1.85 -1.46 -2.14 114.93 118.80 1f8i h MET 358 Ca 0.52 -0.41 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1f8i h MET 358 Cb 0.79 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 1f8i h MET 358 CO -0.39 1.08 0.08 0.35 -0.40 0.00 0.00 176.91 177.63 1f8i h PHE 359 N 0.23 0.32 0.02 1.39 3.57 -0.40 0.31 116.94 122.39 1f8i h PHE 359 Ca -0.07 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1f8i h PHE 359 Cb 1.53 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1f8i h PHE 359 CO 0.06 0.37 -0.08 0.22 -2.23 0.00 0.00 178.31 176.64 1f8i h ASP 360 N 0.18 -0.23 0.10 0.41 3.58 -0.93 0.10 116.42 119.63 1f8i h ASP 360 Ca 0.07 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1f8i h ASP 360 Cb 0.19 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1f8i h ASP 360 CO -0.00 -0.12 -0.05 0.25 -2.88 0.00 0.00 179.24 176.44 1f8i h LEU 361 N -0.15 -0.11 -1.06 2.28 5.85 -1.32 -2.23 115.31 118.57 1f8i h LEU 361 Ca 0.03 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1f8i h LEU 361 Cb 0.18 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1f8i h LEU 361 CO -0.07 -0.04 0.63 0.00 -0.34 0.00 0.00 178.44 178.63 1f8i h ALA 362 N 0.72 1.41 0.34 1.25 0.00 -0.78 0.15 119.26 122.34 1f8i h ALA 362 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1f8i h ALA 362 Cb 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1f8i h ALA 362 CO 0.02 0.48 -0.16 -0.92 0.00 0.00 0.00 179.25 178.67 1f8i h TYR 363 N 1.18 -0.42 -0.83 0.00 3.20 -0.64 0.64 116.97 120.09 1f8i h TYR 363 Ca 0.40 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.30 1f8i h TYR 363 Cb 0.08 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1f8i h TYR 363 CO -0.00 -0.14 0.53 0.78 -1.64 0.00 0.00 178.16 177.69 1f8i h GLY 364 N -0.66 1.22 1.01 1.82 0.00 -1.14 -2.05 103.07 103.27 1f8i h GLY 364 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.90 1f8i h GLY 364 CO 0.08 0.32 0.58 -1.82 0.00 0.00 0.00 176.54 175.69 1f8i h TYR 365 N 1.01 1.09 -0.06 5.60 3.20 -0.56 0.72 116.97 127.97 1f8i h TYR 365 Ca 0.34 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 1f8i h TYR 365 Cb 0.05 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1f8i h TYR 365 CO -0.03 0.69 -0.13 0.00 -1.64 0.00 0.00 178.16 177.05 1f8i h ALA 366 N 1.32 1.67 0.00 1.82 0.00 -0.19 0.12 119.26 124.00 1f8i h ALA 366 Ca 0.32 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1f8i h ALA 366 Cb -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1f8i h ALA 366 CO -0.07 0.25 -1.12 1.96 0.00 0.00 0.00 179.25 180.27 1f8i h GLN 367 N 0.09 0.00 0.00 0.00 1.08 -0.63 -3.42 115.11 112.22 1f8i h GLN 367 Ca 0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1f8i h GLN 367 Cb 0.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1f8i h GLN 367 CO 0.02 0.94 -0.05 0.09 -0.95 0.00 0.00 178.83 178.88 1f8i n ASN 368 N -4.46 2.26 0.00 1.46 5.03 0.24 -5.09 115.26 114.70 1f8i n ASN 368 Ca -0.29 -3.13 0.00 0.00 0.87 0.00 0.00 54.58 52.03 1f8i n ASN 368 Cb 0.64 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1f8i n ASN 368 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f8i n GLN 369 N -1.39 0.00 -0.27 3.52 3.00 0.42 -2.05 117.38 120.62 1f8i n GLN 369 Ca 0.16 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.37 1f8i n GLN 369 Cb 0.65 0.00 0.54 0.00 0.00 0.00 0.00 30.24 31.43 1f8i n GLN 369 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1f8i h MET 370 N 0.00 0.33 -0.76 -1.09 2.86 -1.94 -1.92 114.93 112.41 1f8i h MET 370 Ca 0.00 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.73 1f8i h MET 370 Cb 0.00 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.51 1f8i h MET 370 CO 0.00 0.22 0.39 0.77 1.06 0.00 0.00 176.91 179.35 1f8i h SER 371 N 0.34 0.50 -0.66 1.22 0.02 -1.80 -0.83 113.55 112.34 1f8i h SER 371 Ca 0.51 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.51 1f8i h SER 371 Cb 1.39 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.88 1f8i h SER 371 CO -0.19 0.27 0.35 0.00 -1.14 0.00 0.00 176.83 176.12 1f8i h ALA 372 N 1.47 1.35 0.03 3.77 0.00 -1.49 -2.57 119.26 121.81 1f8i h ALA 372 Ca 0.38 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 1f8i h ALA 372 Cb 0.44 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f8i h ALA 372 CO -0.29 0.52 -1.00 -0.92 0.00 0.00 0.00 179.25 177.56 1f8i h TYR 373 N 0.95 0.95 -0.66 0.00 3.20 -1.35 -3.19 116.97 116.86 1f8i h TYR 373 Ca 0.24 -0.54 0.10 0.00 3.14 0.00 0.00 58.73 61.67 1f8i h TYR 373 Cb 0.05 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1f8i h TYR 373 CO 0.01 1.37 0.44 0.28 -1.64 0.00 0.00 178.16 178.62 1f8i h VAL 374 N 0.25 0.90 -0.80 1.81 2.07 -1.05 0.83 116.25 120.26 1f8i h VAL 374 Ca -0.13 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1f8i h VAL 374 Cb 1.67 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1f8i h VAL 374 CO 0.20 0.09 0.47 -0.33 0.02 0.00 0.00 177.57 178.01 1f8i h GLU 375 N 0.48 1.09 -0.22 1.57 5.08 -1.45 0.01 114.58 121.13 1f8i h GLU 375 Ca 0.30 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1f8i h GLU 375 Cb 0.55 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1f8i h GLU 375 CO -0.09 0.78 -0.07 1.25 -1.00 0.00 0.00 179.01 179.88 1f8i h LEU 376 N 1.09 0.44 -0.92 1.33 5.85 -0.92 -1.92 115.31 120.27 1f8i h LEU 376 Ca 0.28 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1f8i h LEU 376 Cb -0.02 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1f8i h LEU 376 CO -0.05 0.72 0.60 -0.61 -0.34 0.00 0.00 178.44 178.76 1f8i h GLN 377 N 0.16 1.17 -0.70 1.25 4.15 -0.94 -0.24 115.11 119.95 1f8i h GLN 377 Ca 0.05 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 1f8i h GLN 377 Cb 0.53 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1f8i h GLN 377 CO 0.02 0.77 0.19 0.93 -1.93 0.00 0.00 178.83 178.82 1f8i h GLU 378 N 1.20 1.10 -0.70 1.69 4.39 -0.91 -0.09 114.58 121.26 1f8i h GLU 378 Ca 0.35 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1f8i h GLU 378 Cb -0.07 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 1f8i h GLU 378 CO -0.10 0.96 0.26 0.00 -1.16 0.00 0.00 179.01 178.98 1f8i h ARG 379 N 1.03 1.05 -0.46 2.33 3.08 -0.56 -0.57 114.38 120.29 1f8i h ARG 379 Ca 0.22 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1f8i h ARG 379 Cb 0.34 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1f8i h ARG 379 CO -0.00 0.86 0.22 0.93 -1.07 0.00 0.00 179.97 180.91 1f8i h GLU 380 N 1.02 0.66 -0.51 0.04 5.08 -0.42 0.10 114.58 120.55 1f8i h GLU 380 Ca 0.23 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1f8i h GLU 380 Cb 0.22 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1f8i h GLU 380 CO -0.02 0.56 0.33 0.74 -1.00 0.00 0.00 179.01 179.62 1f8i h PHE 381 N 0.60 0.62 -0.76 4.33 0.04 -0.61 -2.52 116.94 118.63 1f8i h PHE 381 Ca 0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1f8i h PHE 381 Cb 0.12 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1f8i h PHE 381 CO -0.01 0.38 0.45 0.00 -0.60 0.00 0.00 178.31 178.53 1f8i h ALA 382 N 1.20 0.97 0.00 2.45 0.00 -0.63 -2.11 119.26 121.13 1f8i h ALA 382 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f8i h ALA 382 Cb -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1f8i h ALA 382 CO -0.05 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1f8i n ALA 383 N -2.34 1.30 0.28 0.00 0.00 0.32 -2.70 120.51 117.36 1f8i n ALA 383 Ca 0.07 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1f8i n ALA 383 Cb 0.07 -1.26 0.81 0.00 0.00 0.00 0.00 19.45 19.07 1f8i n ALA 383 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1f8i h GLU 384 N 0.00 0.00 0.00 0.00 5.08 -1.16 0.48 114.58 118.97 1f8i h GLU 384 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f8i h GLU 384 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1f8i h GLU 384 CO 0.00 0.05 0.00 -0.85 -1.00 0.00 0.00 179.01 177.21 1f8i n GLU 385 N -3.87 0.14 0.00 2.33 0.28 -1.10 -2.14 120.64 116.28 1f8i n GLU 385 Ca -0.03 0.23 0.11 0.00 -0.16 0.00 0.00 57.16 57.32 1f8i n GLU 385 Cb 0.14 -1.70 0.13 0.00 1.43 0.00 0.00 31.44 31.44 1f8i n GLU 385 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1f8i n ARG 386 N -1.95 0.51 0.00 3.44 1.74 0.13 -4.94 116.66 115.59 1f8i n ARG 386 Ca 0.05 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1f8i n ARG 386 Cb 0.31 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1f8i n ARG 386 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f8i n GLY 387 N 1.44 1.73 3.66 -0.13 0.00 -0.91 -5.03 105.19 105.95 1f8i n GLY 387 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1f8i n GLY 387 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f8i n TYR 388 N -0.06 2.01 -0.04 1.61 9.36 -1.06 -4.91 117.16 124.09 1f8i n TYR 388 Ca 0.00 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.77 1f8i n TYR 388 Cb 0.00 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.32 1f8i n TYR 388 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1f8i n THR 389 N 0.85 0.00 0.34 2.97 -2.24 -1.26 -4.28 114.28 110.66 1f8i n THR 389 Ca 0.08 -0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1f8i n THR 389 Cb 0.33 1.04 0.19 0.00 -2.10 0.00 0.00 70.33 69.79 1f8i n THR 389 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f8i n ALA 390 N -0.35 1.48 -0.35 6.98 0.00 -1.26 -2.63 120.51 124.38 1f8i n ALA 390 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1f8i n ALA 390 Cb 0.01 -1.13 0.18 0.00 0.00 0.00 0.00 19.45 18.51 1f8i n ALA 390 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f8i h THR 391 N 0.00 1.13 -2.36 0.00 2.02 -1.89 -2.72 112.91 109.08 1f8i h THR 391 Ca 0.00 -0.41 -0.77 0.00 0.77 0.00 0.00 66.41 66.01 1f8i h THR 391 Cb 0.10 -0.16 -0.21 0.00 -1.74 0.00 0.00 68.15 66.14 1f8i h THR 391 CO 0.00 0.22 1.26 0.29 0.37 0.00 0.00 175.52 177.66 1f8i n LYS 392 N -4.47 3.67 -0.13 6.66 5.02 -1.08 -4.86 118.16 122.97 1f8i n LYS 392 Ca 0.14 -4.01 0.22 0.00 -2.02 0.00 0.00 58.31 52.64 1f8i n LYS 392 Cb 0.14 -2.82 0.64 0.00 -0.02 0.00 0.00 35.03 32.98 1f8i n LYS 392 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 1f8i h HIS 393 N 6.34 0.18 0.72 2.13 2.07 -1.74 -2.55 115.15 122.30 1f8i h HIS 393 Ca 0.29 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.78 1f8i h HIS 393 Cb 0.76 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.69 1f8i h HIS 393 CO 1.06 0.06 -0.34 1.96 -3.07 0.00 0.00 177.93 177.59 1f8i h GLN 394 N 0.14 -0.93 -0.10 5.12 1.08 -1.89 -2.28 115.11 116.25 1f8i h GLN 394 Ca 0.37 0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.54 1f8i h GLN 394 Cb 1.25 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.88 1f8i h GLN 394 CO -0.05 -0.61 -0.34 0.07 -0.95 0.00 0.00 178.83 176.94 1f8i h ARG 395 N -1.01 0.20 -0.75 1.46 0.11 -1.92 -1.50 114.38 110.97 1f8i h ARG 395 Ca -0.10 -0.08 0.06 0.00 0.10 0.00 0.00 59.98 59.97 1f8i h ARG 395 Cb 0.75 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.77 1f8i h ARG 395 CO 0.16 0.52 0.49 1.49 0.10 0.00 0.00 179.97 182.74 1f8i h GLU 396 N 0.17 0.78 -0.61 0.08 4.57 -1.32 -1.19 114.58 117.06 1f8i h GLU 396 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1f8i h GLU 396 Cb 0.70 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1f8i h GLU 396 CO 0.05 0.51 0.00 1.55 -1.18 0.00 0.00 179.01 179.94 1f8i n VAL 397 N -4.48 1.01 -0.43 0.32 3.14 -0.87 -4.90 118.33 112.12 1f8i n VAL 397 Ca 0.11 -0.85 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 1f8i n VAL 397 Cb 0.22 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1f8i n VAL 397 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1f8i n GLY 398 N 1.32 0.77 0.37 7.55 0.00 -0.45 -4.97 105.19 109.77 1f8i n GLY 398 Ca 0.20 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1f8i n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f8i h ALA 399 N 0.00 1.47 0.00 4.61 0.00 -1.46 0.15 119.26 124.03 1f8i h ALA 399 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1f8i h ALA 399 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1f8i h ALA 399 CO 0.00 0.34 -0.59 0.78 0.00 0.00 0.00 179.25 179.78 1f8i h GLY 400 N 1.08 0.00 0.84 0.00 0.00 -1.83 -2.24 103.07 100.93 1f8i h GLY 400 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 1f8i h GLY 400 CO -0.20 0.00 -0.18 -1.82 0.00 0.00 0.00 176.54 174.34 1f8i h TYR 401 N 0.00 0.60 0.00 5.60 3.20 -1.37 -2.47 116.97 122.53 1f8i h TYR 401 Ca -0.01 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 1f8i h TYR 401 Cb 1.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1f8i h TYR 401 CO 0.00 0.83 -0.24 0.74 -1.64 0.00 0.00 178.16 177.85 1f8i h PHE 402 N 0.20 0.00 -0.40 -3.82 -1.00 -1.16 -2.15 116.94 108.61 1f8i h PHE 402 Ca 0.04 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.72 1f8i h PHE 402 Cb 0.71 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.26 1f8i h PHE 402 CO 0.07 0.24 -0.16 -0.44 -1.61 0.00 0.00 178.31 176.42 1f8i h ASP 403 N 0.00 0.75 -0.29 2.17 3.32 -1.30 0.57 116.42 121.63 1f8i h ASP 403 Ca -0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1f8i h ASP 403 Cb 0.83 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1f8i h ASP 403 CO 0.03 0.91 0.12 -0.09 -1.72 0.00 0.00 179.24 178.49 1f8i h ARG 404 N 0.67 0.44 -0.12 3.56 9.65 -0.92 -0.07 114.38 127.59 1f8i h ARG 404 Ca 0.11 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1f8i h ARG 404 Cb 0.64 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1f8i h ARG 404 CO 0.04 0.45 0.06 0.82 2.80 0.00 0.00 179.97 184.15 1f8i h ILE 405 N 0.33 1.01 -0.31 1.20 2.04 -1.04 -0.93 117.51 119.81 1f8i h ILE 405 Ca 0.10 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1f8i h ILE 405 Cb 0.17 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1f8i h ILE 405 CO -0.01 0.02 0.12 0.00 0.00 0.00 0.00 178.15 178.29 1f8i h ALA 406 N 1.05 0.36 0.00 1.87 0.00 -0.64 -0.82 119.26 121.08 1f8i h ALA 406 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f8i h ALA 406 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1f8i h ALA 406 CO -0.02 -0.27 0.00 1.79 0.00 0.00 0.00 179.25 180.74 1f8i h THR 407 N 0.27 0.00 0.10 0.00 1.35 -0.85 0.68 112.91 114.46 1f8i h THR 407 Ca 0.13 -0.40 -0.29 0.00 -0.55 0.00 0.00 66.41 65.30 1f8i h THR 407 Cb 0.08 1.32 0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1f8i h THR 407 CO -0.12 0.00 -1.21 0.74 -0.25 0.00 0.00 175.52 174.68 1f8i h THR 408 N 0.00 1.31 -0.08 6.82 2.02 -0.09 -1.40 112.91 121.50 1f8i h THR 408 Ca 0.00 -2.49 -0.18 0.00 0.77 0.00 0.00 66.41 64.52 1f8i h THR 408 Cb 0.44 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1f8i h THR 408 CO 0.00 0.75 -0.71 0.58 0.37 0.00 0.00 175.52 176.52 1f8i h VAL 409 N 0.27 1.39 -1.26 3.16 2.07 -0.69 -3.42 116.25 117.77 1f8i h VAL 409 Ca -0.17 -2.13 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 1f8i h VAL 409 Cb 1.88 2.10 -0.23 0.00 -1.52 0.00 0.00 31.29 33.51 1f8i h VAL 409 CO 0.23 0.64 -0.46 -0.62 0.02 0.00 0.00 177.57 177.38 1f8i s ASP 410 N -6.95 -0.87 0.63 0.57 2.15 0.19 -5.02 116.67 107.36 1f8i s ASP 410 Ca -0.05 -0.28 0.38 0.00 0.43 0.00 0.00 52.55 53.03 1f8i s ASP 410 Cb 0.11 1.67 2.14 0.00 -0.30 0.00 0.00 42.92 46.53 1f8i s ASP 410 CO 0.83 -0.29 2.31 1.55 -0.17 0.00 0.00 175.17 179.40 1f8i h PRO 411 N 7.79 0.00 -0.56 4.34 0.13 -1.46 -1.97 132.00 140.27 1f8i h PRO 411 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1f8i h PRO 411 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1f8i h PRO 411 CO 0.18 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.04 1f8i n ASN 412 N -3.40 3.09 -4.69 1.44 3.02 -1.26 -4.94 115.26 108.52 1f8i n ASN 412 Ca -0.03 -2.12 -0.44 0.00 -0.03 0.00 0.00 54.58 51.96 1f8i n ASN 412 Cb 0.09 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1f8i n ASN 412 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1f8i n SER 413 N 0.92 3.72 -1.60 6.41 2.88 -0.74 -4.88 113.62 120.34 1f8i n SER 413 Ca 0.18 1.01 -0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1f8i n SER 413 Cb 0.53 -1.49 0.26 0.00 -0.75 0.00 0.00 64.21 62.75 1f8i n SER 413 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f8i n SER 414 N 5.11 4.23 -1.97 -3.46 3.41 -1.26 -4.32 113.62 115.36 1f8i n SER 414 Ca 0.18 -2.79 -0.08 0.00 -0.26 0.00 0.00 58.87 55.93 1f8i n SER 414 Cb 0.34 -0.66 0.06 0.00 -0.26 0.00 0.00 64.21 63.69 1f8i n SER 414 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f8i n THR 415 N 0.19 1.75 -1.83 6.66 -2.24 -1.26 -5.08 114.28 112.46 1f8i n THR 415 Ca 0.25 -3.23 -0.32 0.00 -2.27 0.00 0.00 64.05 58.49 1f8i n THR 415 Cb 1.03 0.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1f8i n THR 415 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1f8i s THR 416 N -3.52 3.97 -0.19 4.28 -4.23 -1.26 -5.04 115.64 109.65 1f8i s THR 416 Ca 0.39 0.78 -0.17 0.00 -1.18 0.00 0.00 61.69 61.52 1f8i s THR 416 Cb 0.37 -3.41 -0.13 0.00 1.34 0.00 0.00 72.50 70.67 1f8i s THR 416 CO -0.03 -0.69 0.03 0.00 -0.54 0.00 0.00 174.62 173.39 1f8i n ALA 417 N -2.54 0.68 0.14 3.99 0.00 -1.26 -4.55 120.51 116.96 1f8i n ALA 417 Ca 0.08 -0.49 0.05 0.00 0.00 0.00 0.00 53.44 53.07 1f8i n ALA 417 Cb 0.53 -0.31 0.49 0.00 0.00 0.00 0.00 19.45 20.16 1f8i n ALA 417 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1f8i h LEU 418 N -1.00 0.21 -9.01 0.00 3.38 -1.96 -3.36 115.31 103.56 1f8i h LEU 418 Ca -0.23 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.15 1f8i h LEU 418 Cb 1.02 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1f8i h LEU 418 CO -0.14 0.24 1.03 -0.89 0.09 0.00 0.00 178.44 178.76 1f8i s THR 419 N -5.05 3.97 0.00 0.22 2.01 -1.26 -2.10 115.64 113.43 1f8i s THR 419 Ca -0.06 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1f8i s THR 419 Cb 0.17 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1f8i s THR 419 CO 0.71 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1f8i n GLY 420 N 4.38 0.68 3.84 4.40 0.00 -1.26 -4.96 105.19 112.28 1f8i n GLY 420 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1f8i n GLY 420 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f8i s SER 421 N -2.72 6.60 0.44 1.61 1.04 -0.89 -4.96 113.70 114.81 1f8i s SER 421 Ca 0.00 1.56 0.24 0.00 0.48 0.00 0.00 55.95 58.22 1f8i s SER 421 Cb 0.00 -2.51 0.92 0.00 0.10 0.00 0.00 66.02 64.54 1f8i s SER 421 CO 0.00 -0.61 1.83 0.71 0.98 0.00 0.00 173.24 176.15 1f8i h THR 422 N 0.83 0.60 -0.55 2.02 1.35 -1.94 -2.70 112.91 112.52 1f8i h THR 422 Ca -0.47 -1.13 -0.06 0.00 -0.55 0.00 0.00 66.41 64.20 1f8i h THR 422 Cb 1.18 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 1f8i h THR 422 CO 0.61 0.23 0.11 -0.08 -0.25 0.00 0.00 175.52 176.15 1f8i h GLU 423 N 0.00 0.89 -0.44 4.72 4.81 -1.92 0.18 114.58 122.81 1f8i h GLU 423 Ca -0.00 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1f8i h GLU 423 Cb 0.74 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1f8i h GLU 423 CO 0.03 0.85 -0.01 1.49 -0.73 0.00 0.00 179.01 180.64 1f8i h GLU 424 N 0.79 0.72 -0.44 1.92 4.81 -1.75 -1.81 114.58 118.82 1f8i h GLU 424 Ca 0.17 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1f8i h GLU 424 Cb 0.38 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1f8i h GLU 424 CO 0.01 0.74 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 1f8i n GLY 425 N -0.68 1.98 0.00 1.92 0.00 -1.05 -4.49 105.19 102.87 1f8i n GLY 425 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1f8i n GLY 425 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f8i n GLN 426 N 1.24 1.31 0.00 1.61 6.02 0.59 -5.05 117.38 123.10 1f8i n GLN 426 Ca 0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1f8i n GLN 426 Cb 0.54 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.48 1f8i n GLN 426 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24