#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 -0.27 0.00 0.00 0.15 -1.26 -5.04 113.70 107.28 1f8i s SER 2 Ca 0.00 0.05 0.23 0.00 0.70 0.00 0.00 55.95 56.93 1f8i s SER 2 Cb 0.00 0.40 0.20 0.00 -1.71 0.00 0.00 66.02 64.90 1f8i s SER 2 CO 0.00 -0.60 1.20 1.33 1.20 0.00 0.00 173.24 176.38 1f8i n VAL 3 N 0.74 0.00 -1.81 4.45 0.24 -1.26 -4.85 118.33 115.84 1f8i n VAL 3 Ca -0.19 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 1f8i n VAL 3 Cb 0.59 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.70 2.73 -0.01 3.34 1.01 -1.26 -2.07 120.40 121.44 1f8i s VAL 4 Ca 0.16 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1f8i s VAL 4 Cb 0.18 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1f8i s VAL 4 CO 0.66 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1f8i n GLY 5 N 4.12 0.45 3.70 4.51 0.00 -1.26 -4.86 105.19 111.85 1f8i n GLY 5 Ca 0.17 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1f8i n GLY 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f8i n THR 6 N -2.89 0.04 -1.79 2.61 -1.04 -0.88 -0.05 114.28 110.28 1f8i n THR 6 Ca -0.00 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1f8i n THR 6 Cb 0.06 -1.85 0.06 0.00 -1.82 0.00 0.00 70.33 66.77 1f8i n THR 6 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1f8i s PRO 7 N 1.25 2.74 0.66 -2.82 0.02 -1.26 -4.82 135.00 130.77 1f8i s PRO 7 Ca 0.77 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 1f8i s PRO 7 Cb -0.56 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 31.99 1f8i s PRO 7 CO 0.35 -1.46 1.05 0.15 -0.33 0.00 0.00 177.00 176.76 1f8i s LYS 8 N -3.26 3.20 0.67 5.54 1.02 -1.26 -5.04 119.74 120.61 1f8i s LYS 8 Ca 0.79 0.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.59 1f8i s LYS 8 Cb -0.37 -2.03 -0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1f8i s LYS 8 CO 0.41 -0.89 1.07 -1.54 -0.92 0.00 0.00 175.35 173.47 1f8i s SER 9 N -3.78 5.69 0.33 2.83 1.04 -1.26 -4.93 113.70 113.62 1f8i s SER 9 Ca 0.58 1.20 0.02 0.00 0.48 0.00 0.00 55.95 58.23 1f8i s SER 9 Cb -0.13 -2.08 0.58 0.00 0.10 0.00 0.00 66.02 64.49 1f8i s SER 9 CO 0.52 -1.18 1.94 0.00 0.98 0.00 0.00 173.24 175.50 1f8i h ALA 10 N -0.53 1.44 -0.15 5.32 0.00 -1.96 -2.47 119.26 120.91 1f8i h ALA 10 Ca -0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1f8i h ALA 10 Cb 1.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1f8i h ALA 10 CO 0.63 0.45 0.08 0.93 0.00 0.00 0.00 179.25 181.33 1f8i h GLU 11 N 0.76 0.21 -0.67 0.00 3.07 -1.95 0.02 114.58 116.02 1f8i h GLU 11 Ca 0.19 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1f8i h GLU 11 Cb 0.08 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 1f8i h GLU 11 CO -0.03 0.24 0.40 1.96 -1.40 0.00 0.00 179.01 180.18 1f8i h GLN 12 N 0.12 0.74 -0.01 2.33 4.20 -1.86 -0.20 115.11 120.43 1f8i h GLN 12 Ca 0.05 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1f8i h GLN 12 Cb 0.10 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1f8i h GLN 12 CO -0.01 0.49 0.00 0.82 -0.67 0.00 0.00 178.83 179.47 1f8i h ILE 13 N 0.76 1.13 -0.86 2.54 2.04 -1.23 -1.99 117.51 119.89 1f8i h ILE 13 Ca 0.28 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1f8i h ILE 13 Cb 0.09 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1f8i h ILE 13 CO -0.14 0.10 0.52 -0.61 0.00 0.00 0.00 178.15 178.02 1f8i h GLN 14 N -0.14 0.87 -0.71 2.37 5.75 -0.65 -1.30 115.11 121.30 1f8i h GLN 14 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1f8i h GLN 14 Cb 0.16 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1f8i h GLN 14 CO -0.00 0.58 0.45 0.37 -2.65 0.00 0.00 178.83 177.57 1f8i h GLN 15 N 0.90 0.95 -0.65 1.69 4.15 -0.81 -0.56 115.11 120.78 1f8i h GLN 15 Ca 0.39 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 1f8i h GLN 15 Cb 0.28 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1f8i h GLN 15 CO -0.21 0.66 0.38 0.93 -1.93 0.00 0.00 178.83 178.65 1f8i h GLU 16 N 0.97 0.89 0.00 1.69 5.08 -0.53 0.64 114.58 123.31 1f8i h GLU 16 Ca 0.26 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1f8i h GLU 16 Cb -0.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1f8i h GLU 16 CO -0.05 0.65 -0.22 -1.49 -1.00 0.00 0.00 179.01 176.89 1f8i h TRP 17 N 0.88 0.00 0.00 4.33 6.55 -0.68 0.36 115.95 127.39 1f8i h TRP 17 Ca 0.23 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.81 1f8i h TRP 17 Cb -0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.26 1f8i h TRP 17 CO -0.01 0.22 -1.53 -0.44 -1.05 0.00 0.00 178.44 175.63 1f8i h ASP 18 N 0.00 0.00 0.00 -3.49 3.32 -0.40 -3.42 116.42 112.43 1f8i h ASP 18 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1f8i h ASP 18 Cb 0.44 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1f8i h ASP 18 CO 0.03 0.94 -1.74 0.35 -1.72 0.00 0.00 179.24 177.10 1f8i n THR 19 N -3.08 0.54 -2.49 0.35 -2.24 0.15 -4.97 114.28 102.54 1f8i n THR 19 Ca -0.13 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1f8i n THR 19 Cb 1.00 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 -4.13 7.10 0.64 3.42 3.84 0.10 -4.90 114.94 121.01 1f8i s ASN 20 Ca -0.05 1.81 0.38 0.00 0.21 0.00 0.00 52.86 55.21 1f8i s ASN 20 Cb 0.05 -2.56 2.17 0.00 -0.55 0.00 0.00 41.25 40.36 1f8i s ASN 20 CO 0.50 -0.53 2.32 -0.65 -2.79 0.00 0.00 177.10 175.95 1f8i h PRO 21 N 7.27 0.00 -0.98 0.43 0.11 -1.93 -2.24 132.00 134.65 1f8i h PRO 21 Ca -0.36 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.86 1f8i h PRO 21 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1f8i h PRO 21 CO 0.86 0.00 0.61 -0.09 -0.21 0.00 0.00 178.00 179.17 1f8i h ARG 22 N 0.00 0.97 -0.59 1.05 9.65 -1.93 -1.02 114.38 122.51 1f8i h ARG 22 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1f8i h ARG 22 Cb 0.01 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1f8i h ARG 22 CO -0.00 0.64 0.00 0.91 2.80 0.00 0.00 179.97 184.32 1f8i n TRP 23 N -4.62 0.97 -0.24 2.20 5.03 -0.84 -4.60 117.44 115.34 1f8i n TRP 23 Ca 0.18 -0.41 -0.00 0.00 3.03 0.00 0.00 57.50 60.30 1f8i n TRP 23 Cb 0.32 -0.13 0.07 0.00 -1.03 0.00 0.00 31.31 30.54 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 3.05 -0.02 -0.35 -0.99 3.64 -1.26 -2.25 116.57 118.38 1f8i h LYS 24 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1f8i h LYS 24 Cb 0.99 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 1f8i h LYS 24 CO 0.11 -0.02 0.02 -0.25 -2.27 0.00 0.00 179.45 177.05 1f8i n ASP 25 N -5.47 3.64 -4.61 4.20 8.00 -1.26 -4.98 116.55 116.07 1f8i n ASP 25 Ca 0.09 -3.25 -0.38 0.00 0.71 0.00 0.00 54.79 51.95 1f8i n ASP 25 Cb 0.36 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.97 5.28 -0.17 2.53 1.01 -0.85 -4.73 120.40 120.49 1f8i s VAL 26 Ca 0.45 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 1f8i s VAL 26 Cb 0.37 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1f8i s VAL 26 CO 0.07 0.24 0.23 -0.89 0.00 0.00 0.00 175.10 174.74 1f8i s THR 27 N 1.73 5.35 -0.20 3.92 2.01 -0.41 -5.03 115.64 123.01 1f8i s THR 27 Ca 0.10 0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1f8i s THR 27 Cb -0.16 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.83 1f8i s THR 27 CO 0.10 0.41 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.18 1f8i s ARG 28 N 0.39 2.29 0.00 4.92 0.52 -1.26 -4.71 118.95 121.09 1f8i s ARG 28 Ca 0.13 -0.91 0.24 0.00 -0.52 0.00 0.00 55.73 54.67 1f8i s ARG 28 Cb -0.12 -2.51 1.38 0.00 0.52 0.00 0.00 34.95 34.22 1f8i s ARG 28 CO 0.02 -0.39 1.89 0.25 0.02 0.00 0.00 175.30 177.08 1f8i n THR 29 N 4.63 0.01 -4.52 0.02 -2.24 -1.26 -4.80 114.28 106.11 1f8i n THR 29 Ca -0.16 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.33 1f8i n THR 29 Cb 0.47 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.99 2.47 0.46 4.78 -0.85 -1.26 -5.16 117.35 115.80 1f8i s TYR 30 Ca 0.35 -0.68 0.08 0.00 -0.52 0.00 0.00 57.07 56.30 1f8i s TYR 30 Cb 0.16 -1.80 0.02 0.00 0.38 0.00 0.00 41.96 40.72 1f8i s TYR 30 CO 0.27 0.36 0.53 -1.54 -1.52 0.00 0.00 175.55 173.66 1f8i s SER 31 N -3.77 5.22 0.31 -0.18 1.04 -1.26 -5.01 113.70 110.04 1f8i s SER 31 Ca 0.34 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 56.10 1f8i s SER 31 Cb 0.08 -0.31 0.50 0.00 0.10 0.00 0.00 66.02 66.38 1f8i s SER 31 CO 0.18 -0.88 1.76 0.00 0.98 0.00 0.00 173.24 175.27 1f8i h ALA 32 N 0.69 1.19 -0.75 5.32 0.00 -1.98 -2.42 119.26 121.32 1f8i h ALA 32 Ca -0.38 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1f8i h ALA 32 Cb 1.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1f8i h ALA 32 CO 0.50 0.53 0.34 0.93 0.00 0.00 0.00 179.25 181.54 1f8i h GLU 33 N 0.33 1.08 -0.67 0.00 3.07 -1.95 -1.17 114.58 115.26 1f8i h GLU 33 Ca 0.05 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 1f8i h GLU 33 Cb 0.64 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1f8i h GLU 33 CO 0.05 0.85 0.26 -0.44 -1.40 0.00 0.00 179.01 178.33 1f8i h ASP 34 N 1.07 0.91 0.32 1.42 3.32 -1.83 -1.04 116.42 120.59 1f8i h ASP 34 Ca 0.26 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1f8i h ASP 34 Cb 0.14 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1f8i h ASP 34 CO -0.03 0.81 -0.15 0.58 -1.72 0.00 0.00 179.24 178.73 1f8i h VAL 35 N 0.97 0.69 -1.00 -1.35 2.07 -1.18 -3.02 116.25 113.43 1f8i h VAL 35 Ca 0.23 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 67.43 1f8i h VAL 35 Cb 0.19 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 1f8i h VAL 35 CO -0.02 0.09 0.62 0.58 0.02 0.00 0.00 177.57 178.86 1f8i h VAL 36 N -0.69 0.84 0.00 2.57 2.07 -1.10 -0.17 116.25 119.76 1f8i h VAL 36 Ca -0.04 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1f8i h VAL 36 Cb 0.48 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1f8i h VAL 36 CO 0.07 0.16 -0.00 0.00 0.02 0.00 0.00 177.57 177.82 1f8i h ALA 37 N 1.58 1.07 -0.01 1.67 0.00 -1.06 -2.24 119.26 120.26 1f8i h ALA 37 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1f8i h ALA 37 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f8i h ALA 37 CO -0.31 0.00 -0.50 1.28 0.00 0.00 0.00 179.25 179.72 1f8i n LEU 38 N -3.19 1.86 -0.29 0.00 4.77 -0.09 -4.49 117.00 115.58 1f8i n LEU 38 Ca -0.03 -0.74 0.13 0.00 -0.03 0.00 0.00 56.01 55.35 1f8i n LEU 38 Cb 0.09 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.81 1f8i n LEU 38 CO 0.21 0.35 0.93 0.00 -1.33 0.00 0.00 177.39 177.55 1f8i n GLN 39 N -0.18 1.39 0.00 3.23 6.02 -0.84 -5.03 117.38 121.97 1f8i n GLN 39 Ca 0.08 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 1f8i n GLN 39 Cb 0.43 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 1.07 1.45 0.31 1.08 0.00 -1.26 -3.48 105.19 104.35 1f8i n GLY 40 Ca 0.19 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.50 2.30 -3.71 1.61 3.41 -1.26 -4.90 113.62 109.57 1f8i n SER 41 Ca 0.00 -1.87 -0.13 0.00 -0.26 0.00 0.00 58.87 56.61 1f8i n SER 41 Cb 0.00 -0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 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 -0.91 -0.15 -0.23 -3.33 1.01 -1.23 -4.35 120.40 111.23 1f8i s VAL 42 Ca 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1f8i s VAL 42 Cb 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 1f8i s VAL 42 CO 0.08 0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 174.52 1f8i s VAL 43 N 1.61 3.26 0.38 2.92 1.01 0.93 -4.96 120.40 125.55 1f8i s VAL 43 Ca -0.06 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 1f8i s VAL 43 Cb -0.11 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 1f8i s VAL 43 CO -0.08 0.39 1.15 -1.61 0.00 0.00 0.00 175.10 174.95 1f8i s GLU 44 N 1.45 4.15 0.04 2.72 2.02 -1.26 -4.59 118.70 123.22 1f8i s GLU 44 Ca 0.05 1.80 -0.20 0.00 0.02 0.00 0.00 54.97 56.64 1f8i s GLU 44 Cb -0.15 -2.73 -0.06 0.00 0.10 0.00 0.00 34.13 31.30 1f8i s GLU 44 CO -0.04 -0.23 0.60 -2.00 0.02 0.00 0.00 175.26 173.61 1f8i s GLU 45 N -2.21 4.29 -0.68 1.61 2.56 -1.26 -4.93 118.70 118.08 1f8i s GLU 45 Ca 0.55 0.77 0.05 0.00 0.00 0.00 0.00 54.97 56.35 1f8i s GLU 45 Cb -0.30 -3.30 0.21 0.00 2.00 0.00 0.00 34.13 32.75 1f8i s GLU 45 CO 0.38 0.48 0.65 0.72 -0.56 0.00 0.00 175.26 176.92 1f8i n HIS 46 N 2.29 3.49 -0.28 5.30 8.25 -1.26 -4.98 115.22 128.02 1f8i n HIS 46 Ca -0.08 -4.22 -0.12 0.00 -0.26 0.00 0.00 57.72 53.05 1f8i n HIS 46 Cb 0.51 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.92 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 3.72 0.00 -0.89 1.59 2.02 -1.94 -0.83 112.91 116.58 1f8i h THR 47 Ca 0.18 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1f8i h THR 47 Cb 0.70 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1f8i h THR 47 CO 0.79 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 177.18 1f8i h LEU 48 N -0.17 1.03 -0.96 2.58 3.38 -1.93 -0.86 115.31 118.38 1f8i h LEU 48 Ca 0.11 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1f8i h LEU 48 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1f8i h LEU 48 CO -0.74 0.76 0.08 0.00 0.09 0.00 0.00 178.44 178.63 1f8i h ALA 49 N 1.31 1.15 0.34 1.53 0.00 -1.57 0.18 119.26 122.21 1f8i h ALA 49 Ca 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1f8i h ALA 49 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1f8i h ALA 49 CO -0.07 0.56 -0.16 -0.09 0.00 0.00 0.00 179.25 179.49 1f8i h ARG 50 N 0.79 -0.44 -0.23 0.00 2.43 -0.70 -1.81 114.38 114.42 1f8i h ARG 50 Ca 0.17 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1f8i h ARG 50 Cb 0.36 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1f8i h ARG 50 CO 0.01 -0.12 0.01 -0.09 -1.51 0.00 0.00 179.97 178.26 1f8i h ARG 51 N -0.92 0.08 -0.68 0.20 2.43 -1.16 -0.92 114.38 113.41 1f8i h ARG 51 Ca -0.05 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1f8i h ARG 51 Cb 0.53 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 1f8i h ARG 51 CO 0.08 0.05 0.39 0.78 -1.51 0.00 0.00 179.97 179.76 1f8i h GLY 52 N 0.08 1.01 1.11 2.80 0.00 -0.69 0.46 103.07 107.85 1f8i h GLY 52 Ca 0.11 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 1f8i h GLY 52 CO -0.18 0.17 -0.18 0.00 0.00 0.00 0.00 176.54 176.35 1f8i h ALA 53 N 1.35 0.71 -0.13 3.60 0.00 -0.93 -0.98 119.26 122.88 1f8i h ALA 53 Ca 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1f8i h ALA 53 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1f8i h ALA 53 CO -0.18 0.68 0.04 0.93 0.00 0.00 0.00 179.25 180.72 1f8i h GLU 54 N 0.89 0.20 -0.20 0.00 5.08 -0.74 -1.27 114.58 118.54 1f8i h GLU 54 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1f8i h GLU 54 Cb 0.76 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1f8i h GLU 54 CO 0.06 0.34 0.13 0.28 -1.00 0.00 0.00 179.01 178.82 1f8i h VAL 55 N 0.03 1.04 -0.47 3.13 2.07 -0.85 -1.37 116.25 119.84 1f8i h VAL 55 Ca 0.04 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1f8i h VAL 55 Cb 0.22 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1f8i h VAL 55 CO -0.00 0.05 0.24 0.25 0.02 0.00 0.00 177.57 178.13 1f8i h LEU 56 N 0.27 0.34 -0.39 2.57 5.85 -1.11 0.81 115.31 123.65 1f8i h LEU 56 Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1f8i h LEU 56 Cb -0.02 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1f8i h LEU 56 CO -0.02 0.24 0.26 -0.25 -0.34 0.00 0.00 178.44 178.33 1f8i h TRP 57 N 0.47 0.50 -0.26 1.25 2.91 -0.97 -1.16 115.95 118.70 1f8i h TRP 57 Ca 0.20 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.23 1f8i h TRP 57 Cb 0.11 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1f8i h TRP 57 CO -0.10 0.32 0.12 0.93 -1.03 0.00 0.00 178.44 178.68 1f8i h GLU 58 N 0.53 0.38 -0.81 2.65 5.08 -0.80 -2.80 114.58 118.81 1f8i h GLU 58 Ca 0.14 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1f8i h GLU 58 Cb -0.06 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1f8i h GLU 58 CO -0.03 0.37 0.53 1.96 -1.00 0.00 0.00 179.01 180.85 1f8i h GLN 59 N 0.29 0.98 0.00 2.33 4.20 -0.61 0.16 115.11 122.46 1f8i h GLN 59 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1f8i h GLN 59 Cb 0.12 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1f8i h GLN 59 CO -0.01 0.65 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.67 1f8i h LEU 60 N 1.01 0.00 0.00 1.46 3.38 -0.95 -0.94 115.31 119.28 1f8i h LEU 60 Ca 0.32 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.92 1f8i h LEU 60 Cb 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1f8i h LEU 60 CO -0.09 0.06 -2.37 1.41 0.09 0.00 0.00 178.44 177.54 1f8i n HIS 61 N -3.46 0.09 0.06 1.13 8.25 -0.36 -4.59 115.22 116.35 1f8i n HIS 61 Ca -0.02 0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1f8i n HIS 61 Cb 0.18 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.23 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 0.00 0.00 -2.62 0.41 3.32 -0.61 -3.47 116.42 113.45 1f8i h ASP 62 Ca -0.54 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 55.99 1f8i h ASP 62 Cb 2.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.66 1f8i h ASP 62 CO -0.00 0.56 -0.39 -0.76 -1.72 0.00 0.00 179.24 176.93 1f8i s LEU 63 N -5.98 4.27 0.30 1.55 1.43 -0.37 -4.98 118.68 114.91 1f8i s LEU 63 Ca -0.01 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1f8i s LEU 63 Cb 0.08 -3.03 0.54 0.00 0.03 0.00 0.00 46.19 43.82 1f8i s LEU 63 CO 0.79 -0.03 1.91 -0.08 0.23 0.00 0.00 176.35 179.18 1f8i h GLU 64 N 1.83 0.98 -1.44 1.70 4.81 -1.91 -3.45 114.58 117.10 1f8i h GLU 64 Ca -0.49 -0.06 0.21 0.00 -0.13 0.00 0.00 59.36 58.89 1f8i h GLU 64 Cb 1.20 -0.22 -0.21 0.00 0.63 0.00 0.00 28.75 30.14 1f8i h GLU 64 CO 0.67 0.65 0.78 1.67 -0.73 0.00 0.00 179.01 182.05 1f8i s TRP 65 N -5.89 -0.16 -0.23 0.92 -2.14 -1.26 -4.86 118.94 105.31 1f8i s TRP 65 Ca -0.11 0.18 -0.05 0.00 2.66 0.00 0.00 56.10 58.78 1f8i s TRP 65 Cb 0.20 0.50 -0.02 0.00 -3.10 0.00 0.00 33.47 31.05 1f8i s TRP 65 CO 0.80 -0.21 -0.00 0.08 -2.66 0.00 0.00 176.95 174.96 1f8i s VAL 66 N -1.88 3.76 0.33 -0.66 1.01 0.67 -5.01 120.40 118.62 1f8i s VAL 66 Ca 0.07 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1f8i s VAL 66 Cb -0.01 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1f8i s VAL 66 CO -0.04 0.40 -0.07 0.54 0.00 0.00 0.00 175.10 175.92 1f8i s ASN 67 N 1.45 3.89 0.25 3.32 2.20 -1.26 -0.94 114.94 123.85 1f8i s ASN 67 Ca 0.05 -1.08 -0.22 0.00 -0.94 0.00 0.00 52.86 50.67 1f8i s ASN 67 Cb -0.15 -0.42 0.03 0.00 -2.00 0.00 0.00 41.25 38.72 1f8i s ASN 67 CO -0.00 -0.17 0.80 0.00 -2.94 0.00 0.00 177.10 174.79 1f8i s ALA 68 N -2.55 -1.32 0.10 3.54 0.00 -0.10 -4.24 121.76 117.19 1f8i s ALA 68 Ca 0.33 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.15 1f8i s ALA 68 Cb 0.00 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1f8i s ALA 68 CO 0.17 -1.04 -0.21 -0.51 0.00 0.00 0.00 175.76 174.18 1f8i s LEU 69 N -2.94 2.30 0.16 0.00 1.43 -1.26 -1.99 118.68 116.37 1f8i s LEU 69 Ca 0.12 -0.68 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 1f8i s LEU 69 Cb -0.05 -0.88 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 1f8i s LEU 69 CO 0.06 0.06 1.43 -0.83 0.23 0.00 0.00 176.35 177.30 1f8i s GLY 70 N -1.88 2.00 -0.09 -3.19 0.00 -0.63 -2.76 107.32 100.77 1f8i s GLY 70 Ca 0.06 1.21 0.04 0.00 0.00 0.00 0.00 44.72 46.03 1f8i s GLY 70 CO 0.04 2.36 -0.23 0.00 0.00 0.00 0.00 173.10 175.28 1f8i s ALA 71 N 0.78 2.06 -0.55 3.20 0.00 0.07 -2.03 121.76 125.29 1f8i s ALA 71 Ca 0.64 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1f8i s ALA 71 Cb -0.39 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1f8i s ALA 71 CO 0.34 0.28 0.44 1.47 0.00 0.00 0.00 175.76 178.29 1f8i n LEU 72 N 3.52 0.71 -4.15 0.00 -0.00 -1.26 -4.47 117.00 111.35 1f8i n LEU 72 Ca -0.19 -0.63 -0.10 0.00 -0.00 0.00 0.00 56.01 55.09 1f8i n LEU 72 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1f8i n LEU 72 CO 0.28 0.15 -0.38 0.42 -0.00 0.00 0.00 177.39 177.86 1f8i s THR 73 N -1.48 0.59 0.11 1.47 -4.23 -1.26 -4.89 115.64 105.95 1f8i s THR 73 Ca 0.05 -1.88 -0.27 0.00 -1.18 0.00 0.00 61.69 58.40 1f8i s THR 73 Cb 0.06 -1.61 -0.10 0.00 1.34 0.00 0.00 72.50 72.19 1f8i s THR 73 CO 0.26 -0.89 1.64 1.23 -0.54 0.00 0.00 174.62 176.33 1f8i h GLY 74 N 3.05 -0.50 0.48 3.99 0.00 -1.93 -2.47 103.07 105.69 1f8i h GLY 74 Ca -0.35 0.30 0.18 0.00 0.00 0.00 0.00 47.33 47.45 1f8i h GLY 74 CO 0.64 -0.22 0.56 3.43 0.00 0.00 0.00 176.54 180.95 1f8i h ASN 75 N -0.49 0.42 0.12 0.19 4.21 -1.95 -1.50 115.58 116.59 1f8i h ASN 75 Ca 0.02 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 1f8i h ASN 75 Cb 0.49 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1f8i h ASN 75 CO -0.12 0.20 -0.08 0.24 -1.29 0.00 0.00 177.43 176.37 1f8i h MET 76 N 0.44 -0.20 -0.85 0.81 2.86 -1.86 -0.83 114.93 115.30 1f8i h MET 76 Ca 0.43 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.10 1f8i h MET 76 Cb 1.00 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1f8i h MET 76 CO -0.16 -0.13 0.56 0.00 1.06 0.00 0.00 176.91 178.24 1f8i h ALA 77 N 0.67 1.41 -0.34 6.32 0.00 -1.18 -0.64 119.26 125.50 1f8i h ALA 77 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1f8i h ALA 77 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1f8i h ALA 77 CO -0.00 0.54 0.22 0.28 0.00 0.00 0.00 179.25 180.29 1f8i h VAL 78 N 1.13 1.09 -0.52 0.00 2.07 -0.89 -1.52 116.25 117.61 1f8i h VAL 78 Ca 0.32 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 1f8i h VAL 78 Cb -0.10 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1f8i h VAL 78 CO -0.07 0.09 0.08 1.56 0.02 0.00 0.00 177.57 179.25 1f8i h GLN 79 N 0.46 0.87 -0.79 1.57 1.08 -0.50 0.18 115.11 117.97 1f8i h GLN 79 Ca 0.12 -0.23 0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1f8i h GLN 79 Cb -0.05 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.22 1f8i h GLN 79 CO -0.03 0.85 0.46 1.96 -0.95 0.00 0.00 178.83 181.12 1f8i h GLN 80 N 0.75 0.79 -0.11 1.46 4.20 -0.83 0.34 115.11 121.71 1f8i h GLN 80 Ca 0.16 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1f8i h GLN 80 Cb 0.41 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1f8i h GLN 80 CO 0.01 0.52 -0.28 0.28 -0.67 0.00 0.00 178.83 178.69 1f8i h VAL 81 N 0.81 1.39 -0.78 -0.54 2.07 -1.01 -1.70 116.25 116.48 1f8i h VAL 81 Ca 0.36 -1.60 0.14 0.00 0.82 0.00 0.00 66.70 66.42 1f8i h VAL 81 Cb 0.26 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1f8i h VAL 81 CO -0.21 0.47 0.51 -0.09 0.02 0.00 0.00 177.57 178.27 1f8i h ARG 82 N -0.06 0.51 0.00 1.57 9.65 0.07 0.57 114.38 126.69 1f8i h ARG 82 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1f8i h ARG 82 Cb 0.89 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1f8i h ARG 82 CO 0.06 0.34 0.00 0.00 2.80 0.00 0.00 179.97 183.17 1f8i n ALA 83 N -2.49 2.15 0.00 2.80 0.00 0.11 -4.91 120.51 118.17 1f8i n ALA 83 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1f8i n ALA 83 Cb 0.47 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.00 1.17 3.77 0.00 0.00 0.19 -5.08 105.19 106.24 1f8i n GLY 84 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 3.77 -0.09 0.99 1.43 -0.65 -4.95 118.68 119.17 1f8i s LEU 85 Ca 0.00 2.28 0.13 0.00 -1.03 0.00 0.00 54.13 55.51 1f8i s LEU 85 Cb 0.00 -4.52 0.33 0.00 0.03 0.00 0.00 46.19 42.03 1f8i s LEU 85 CO 0.00 -1.29 1.25 0.29 0.23 0.00 0.00 176.35 176.83 1f8i n LYS 86 N -1.24 2.56 -3.53 1.70 5.02 -1.26 -4.46 118.16 116.94 1f8i n LYS 86 Ca 0.11 -2.35 -0.16 0.00 -2.02 0.00 0.00 58.31 53.89 1f8i n LYS 86 Cb 0.50 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.06 -1.56 -0.08 7.82 0.00 -1.26 -4.15 121.76 120.46 1f8i s ALA 87 Ca 0.28 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1f8i s ALA 87 Cb 0.21 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1f8i s ALA 87 CO 0.08 -0.47 -0.18 0.42 0.00 0.00 0.00 175.76 175.61 1f8i s ILE 88 N -1.95 1.61 -0.17 0.00 1.01 -0.33 -4.53 121.20 116.83 1f8i s ILE 88 Ca -0.08 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1f8i s ILE 88 Cb -0.01 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1f8i s ILE 88 CO 0.03 0.46 0.09 -0.47 0.00 0.00 0.00 174.94 175.04 1f8i s TYR 89 N 0.41 3.34 -0.47 3.97 5.04 -1.11 -0.81 117.35 127.73 1f8i s TYR 89 Ca -0.15 0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.69 1f8i s TYR 89 Cb -0.16 -2.05 0.12 0.00 0.35 0.00 0.00 41.96 40.22 1f8i s TYR 89 CO 0.06 0.31 0.26 -1.17 -1.34 0.00 0.00 175.55 173.67 1f8i s LEU 90 N 0.03 5.16 0.19 6.97 2.96 0.07 -0.75 118.68 133.31 1f8i s LEU 90 Ca 0.07 -2.31 -0.30 0.00 -0.22 0.00 0.00 54.13 51.37 1f8i s LEU 90 Cb -0.12 -1.81 -0.08 0.00 0.50 0.00 0.00 46.19 44.68 1f8i s LEU 90 CO 0.00 -0.47 1.22 -0.55 -1.32 0.00 0.00 176.35 175.23 1f8i s SER 91 N 1.34 7.05 0.14 3.68 0.15 -1.26 -1.95 113.70 122.85 1f8i s SER 91 Ca 0.11 2.27 -0.04 0.00 0.70 0.00 0.00 55.95 58.99 1f8i s SER 91 Cb -0.22 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.42 1f8i s SER 91 CO -0.04 -0.40 1.34 1.23 1.20 0.00 0.00 173.24 176.57 1f8i h GLY 92 N 5.23 0.46 0.37 9.45 0.00 -1.94 -2.88 103.07 113.75 1f8i h GLY 92 Ca -0.45 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.16 1f8i h GLY 92 CO 0.75 0.67 -0.25 -0.25 0.00 0.00 0.00 176.54 177.46 1f8i h TRP 93 N 0.24 -0.66 -0.57 5.60 7.01 -1.95 0.57 115.95 126.18 1f8i h TRP 93 Ca -0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1f8i h TRP 93 Cb 1.51 0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 28.84 1f8i h TRP 93 CO 0.06 -0.33 0.28 1.96 -2.79 0.00 0.00 178.44 177.61 1f8i h GLN 94 N -0.36 0.80 -0.29 2.65 4.20 -1.89 -0.10 115.11 120.13 1f8i h GLN 94 Ca 0.08 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1f8i h GLN 94 Cb 0.47 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1f8i h GLN 94 CO -0.26 0.62 0.08 0.28 -0.67 0.00 0.00 178.83 178.88 1f8i h VAL 95 N 0.80 1.21 -0.83 -0.54 2.07 -1.18 0.19 116.25 117.98 1f8i h VAL 95 Ca 0.20 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1f8i h VAL 95 Cb 0.07 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1f8i h VAL 95 CO -0.03 0.22 0.53 0.00 0.02 0.00 0.00 177.57 178.32 1f8i h ALA 96 N 0.91 1.09 0.00 1.67 0.00 -0.24 -0.53 119.26 122.16 1f8i h ALA 96 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1f8i h ALA 96 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1f8i h ALA 96 CO -0.00 0.36 -0.89 0.78 0.00 0.00 0.00 179.25 179.50 1f8i h GLY 97 N 1.03 0.00 -0.32 0.00 0.00 -0.59 0.11 103.07 103.30 1f8i h GLY 97 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1f8i h GLY 97 CO -0.12 0.00 -0.04 1.34 0.00 0.00 0.00 176.54 177.72 1f8i n ASP 98 N -3.44 0.00 -2.69 0.19 2.03 0.64 -4.47 116.55 108.80 1f8i n ASP 98 Ca -0.00 -1.09 -0.07 0.00 0.52 0.00 0.00 54.79 54.15 1f8i n ASP 98 Cb 0.85 -0.02 0.11 0.00 -0.72 0.00 0.00 41.12 41.35 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 1.60 -2.49 -1.67 0.00 -0.28 -4.98 120.51 112.69 1f8i n ALA 99 Ca 0.00 -1.51 -0.25 0.00 0.00 0.00 0.00 53.44 51.68 1f8i n ALA 99 Cb 0.52 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.45 3.76 0.00 0.00 4.22 -0.78 -4.73 114.94 115.96 1f8i s ASN 100 Ca 0.22 -0.88 0.08 0.00 -2.14 0.00 0.00 52.86 50.14 1f8i s ASN 100 Cb 0.41 -0.41 0.40 0.00 1.28 0.00 0.00 41.25 42.93 1f8i s ASN 100 CO -0.08 0.07 1.06 0.18 -2.04 0.00 0.00 177.10 176.29 1f8i n LEU 101 N -0.33 0.00 0.10 3.54 4.77 -1.26 -1.87 117.00 121.95 1f8i n LEU 101 Ca -0.08 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1f8i n LEU 101 Cb 0.58 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 1f8i n LEU 101 CO 0.36 -0.17 0.43 0.77 -1.33 0.00 0.00 177.39 177.45 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 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1f8i h SER 102 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1f8i h SER 102 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1f8i n GLY 103 N 1.27 1.40 3.97 -0.77 0.00 -0.78 -5.02 105.19 105.25 1f8i n GLY 103 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.60 3.41 -0.16 1.61 3.76 -1.26 -5.03 115.29 114.02 1f8i s HIS 104 Ca 0.00 0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.77 1f8i s HIS 104 Cb 0.00 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 1f8i s HIS 104 CO 0.00 0.30 0.41 0.99 -0.85 0.00 0.00 174.74 175.58 1f8i s THR 105 N -2.08 5.22 0.05 1.30 2.01 -1.26 -4.71 115.64 116.16 1f8i s THR 105 Ca 0.37 0.77 0.01 0.00 0.31 0.00 0.00 61.69 63.15 1f8i s THR 105 Cb -0.09 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1f8i s THR 105 CO 0.31 0.31 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.18 1f8i s TYR 106 N 0.83 0.61 0.77 4.92 2.02 0.37 -4.98 117.35 121.89 1f8i s TYR 106 Ca 0.21 -0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 1f8i s TYR 106 Cb -0.14 -0.38 0.05 0.00 -0.40 0.00 0.00 41.96 41.09 1f8i s TYR 106 CO 0.08 -0.15 1.11 -1.25 -1.57 0.00 0.00 175.55 173.76 1f8i s PRO 107 N -2.31 2.30 -1.19 -1.71 0.04 -1.26 -3.34 135.00 127.52 1f8i s PRO 107 Ca -0.05 0.46 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1f8i s PRO 107 Cb -0.05 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1f8i s PRO 107 CO -0.02 -1.43 1.90 -3.47 0.04 0.00 0.00 177.00 174.01 1f8i n ASP 108 N -3.27 3.68 -2.16 6.66 2.03 -1.26 -4.58 116.55 117.64 1f8i n ASP 108 Ca 0.07 -2.78 0.02 0.00 0.52 0.00 0.00 54.79 52.62 1f8i n ASP 108 Cb 0.58 -1.65 0.04 0.00 -0.72 0.00 0.00 41.12 39.37 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 7.93 0.92 -3.96 -0.67 6.02 -1.26 -1.71 117.38 124.65 1f8i n GLN 109 Ca 0.48 -2.79 -0.29 0.00 -0.01 0.00 0.00 57.00 54.38 1f8i n GLN 109 Cb 0.45 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.08 -2.63 0.04 1.08 7.64 -1.26 -4.54 113.62 113.88 1f8i n SER 110 Ca 0.07 -0.90 0.02 0.00 1.01 0.00 0.00 58.87 59.07 1f8i n SER 110 Cb 0.97 -3.43 -0.07 0.00 -1.01 0.00 0.00 64.21 60.67 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 -4.47 0.86 -4.89 -3.43 4.77 -1.26 -4.96 117.00 103.62 1f8i n LEU 111 Ca -0.10 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 55.96 1f8i n LEU 111 Cb 0.59 0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 1f8i n LEU 111 CO 0.77 0.09 0.69 -0.72 -1.33 0.00 0.00 177.39 176.90 1f8i s TYR 112 N -2.99 3.30 0.23 -1.77 -0.85 -1.26 -5.00 117.35 109.00 1f8i s TYR 112 Ca -0.03 0.93 -0.32 0.00 -0.52 0.00 0.00 57.07 57.14 1f8i s TYR 112 Cb 0.09 -2.99 -0.12 0.00 0.38 0.00 0.00 41.96 39.32 1f8i s TYR 112 CO 0.81 -1.10 1.68 -2.30 -1.52 0.00 0.00 175.55 173.12 1f8i n PRO 113 N -2.90 2.73 0.25 -3.49 -0.02 -1.26 -4.88 135.00 125.44 1f8i n PRO 113 Ca 0.06 0.98 0.12 0.00 -2.02 0.00 0.00 63.50 62.65 1f8i n PRO 113 Cb 0.57 -2.81 0.66 0.00 -0.02 0.00 0.00 33.50 31.91 1f8i n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f8i h ALA 114 N 6.17 1.21 -0.63 3.55 0.00 -1.96 0.30 119.26 127.90 1f8i h ALA 114 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1f8i h ALA 114 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1f8i h ALA 114 CO 0.91 -0.21 0.00 0.27 0.00 0.00 0.00 179.25 180.22 1f8i n ASN 115 N -2.52 3.57 0.11 0.00 6.94 -1.26 -4.52 115.26 117.58 1f8i n ASN 115 Ca -0.02 -2.07 -0.13 0.00 -0.02 0.00 0.00 54.58 52.34 1f8i n ASN 115 Cb 0.29 -0.45 -0.08 0.00 -2.36 0.00 0.00 39.78 37.17 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 3.70 -0.22 -0.14 0.53 0.02 -1.29 -2.68 113.55 113.47 1f8i h SER 116 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1f8i h SER 116 Cb 0.94 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1f8i h SER 116 CO 0.04 0.03 0.09 0.58 -1.14 0.00 0.00 176.83 176.44 1f8i h VAL 117 N -0.48 1.03 -0.91 2.27 2.07 -1.81 -2.13 116.25 116.30 1f8i h VAL 117 Ca -0.03 -0.07 0.18 0.00 0.82 0.00 0.00 66.70 67.60 1f8i h VAL 117 Cb 0.36 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1f8i h VAL 117 CO 0.04 0.04 0.48 -0.65 0.02 0.00 0.00 177.57 177.50 1f8i h PRO 118 N 0.19 0.60 -0.56 1.57 0.11 -1.83 0.27 132.00 132.35 1f8i h PRO 118 Ca 0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1f8i h PRO 118 Cb -0.02 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1f8i h PRO 118 CO -0.01 0.40 0.21 1.96 -0.21 0.00 0.00 178.00 180.35 1f8i h GLN 119 N 0.62 0.82 -0.02 1.05 1.08 -1.08 -0.72 115.11 116.87 1f8i h GLN 119 Ca 0.52 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 57.44 1f8i h GLN 119 Cb 0.82 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1f8i h GLN 119 CO -0.40 0.68 -0.68 0.28 -0.95 0.00 0.00 178.83 177.76 1f8i h VAL 120 N 0.81 1.46 0.14 -0.54 2.07 0.02 -1.38 116.25 118.83 1f8i h VAL 120 Ca 0.19 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 1f8i h VAL 120 Cb 0.18 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1f8i h VAL 120 CO -0.02 0.65 -0.07 0.58 0.02 0.00 0.00 177.57 178.73 1f8i h VAL 121 N 0.06 0.94 -0.88 2.57 2.07 0.02 0.00 116.25 121.04 1f8i h VAL 121 Ca -0.01 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1f8i h VAL 121 Cb 1.20 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 1f8i h VAL 121 CO 0.09 0.08 0.53 -0.09 0.02 0.00 0.00 177.57 178.21 1f8i h ARG 122 N -0.35 0.90 -0.20 1.57 9.65 -1.08 -1.31 114.38 123.57 1f8i h ARG 122 Ca -0.02 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1f8i h ARG 122 Cb 0.28 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1f8i h ARG 122 CO 0.03 0.59 0.08 -0.09 2.80 0.00 0.00 179.97 183.38 1f8i h ARG 123 N 0.93 0.30 -0.55 0.20 9.65 -0.95 -0.79 114.38 123.17 1f8i h ARG 123 Ca 0.40 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.24 1f8i h ARG 123 Cb 0.28 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1f8i h ARG 123 CO -0.21 0.37 0.36 0.82 2.80 0.00 0.00 179.97 184.11 1f8i h ILE 124 N 0.17 1.12 -0.78 1.20 2.04 -0.51 -0.50 117.51 120.24 1f8i h ILE 124 Ca 0.07 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1f8i h ILE 124 Cb 0.18 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1f8i h ILE 124 CO -0.00 0.13 0.37 0.78 0.00 0.00 0.00 178.15 179.43 1f8i h ASN 125 N 0.73 1.02 -0.81 1.72 2.35 -1.08 -1.06 115.58 118.44 1f8i h ASN 125 Ca 0.21 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1f8i h ASN 125 Cb -0.06 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 1f8i h ASN 125 CO -0.06 0.86 0.38 0.78 -1.65 0.00 0.00 177.43 177.74 1f8i h ASN 126 N 1.11 1.08 -0.38 5.81 2.35 -0.42 0.43 115.58 125.56 1f8i h ASN 126 Ca 0.27 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1f8i h ASN 126 Cb 0.11 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1f8i h ASN 126 CO -0.03 0.92 0.13 0.00 -1.65 0.00 0.00 177.43 176.79 1f8i h ALA 127 N 1.20 0.50 -0.39 -0.83 0.00 -0.57 -1.26 119.26 117.90 1f8i h ALA 127 Ca 0.28 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1f8i h ALA 127 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1f8i h ALA 127 CO -0.03 0.13 -0.10 -0.07 0.00 0.00 0.00 179.25 179.18 1f8i h LEU 128 N 0.47 0.67 -1.03 0.00 3.38 -0.94 -1.91 115.31 115.95 1f8i h LEU 128 Ca 0.12 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1f8i h LEU 128 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1f8i h LEU 128 CO -0.01 0.80 -0.10 1.56 0.09 0.00 0.00 178.44 180.78 1f8i h GLN 129 N 0.63 0.58 -0.20 1.13 4.20 -0.59 0.58 115.11 121.44 1f8i h GLN 129 Ca 0.11 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1f8i h GLN 129 Cb 0.54 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1f8i h GLN 129 CO 0.03 0.68 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.75 1f8i h ARG 130 N 0.53 0.38 -0.81 1.46 9.65 -0.79 -0.03 114.38 124.77 1f8i h ARG 130 Ca 0.10 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1f8i h ARG 130 Cb 0.50 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 1f8i h ARG 130 CO 0.03 0.61 0.52 0.00 2.80 0.00 0.00 179.97 183.93 1f8i h ALA 131 N 0.76 1.05 -0.57 2.80 0.00 -1.01 0.45 119.26 122.74 1f8i h ALA 131 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1f8i h ALA 131 Cb 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1f8i h ALA 131 CO 0.02 0.36 0.31 0.22 0.00 0.00 0.00 179.25 180.16 1f8i h ASP 132 N 1.03 0.71 -0.62 0.00 3.58 -0.64 0.52 116.42 121.00 1f8i h ASP 132 Ca 0.32 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 1f8i h ASP 132 Cb -0.02 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1f8i h ASP 132 CO -0.10 0.60 0.24 1.56 -2.88 0.00 0.00 179.24 178.67 1f8i h GLN 133 N 0.77 0.92 -0.00 0.28 4.20 -0.19 -2.04 115.11 119.05 1f8i h GLN 133 Ca 0.20 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1f8i h GLN 133 Cb 0.05 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1f8i h GLN 133 CO -0.03 0.78 -0.00 0.82 -0.67 0.00 0.00 178.83 179.73 1f8i h ILE 134 N 0.86 1.26 -1.01 2.54 2.04 -0.63 -2.78 117.51 119.80 1f8i h ILE 134 Ca 0.20 -0.77 0.15 0.00 1.00 0.00 0.00 64.86 65.44 1f8i h ILE 134 Cb 0.21 1.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 1f8i h ILE 134 CO -0.02 0.20 0.63 0.00 0.00 0.00 0.00 178.15 178.96 1f8i h ALA 135 N 0.67 1.58 -0.68 1.87 0.00 -0.81 0.16 119.26 122.06 1f8i h ALA 135 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1f8i h ALA 135 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1f8i h ALA 135 CO 0.00 0.12 0.16 -0.22 0.00 0.00 0.00 179.25 179.31 1f8i h LYS 136 N 0.90 1.08 0.00 0.00 3.64 -1.24 0.16 116.57 121.12 1f8i h LYS 136 Ca 0.53 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1f8i h LYS 136 Cb 0.66 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1f8i h LYS 136 CO -0.31 0.96 -0.02 -0.84 -2.27 0.00 0.00 179.45 176.97 1f8i h ILE 137 N 1.01 0.04 -0.19 2.00 3.07 -0.98 -3.01 117.51 119.45 1f8i h ILE 137 Ca 0.21 -1.02 0.00 0.00 1.55 0.00 0.00 64.86 65.61 1f8i h ILE 137 Cb 0.37 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 1f8i h ILE 137 CO 0.00 0.02 0.00 -0.62 -1.05 0.00 0.00 178.15 176.50 1f8i n GLU 138 N -3.11 2.08 -2.21 0.16 1.02 -0.06 -4.92 120.64 113.60 1f8i n GLU 138 Ca 0.04 -1.61 -0.20 0.00 -0.02 0.00 0.00 57.16 55.37 1f8i n GLU 138 Cb 0.52 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.30 0.06 3.58 0.62 0.00 -0.45 -4.92 105.19 105.37 1f8i n GLY 139 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.20 6.54 -0.15 1.61 -1.08 0.45 -4.88 116.67 116.95 1f8i s ASP 140 Ca 0.00 0.26 0.16 0.00 -0.52 0.00 0.00 52.55 52.45 1f8i s ASP 140 Cb 0.00 -2.43 0.64 0.00 -1.46 0.00 0.00 42.92 39.67 1f8i s ASP 140 CO 0.00 -0.90 1.55 0.35 0.52 0.00 0.00 175.17 176.69 1f8i n THR 141 N 6.10 2.13 -0.32 1.71 -2.24 -1.26 -4.59 114.28 115.81 1f8i n THR 141 Ca 0.05 -1.45 0.08 0.00 -2.27 0.00 0.00 64.05 60.46 1f8i n THR 141 Cb 0.48 -0.06 0.25 0.00 -2.10 0.00 0.00 70.33 68.90 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 3.07 0.67 -3.33 3.42 0.87 -1.97 -3.39 113.55 112.90 1f8i h SER 142 Ca 0.00 0.08 -0.66 0.00 -1.23 0.00 0.00 61.79 59.99 1f8i h SER 142 Cb 1.50 -0.03 -0.28 0.00 -0.44 0.00 0.00 62.40 63.15 1f8i h SER 142 CO 0.27 0.29 -0.75 -0.69 -0.53 0.00 0.00 176.83 175.42 1f8i s VAL 143 N -5.94 3.14 0.05 2.23 1.01 -1.26 -5.02 120.40 114.60 1f8i s VAL 143 Ca -0.12 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 1f8i s VAL 143 Cb 0.22 -2.37 -0.13 0.00 0.00 0.00 0.00 36.38 34.10 1f8i s VAL 143 CO 0.79 0.48 1.41 1.05 0.00 0.00 0.00 175.10 178.83 1f8i h GLU 144 N 7.46 0.31 -3.66 2.72 9.09 -1.97 -3.41 114.58 125.12 1f8i h GLU 144 Ca -0.35 -0.13 -0.59 0.00 0.05 0.00 0.00 59.36 58.34 1f8i h GLU 144 Cb 1.18 -0.01 -0.40 0.00 -1.65 0.00 0.00 28.75 27.87 1f8i h GLU 144 CO 0.59 0.62 -0.75 1.21 0.05 0.00 0.00 179.01 180.73 1f8i s ASN 145 N -5.95 4.10 0.31 3.06 3.04 -1.26 -4.97 114.94 113.28 1f8i s ASN 145 Ca -0.14 -1.69 0.07 0.00 0.04 0.00 0.00 52.86 51.15 1f8i s ASN 145 Cb 0.05 -0.94 0.50 0.00 -1.54 0.00 0.00 41.25 39.33 1f8i s ASN 145 CO 0.73 -0.41 1.73 -0.50 -3.04 0.00 0.00 177.10 175.61 1f8i h TRP 146 N 8.04 0.24 -0.11 0.43 4.06 -1.92 -3.33 115.95 123.36 1f8i h TRP 146 Ca -0.13 -0.06 -0.71 0.00 2.06 0.00 0.00 58.89 60.06 1f8i h TRP 146 Cb 1.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 1f8i h TRP 146 CO 0.37 0.57 3.20 1.28 -3.56 0.00 0.00 178.44 180.30 1f8i n LEU 147 N -4.05 7.26 -4.76 -4.49 4.77 -1.26 -4.87 117.00 109.60 1f8i n LEU 147 Ca -0.01 -4.23 -0.38 0.00 -0.03 0.00 0.00 56.01 51.35 1f8i n LEU 147 Cb 0.46 -1.62 0.01 0.00 -2.33 0.00 0.00 43.42 39.93 1f8i n LEU 147 CO 0.41 1.34 0.92 0.00 -1.33 0.00 0.00 177.39 178.73 1f8i s ALA 148 N 2.73 3.02 0.35 -1.18 0.00 -1.25 -4.88 121.76 120.55 1f8i s ALA 148 Ca 0.51 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 53.35 1f8i s ALA 148 Cb 0.15 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1f8i s ALA 148 CO -0.08 -0.94 1.28 -1.25 0.00 0.00 0.00 175.76 174.77 1f8i s PRO 149 N -2.62 4.27 -0.18 0.00 0.04 -1.26 -4.75 135.00 130.50 1f8i s PRO 149 Ca 0.64 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.77 1f8i s PRO 149 Cb -0.35 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1f8i s PRO 149 CO 0.43 -0.24 -0.01 0.42 0.04 0.00 0.00 177.00 177.65 1f8i s ILE 150 N -1.19 4.04 -0.27 0.56 1.01 -1.26 -1.19 121.20 122.90 1f8i s ILE 150 Ca 0.51 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.78 1f8i s ILE 150 Cb -0.38 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1f8i s ILE 150 CO 0.50 0.46 0.10 -0.69 0.00 0.00 0.00 174.94 175.31 1f8i s VAL 151 N 0.62 4.45 0.19 2.92 1.01 0.01 -0.74 120.40 128.85 1f8i s VAL 151 Ca -0.01 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1f8i s VAL 151 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1f8i s VAL 151 CO 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 175.10 175.33 1f8i s ALA 152 N 1.62 3.10 -0.31 5.51 0.00 0.16 -0.75 121.76 131.09 1f8i s ALA 152 Ca 0.06 -1.44 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 1f8i s ALA 152 Cb -0.16 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1f8i s ALA 152 CO 0.05 0.45 0.99 0.34 0.00 0.00 0.00 175.76 177.59 1f8i s ASP 153 N -2.97 6.87 0.00 0.00 -1.08 -0.82 -1.64 116.67 117.03 1f8i s ASP 153 Ca 0.27 0.97 0.23 0.00 -0.52 0.00 0.00 52.55 53.49 1f8i s ASP 153 Cb -0.09 -2.50 0.10 0.00 -1.46 0.00 0.00 42.92 38.96 1f8i s ASP 153 CO 0.17 -0.78 1.16 0.61 0.52 0.00 0.00 175.17 176.86 1f8i n GLY 154 N 3.91 0.53 7.00 2.66 0.00 -0.42 -4.78 105.19 114.09 1f8i n GLY 154 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.70 0.00 -0.50 1.61 1.02 -1.23 -1.52 120.64 120.73 1f8i n GLU 155 Ca 0.12 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1f8i n GLU 155 Cb 0.53 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.25 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 10.61 2.89 0.00 0.62 0.00 -1.26 -1.49 120.51 131.89 1f8i n ALA 156 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1f8i n ALA 156 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.66 2.37 3.42 0.00 0.00 -0.57 -4.23 105.19 106.83 1f8i n GLY 157 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.63 0.00 1.61 3.72 -1.26 -3.36 117.46 113.53 1f8i n PHE 158 Ca 0.00 0.90 0.00 0.00 -0.05 0.00 0.00 57.45 58.30 1f8i n PHE 158 Cb 0.00 -4.80 0.00 0.00 -0.94 0.00 0.00 39.48 33.74 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 -1.88 0.48 0.00 1.37 0.00 -1.26 -4.85 105.19 99.04 1f8i n GLY 159 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 1.05 0.36 -0.02 0.00 -1.26 -4.82 105.19 100.50 1f8i n GLY 160 Ca 0.00 -1.95 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 -0.80 2.04 -0.10 4.61 0.00 -1.95 -1.38 119.26 121.68 1f8i h ALA 161 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1f8i h ALA 161 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1f8i h ALA 161 CO 0.00 -0.19 -0.66 -0.07 0.00 0.00 0.00 179.25 178.33 1f8i h LEU 162 N 0.43 0.44 -0.43 0.00 3.38 -1.96 -0.30 115.31 116.86 1f8i h LEU 162 Ca 0.31 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1f8i h LEU 162 Cb 0.64 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1f8i h LEU 162 CO -0.09 0.98 -0.34 0.78 0.09 0.00 0.00 178.44 179.86 1f8i h ASN 163 N 0.27 1.00 -0.07 -0.43 2.35 -1.59 -1.83 115.58 115.29 1f8i h ASN 163 Ca -0.02 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 1f8i h ASN 163 Cb 1.21 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1f8i h ASN 163 CO 0.11 1.23 -0.01 0.58 -1.65 0.00 0.00 177.43 177.69 1f8i h VAL 164 N 0.79 0.94 -0.28 2.81 2.07 -1.12 -1.01 116.25 120.45 1f8i h VAL 164 Ca 0.08 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1f8i h VAL 164 Cb 0.93 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1f8i h VAL 164 CO 0.09 0.00 0.01 0.22 0.02 0.00 0.00 177.57 177.91 1f8i h TYR 165 N 0.01 -0.00 -0.44 1.57 5.03 -0.90 -1.42 116.97 120.81 1f8i h TYR 165 Ca 0.03 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1f8i h TYR 165 Cb 0.04 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1f8i h TYR 165 CO -0.12 -0.04 0.07 0.93 -1.32 0.00 0.00 178.16 177.69 1f8i h GLU 166 N 0.09 0.68 -0.21 1.82 4.39 -1.06 -0.92 114.58 119.38 1f8i h GLU 166 Ca 0.13 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1f8i h GLU 166 Cb 0.17 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1f8i h GLU 166 CO -0.21 0.65 -0.06 1.25 -1.16 0.00 0.00 179.01 179.47 1f8i h LEU 167 N 0.66 0.41 -0.69 1.33 5.85 -0.74 -0.83 115.31 121.29 1f8i h LEU 167 Ca 0.14 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1f8i h LEU 167 Cb 0.30 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1f8i h LEU 167 CO 0.00 0.70 0.41 -0.61 -0.34 0.00 0.00 178.44 178.60 1f8i h GLN 168 N 0.12 0.95 -0.78 1.25 5.75 -1.07 0.87 115.11 122.20 1f8i h GLN 168 Ca 0.05 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1f8i h GLN 168 Cb 0.52 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1f8i h GLN 168 CO 0.02 0.69 0.31 -0.22 -2.65 0.00 0.00 178.83 176.98 1f8i h LYS 169 N 0.95 1.17 -0.37 1.69 3.64 -1.10 -0.84 116.57 121.70 1f8i h LYS 169 Ca 0.25 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1f8i h LYS 169 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1f8i h LYS 169 CO -0.04 0.94 -0.35 0.00 -2.27 0.00 0.00 179.45 177.73 1f8i h ALA 170 N 1.20 0.54 -0.86 5.00 0.00 -0.58 -1.51 119.26 123.05 1f8i h ALA 170 Ca 0.26 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1f8i h ALA 170 Cb 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1f8i h ALA 170 CO -0.02 0.62 0.47 -0.07 0.00 0.00 0.00 179.25 180.25 1f8i h LEU 171 N 0.70 1.08 -0.41 0.00 3.38 -0.58 -1.92 115.31 117.56 1f8i h LEU 171 Ca 0.06 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1f8i h LEU 171 Cb 0.94 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1f8i h LEU 171 CO 0.09 0.86 -0.07 0.40 0.09 0.00 0.00 178.44 179.81 1f8i h ILE 172 N 1.20 1.27 0.00 1.22 2.04 -1.04 -1.29 117.51 120.92 1f8i h ILE 172 Ca 0.30 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1f8i h ILE 172 Cb 0.03 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1f8i h ILE 172 CO -0.05 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.40 1f8i h ALA 173 N 0.86 1.75 -0.00 1.87 0.00 -0.95 0.15 119.26 122.93 1f8i h ALA 173 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1f8i h ALA 173 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f8i h ALA 173 CO 0.04 0.11 -0.12 0.00 0.00 0.00 0.00 179.25 179.28 1f8i n ALA 174 N -2.47 2.69 -0.84 0.00 0.00 -0.75 -4.93 120.51 114.20 1f8i n ALA 174 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1f8i n ALA 174 Cb 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1f8i n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f8i n GLY 175 N 1.40 1.19 3.82 0.00 0.00 0.04 -3.73 105.19 107.91 1f8i n GLY 175 Ca 0.10 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.18 4.07 -0.22 1.61 0.11 -0.53 -4.06 120.40 119.20 1f8i s VAL 176 Ca 0.00 0.99 0.07 0.00 -2.93 0.00 0.00 61.98 60.11 1f8i s VAL 176 Cb 0.00 -3.50 -0.18 0.00 -1.53 0.00 0.00 36.38 31.16 1f8i s VAL 176 CO 0.00 -0.57 -0.10 0.00 -3.33 0.00 0.00 175.10 171.10 1f8i n ALA 177 N -1.86 1.51 -2.91 1.54 0.00 0.08 -4.32 120.51 114.55 1f8i n ALA 177 Ca 0.08 -1.09 -0.10 0.00 0.00 0.00 0.00 53.44 52.33 1f8i n ALA 177 Cb 0.53 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 -5.90 -0.19 -0.03 0.00 0.00 -0.78 -1.48 107.32 98.95 1f8i s GLY 178 Ca -0.23 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.25 1f8i s GLY 178 CO 0.63 -0.38 0.21 -1.35 0.00 0.00 0.00 173.10 172.20 1f8i s SER 179 N -2.71 -0.11 0.11 1.64 1.04 -0.34 -0.66 113.70 112.66 1f8i s SER 179 Ca 0.02 0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.61 1f8i s SER 179 Cb 0.02 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1f8i s SER 179 CO -0.11 -0.29 -0.16 -1.38 0.98 0.00 0.00 173.24 172.28 1f8i s HIS 180 N -0.88 2.59 -0.03 5.02 -3.43 -0.65 -0.95 115.29 116.96 1f8i s HIS 180 Ca -0.10 -0.23 0.01 0.00 -0.80 0.00 0.00 55.06 53.94 1f8i s HIS 180 Cb -0.05 -1.37 0.01 0.00 -1.43 0.00 0.00 32.58 29.74 1f8i s HIS 180 CO 0.02 0.40 -0.04 -1.58 -2.00 0.00 0.00 174.74 171.53 1f8i s TRP 181 N -1.16 0.60 0.09 0.38 0.52 -0.20 -1.29 118.94 117.88 1f8i s TRP 181 Ca 0.19 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.23 1f8i s TRP 181 Cb -0.11 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.67 1f8i s TRP 181 CO 0.11 -0.11 -0.02 -1.83 0.02 0.00 0.00 176.95 175.12 1f8i s GLU 182 N 0.50 2.47 -0.16 4.98 -1.05 -0.56 -0.30 118.70 124.58 1f8i s GLU 182 Ca -0.06 -0.87 -0.05 0.00 -0.15 0.00 0.00 54.97 53.84 1f8i s GLU 182 Cb -0.10 -2.50 -0.14 0.00 -0.44 0.00 0.00 34.13 30.95 1f8i s GLU 182 CO -0.00 0.54 3.27 -0.40 0.95 0.00 0.00 175.26 179.62 1f8i n ASP 183 N 0.62 5.69 -4.67 0.83 5.68 -1.02 -4.60 116.55 119.07 1f8i n ASP 183 Ca -0.11 -2.74 -0.23 0.00 -0.50 0.00 0.00 54.79 51.20 1f8i n ASP 183 Cb 0.52 -1.34 -0.07 0.00 -1.14 0.00 0.00 41.12 39.09 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 -0.01 2.40 -0.08 0.11 -0.21 -1.26 -1.72 119.66 118.90 1f8i s GLN 184 Ca 0.62 -1.31 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 1f8i s GLN 184 Cb 0.33 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1f8i s GLN 184 CO -0.08 0.39 1.36 -1.17 -2.12 0.00 0.00 175.29 173.66 1f8i s LEU 185 N -3.56 4.26 0.14 2.90 2.96 0.78 -4.67 118.68 121.49 1f8i s LEU 185 Ca 0.31 1.93 -0.19 0.00 -0.22 0.00 0.00 54.13 55.96 1f8i s LEU 185 Cb -0.07 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1f8i s LEU 185 CO 0.20 -0.74 1.70 0.00 -1.32 0.00 0.00 176.35 176.19 1f8i h ALA 186 N 8.17 0.22 0.00 5.97 0.00 -1.88 0.08 119.26 131.82 1f8i h ALA 186 Ca -0.33 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1f8i h ALA 186 Cb 1.15 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1f8i h ALA 186 CO 0.93 -0.44 0.05 0.66 0.00 0.00 0.00 179.25 180.45 1f8i h SER 187 N 0.04 0.00 0.00 0.00 4.64 -1.94 -1.43 113.55 114.87 1f8i h SER 187 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1f8i h SER 187 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1f8i h SER 187 CO -0.25 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 174.98 1f8i n GLU 188 N -2.81 1.01 -1.57 4.77 -0.58 -0.79 -5.07 120.64 115.59 1f8i n GLU 188 Ca -0.02 -2.20 -0.51 0.00 -0.42 0.00 0.00 57.16 54.00 1f8i n GLU 188 Cb 0.10 -1.27 -0.05 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.10 1.04 -4.33 3.49 0.00 -0.05 -4.58 118.16 112.63 1f8i n LYS 189 Ca 0.12 0.37 -0.20 0.00 0.00 0.00 0.00 58.31 58.60 1f8i n LYS 189 Cb 0.65 -1.94 -0.11 0.00 0.00 0.00 0.00 35.03 33.63 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 0.09 1.26 0.51 1.64 -0.14 -1.26 -4.21 119.74 117.64 1f8i s LYS 190 Ca 0.80 -1.45 -0.22 0.00 -1.36 0.00 0.00 55.97 53.75 1f8i s LYS 190 Cb -0.94 -1.21 -0.06 0.00 -1.68 0.00 0.00 37.83 33.94 1f8i s LYS 190 CO 0.50 0.23 1.19 0.45 -0.76 0.00 0.00 175.35 176.96 1f8i s SER 191 N -2.87 5.82 0.47 2.83 0.15 -0.69 -4.87 113.70 114.54 1f8i s SER 191 Ca 0.17 2.36 0.30 0.00 0.70 0.00 0.00 55.95 59.49 1f8i s SER 191 Cb -0.04 -2.60 1.38 0.00 -1.71 0.00 0.00 66.02 63.05 1f8i s SER 191 CO 0.06 -1.16 1.73 1.23 1.20 0.00 0.00 173.24 176.30 1f8i h GLY 192 N 1.65 0.74 -2.27 9.45 0.00 -2.00 -0.98 103.07 109.66 1f8i h GLY 192 Ca -0.50 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 46.57 1f8i h GLY 192 CO 0.58 -0.14 0.06 1.42 0.00 0.00 0.00 176.54 178.46 1f8i n HIS 193 N -4.44 1.39 -4.27 5.60 8.25 -1.26 -4.92 115.22 115.57 1f8i n HIS 193 Ca 0.30 -1.38 -0.23 0.00 -0.26 0.00 0.00 57.72 56.15 1f8i n HIS 193 Cb 1.23 -0.51 -0.07 0.00 1.12 0.00 0.00 29.99 31.77 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 -3.11 3.26 0.82 2.41 1.43 -0.37 -5.14 118.68 117.98 1f8i s LEU 194 Ca 0.46 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1f8i s LEU 194 Cb 0.40 -1.79 0.16 0.00 0.03 0.00 0.00 46.19 44.99 1f8i s LEU 194 CO 0.05 0.00 1.13 -0.83 0.23 0.00 0.00 176.35 176.93 1f8i s GLY 195 N -3.65 1.77 -0.76 -3.19 0.00 -1.26 -4.56 107.32 95.68 1f8i s GLY 195 Ca 0.31 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1f8i s GLY 195 CO 0.20 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1f8i n GLY 196 N -3.22 0.30 3.75 0.20 0.00 -1.26 -4.94 105.19 100.03 1f8i n GLY 196 Ca 0.15 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.94 4.72 -0.18 1.61 1.02 -1.26 -4.90 119.74 116.81 1f8i s LYS 197 Ca 0.00 1.67 0.01 0.00 0.02 0.00 0.00 55.97 57.67 1f8i s LYS 197 Cb 0.00 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1f8i s LYS 197 CO 0.00 0.32 -0.18 0.08 -0.92 0.00 0.00 175.35 174.64 1f8i s VAL 198 N -1.06 1.95 0.58 3.17 1.01 -1.26 -3.68 120.40 121.11 1f8i s VAL 198 Ca 0.44 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1f8i s VAL 198 Cb -0.29 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1f8i s VAL 198 CO 0.37 0.49 0.94 -0.76 0.00 0.00 0.00 175.10 176.14 1f8i s LEU 199 N 1.33 3.31 0.35 3.92 1.43 -0.06 -0.16 118.68 128.79 1f8i s LEU 199 Ca 0.04 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 1f8i s LEU 199 Cb -0.13 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 1f8i s LEU 199 CO -0.12 -0.89 0.10 0.27 0.23 0.00 0.00 176.35 175.94 1f8i s ILE 200 N -3.03 2.79 0.52 -0.59 -5.25 -0.70 -1.26 121.20 113.67 1f8i s ILE 200 Ca 0.53 -1.80 -0.22 0.00 -0.99 0.00 0.00 60.65 58.17 1f8i s ILE 200 Cb -0.11 -2.91 -0.07 0.00 2.95 0.00 0.00 42.46 42.32 1f8i s ILE 200 CO 0.49 -0.17 1.14 -2.65 -1.79 0.00 0.00 174.94 171.97 1f8i n PRO 201 N -1.09 1.41 -0.23 0.37 -0.02 -1.26 -4.83 135.00 129.36 1f8i n PRO 201 Ca -0.03 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1f8i n PRO 201 Cb 0.62 -2.30 0.14 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.27 0.64 -0.29 3.45 2.02 -1.95 -0.32 112.91 117.73 1f8i h THR 202 Ca -0.48 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1f8i h THR 202 Cb 1.33 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1f8i h THR 202 CO 0.55 0.06 -0.03 -0.61 0.37 0.00 0.00 175.52 175.87 1f8i h GLN 203 N 0.34 0.45 -0.67 6.66 5.75 -1.99 -2.13 115.11 123.52 1f8i h GLN 203 Ca 0.36 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.68 1f8i h GLN 203 Cb 0.54 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1f8i h GLN 203 CO -0.41 0.50 0.11 0.37 -2.65 0.00 0.00 178.83 176.76 1f8i h GLN 204 N 0.43 1.11 0.00 1.69 4.15 -1.42 -0.80 115.11 120.27 1f8i h GLN 204 Ca 0.09 -0.30 -0.06 0.00 0.77 0.00 0.00 58.65 59.15 1f8i h GLN 204 Cb 0.34 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1f8i h GLN 204 CO 0.01 1.02 -0.29 1.25 -1.93 0.00 0.00 178.83 178.89 1f8i h HIS 205 N 1.04 0.00 -0.08 3.99 2.76 -0.89 -0.79 115.15 121.19 1f8i h HIS 205 Ca 0.20 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 1f8i h HIS 205 Cb 0.44 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1f8i h HIS 205 CO 0.03 0.29 -0.53 0.82 -1.30 0.00 0.00 177.93 177.24 1f8i h ILE 206 N 0.00 1.36 -0.51 6.26 2.04 -0.74 -0.46 117.51 125.47 1f8i h ILE 206 Ca -0.00 -1.81 -0.10 0.00 1.00 0.00 0.00 64.86 63.95 1f8i h ILE 206 Cb 0.73 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1f8i h ILE 206 CO 0.04 0.53 -0.06 0.03 0.00 0.00 0.00 178.15 178.70 1f8i h ARG 207 N 0.17 0.94 -0.13 2.37 3.08 0.12 0.27 114.38 121.19 1f8i h ARG 207 Ca 0.00 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.73 1f8i h ARG 207 Cb 0.99 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1f8i h ARG 207 CO 0.08 0.99 0.06 1.15 -1.07 0.00 0.00 179.97 181.17 1f8i h THR 208 N 0.80 0.99 -0.67 2.04 2.02 -0.76 0.20 112.91 117.53 1f8i h THR 208 Ca 0.14 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1f8i h THR 208 Cb 0.60 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1f8i h THR 208 CO 0.04 0.02 0.34 -0.07 0.37 0.00 0.00 175.52 176.23 1f8i h LEU 209 N 0.13 0.84 -0.42 2.58 3.38 -0.91 -0.15 115.31 120.77 1f8i h LEU 209 Ca 0.06 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1f8i h LEU 209 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1f8i h LEU 209 CO -0.05 0.70 -0.10 0.74 0.09 0.00 0.00 178.44 179.82 1f8i h THR 210 N 0.94 1.27 -0.62 0.22 2.02 -0.37 -1.78 112.91 114.60 1f8i h THR 210 Ca 0.24 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 1f8i h THR 210 Cb 0.06 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1f8i h THR 210 CO -0.03 0.41 0.12 -1.28 0.37 0.00 0.00 175.52 175.10 1f8i h SER 211 N 0.63 0.97 -0.71 4.18 0.87 -0.10 0.69 113.55 120.08 1f8i h SER 211 Ca 0.11 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1f8i h SER 211 Cb 0.63 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1f8i h SER 211 CO 0.04 0.98 0.39 0.00 -0.53 0.00 0.00 176.83 177.71 1f8i h ALA 212 N 1.03 1.31 -0.14 6.23 0.00 -0.89 -0.66 119.26 126.14 1f8i h ALA 212 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1f8i h ALA 212 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1f8i h ALA 212 CO 0.01 0.56 -0.37 -0.09 0.00 0.00 0.00 179.25 179.35 1f8i h ARG 213 N 1.02 0.50 -0.56 0.00 9.65 -0.95 -2.92 114.38 121.12 1f8i h ARG 213 Ca 0.26 -0.35 0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1f8i h ARG 213 Cb 0.04 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.62 1f8i h ARG 213 CO -0.04 0.97 0.27 1.25 2.80 0.00 0.00 179.97 185.21 1f8i h LEU 214 N 0.12 0.36 -0.81 3.80 5.85 -0.48 -0.08 115.31 124.06 1f8i h LEU 214 Ca -0.01 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1f8i h LEU 214 Cb 0.98 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1f8i h LEU 214 CO 0.08 0.24 0.52 0.00 -0.34 0.00 0.00 178.44 178.94 1f8i h ALA 215 N 1.32 1.06 -0.54 1.25 0.00 -1.13 0.71 119.26 121.93 1f8i h ALA 215 Ca 0.26 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1f8i h ALA 215 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1f8i h ALA 215 CO -0.20 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.43 1f8i h ALA 216 N 1.33 0.73 -0.38 0.00 0.00 -1.15 -0.96 119.26 118.83 1f8i h ALA 216 Ca 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1f8i h ALA 216 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1f8i h ALA 216 CO -0.11 0.53 0.08 -0.44 0.00 0.00 0.00 179.25 179.31 1f8i h ASP 217 N 0.82 0.59 -0.18 0.00 3.32 -0.38 0.19 116.42 120.77 1f8i h ASP 217 Ca 0.16 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1f8i h ASP 217 Cb 0.50 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1f8i h ASP 217 CO 0.02 0.68 0.01 0.58 -1.72 0.00 0.00 179.24 178.81 1f8i h VAL 218 N 0.47 1.17 -0.00 -1.35 2.07 -0.80 0.94 116.25 118.75 1f8i h VAL 218 Ca 0.12 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1f8i h VAL 218 Cb 0.33 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1f8i h VAL 218 CO 0.00 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.78 1f8i n ALA 219 N -2.48 2.52 -3.54 1.67 0.00 -0.37 -4.86 120.51 113.44 1f8i n ALA 219 Ca 0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 1f8i n ALA 219 Cb 0.22 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.33 -6.05 -3.93 0.00 2.03 0.57 -4.76 116.55 103.07 1f8i n ASP 220 Ca 0.11 -0.52 -0.15 0.00 0.52 0.00 0.00 54.79 54.76 1f8i n ASP 220 Cb 0.28 -4.82 -0.14 0.00 -0.72 0.00 0.00 41.12 35.72 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 -3.31 0.28 0.00 5.18 -7.23 -0.59 -4.98 120.40 109.75 1f8i s VAL 221 Ca 0.54 -0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 60.51 1f8i s VAL 221 Cb -0.24 -0.24 -0.17 0.00 0.56 0.00 0.00 36.38 36.29 1f8i s VAL 221 CO 0.69 0.07 2.55 -0.81 -0.31 0.00 0.00 175.10 177.30 1f8i n PRO 222 N 2.97 1.33 -1.63 4.82 -0.04 -1.26 -4.39 135.00 136.80 1f8i n PRO 222 Ca -0.13 -0.61 -0.46 0.00 -0.04 0.00 0.00 63.50 62.26 1f8i n PRO 222 Cb 0.59 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.50 1.00 -2.48 0.52 -1.04 -1.26 -4.76 114.28 108.76 1f8i n THR 223 Ca 0.26 -0.25 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 1f8i n THR 223 Cb 0.61 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 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 -0.19 4.28 -0.25 12.58 1.01 -0.55 -4.98 120.40 132.31 1f8i s VAL 224 Ca 0.70 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 64.02 1f8i s VAL 224 Cb -0.74 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 1f8i s VAL 224 CO 0.52 -0.39 0.29 -0.69 0.00 0.00 0.00 175.10 174.82 1f8i s VAL 225 N 3.97 5.25 -0.13 2.92 1.01 -1.26 -1.20 120.40 130.96 1f8i s VAL 225 Ca 0.53 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 1f8i s VAL 225 Cb -0.17 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1f8i s VAL 225 CO 0.19 0.24 -0.09 -0.63 0.00 0.00 0.00 175.10 174.81 1f8i s ILE 226 N 1.58 3.41 -0.19 2.22 1.01 -0.13 -0.57 121.20 128.53 1f8i s ILE 226 Ca 0.13 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1f8i s ILE 226 Cb -0.15 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1f8i s ILE 226 CO 0.08 0.52 0.05 0.00 0.00 0.00 0.00 174.94 175.59 1f8i s ALA 227 N 0.24 3.31 -0.04 9.38 0.00 -0.03 -1.03 121.76 133.59 1f8i s ALA 227 Ca -0.06 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1f8i s ALA 227 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1f8i s ALA 227 CO 0.04 0.06 -0.23 0.50 0.00 0.00 0.00 175.76 176.14 1f8i s ARG 228 N 0.60 2.34 -0.04 0.00 3.52 0.59 -0.11 118.95 125.85 1f8i s ARG 228 Ca 0.02 -0.86 0.06 0.00 -0.13 0.00 0.00 55.73 54.83 1f8i s ARG 228 Cb -0.13 -2.17 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 1f8i s ARG 228 CO 0.02 0.53 -0.24 -0.08 -0.81 0.00 0.00 175.30 174.71 1f8i s THR 229 N -0.52 1.95 -0.48 4.11 -1.32 -0.55 -2.43 115.64 116.41 1f8i s THR 229 Ca 0.07 -1.02 0.15 0.00 -1.21 0.00 0.00 61.69 59.68 1f8i s THR 229 Cb -0.11 -1.64 0.56 0.00 -1.51 0.00 0.00 72.50 69.80 1f8i s THR 229 CO 0.01 0.55 1.47 0.47 -2.21 0.00 0.00 174.62 174.90 1f8i n ASP 230 N 2.80 4.12 0.00 8.08 8.00 -1.26 -2.56 116.55 135.72 1f8i n ASP 230 Ca -0.17 -2.72 0.05 0.00 0.71 0.00 0.00 54.79 52.66 1f8i n ASP 230 Cb 0.52 -0.51 0.27 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.11 1.67 -0.09 2.24 0.00 -1.26 -2.34 120.51 120.84 1f8i n ALA 231 Ca 0.21 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1f8i n ALA 231 Cb 0.85 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 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 0.66 0.00 0.00 4.22 -1.79 -2.57 114.58 115.09 1f8i h GLU 232 Ca 0.00 -0.35 -0.06 0.00 0.08 0.00 0.00 59.36 59.03 1f8i h GLU 232 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1f8i h GLU 232 CO 0.00 0.95 -1.50 0.00 -2.18 0.00 0.00 179.01 176.28 1f8i n ALA 233 N -2.48 2.15 -1.79 2.92 0.00 -1.18 -2.03 120.51 118.10 1f8i n ALA 233 Ca -0.04 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1f8i n ALA 233 Cb 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.51 3.85 -0.39 0.00 0.00 -0.99 -4.89 121.76 116.83 1f8i s ALA 234 Ca -0.04 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.52 1f8i s ALA 234 Cb 0.05 -3.66 0.22 0.00 0.00 0.00 0.00 23.12 19.72 1f8i s ALA 234 CO 0.39 -0.89 1.17 0.25 0.00 0.00 0.00 175.76 176.67 1f8i n THR 235 N 3.51 1.26 -4.16 0.00 -2.24 -1.26 -4.10 114.28 107.30 1f8i n THR 235 Ca 0.13 -1.25 -0.16 0.00 -2.27 0.00 0.00 64.05 60.50 1f8i n THR 235 Cb 0.37 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.44 2.32 -0.07 3.22 1.43 -1.24 -1.10 118.68 121.80 1f8i s LEU 236 Ca 0.18 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1f8i s LEU 236 Cb 0.12 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.96 1f8i s LEU 236 CO 0.07 -0.16 0.22 -0.51 0.23 0.00 0.00 176.35 176.21 1f8i s ILE 237 N -1.69 0.02 0.38 -0.59 2.07 -0.24 -0.88 121.20 120.26 1f8i s ILE 237 Ca -0.00 -0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.18 1f8i s ILE 237 Cb -0.08 -0.36 0.17 0.00 0.13 0.00 0.00 42.46 42.33 1f8i s ILE 237 CO 0.01 -0.08 1.93 0.71 -1.91 0.00 0.00 174.94 175.61 1f8i h THR 238 N 4.64 1.17 -3.28 4.00 1.35 -1.49 0.03 112.91 119.33 1f8i h THR 238 Ca -0.27 -0.69 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 1f8i h THR 238 Cb 1.19 1.08 -0.14 0.00 -1.73 0.00 0.00 68.15 68.56 1f8i h THR 238 CO 0.37 0.23 -0.05 -0.55 -0.25 0.00 0.00 175.52 175.27 1f8i s SER 239 N -6.84 -0.28 -0.15 5.36 0.15 -1.26 -4.66 113.70 106.02 1f8i s SER 239 Ca -0.06 -0.22 0.16 0.00 0.70 0.00 0.00 55.95 56.52 1f8i s SER 239 Cb 0.16 0.48 0.56 0.00 -1.71 0.00 0.00 66.02 65.50 1f8i s SER 239 CO 0.74 -0.83 1.47 -0.90 1.20 0.00 0.00 173.24 174.92 1f8i n ASP 240 N -0.10 4.10 -0.34 5.45 5.75 -1.26 -4.67 116.55 125.48 1f8i n ASP 240 Ca -0.17 -2.79 -0.00 0.00 -0.01 0.00 0.00 54.79 51.83 1f8i n ASP 240 Cb 0.63 -0.52 0.13 0.00 -1.03 0.00 0.00 41.12 40.33 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 2.39 1.13 -3.24 2.12 3.04 -2.00 -3.43 116.25 116.26 1f8i h VAL 241 Ca 0.00 -0.39 -0.56 0.00 -1.01 0.00 0.00 66.70 64.74 1f8i h VAL 241 Cb 1.41 -0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.55 1f8i h VAL 241 CO 0.23 0.21 0.59 -0.62 -1.01 0.00 0.00 177.57 176.96 1f8i s ASP 242 N -5.90 7.21 0.61 3.17 -1.08 -1.26 -4.93 116.67 114.48 1f8i s ASP 242 Ca -0.13 1.49 0.36 0.00 -0.52 0.00 0.00 52.55 53.75 1f8i s ASP 242 Cb 0.18 -2.55 1.99 0.00 -1.46 0.00 0.00 42.92 41.09 1f8i s ASP 242 CO 0.80 -0.48 2.26 -0.33 0.52 0.00 0.00 175.17 177.95 1f8i h GLU 243 N 7.16 0.00 0.00 4.34 5.08 -2.01 -0.93 114.58 128.22 1f8i h GLU 243 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1f8i h GLU 243 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1f8i h GLU 243 CO 0.87 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.90 1f8i h ARG 244 N 0.00 0.00 0.00 2.33 3.08 -1.96 -3.28 114.38 114.56 1f8i h ARG 244 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1f8i h ARG 244 Cb 0.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1f8i h ARG 244 CO 0.00 0.00 -2.04 -0.25 -1.07 0.00 0.00 179.97 176.61 1f8i n ASP 245 N -2.98 0.32 -0.31 7.04 8.00 -0.39 -4.49 116.55 123.74 1f8i n ASP 245 Ca 0.03 0.15 0.23 0.00 0.71 0.00 0.00 54.79 55.91 1f8i n ASP 245 Cb 0.45 0.76 0.53 0.00 -0.02 0.00 0.00 41.12 42.83 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 0.36 -0.25 -1.24 4.20 -1.51 -0.85 115.11 115.82 1f8i h GLN 246 Ca -0.37 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.39 1f8i h GLN 246 Cb 1.95 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 1f8i h GLN 246 CO 0.04 0.24 0.22 -1.35 -0.67 0.00 0.00 178.83 177.30 1f8i h PRO 247 N 0.37 0.00 0.00 1.46 0.11 -1.79 -1.86 132.00 130.29 1f8i h PRO 247 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1f8i h PRO 247 Cb 1.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.59 1f8i h PRO 247 CO -0.25 0.00 -0.99 1.19 -0.21 0.00 0.00 178.00 177.74 1f8i n PHE 248 N -4.09 0.04 -2.36 0.65 3.72 -0.33 -4.91 117.46 110.17 1f8i n PHE 248 Ca 0.03 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1f8i n PHE 248 Cb 0.36 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -3.07 3.98 -1.18 4.37 -1.09 -0.70 -0.80 121.20 122.71 1f8i s ILE 249 Ca 0.07 1.36 0.27 0.00 -2.23 0.00 0.00 60.65 60.11 1f8i s ILE 249 Cb 0.16 -3.87 0.16 0.00 -1.58 0.00 0.00 42.46 37.33 1f8i s ILE 249 CO 0.83 0.02 1.63 0.35 -1.23 0.00 0.00 174.94 176.54 1f8i n THR 250 N 4.50 0.00 0.00 2.92 -2.24 -0.79 -4.95 114.28 113.72 1f8i n THR 250 Ca 0.11 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1f8i n THR 250 Cb 0.45 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1f8i n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f8i n GLY 251 N 1.45 3.19 3.78 3.38 0.00 -1.26 -5.03 105.19 110.69 1f8i n GLY 251 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.47 4.19 0.10 1.61 2.02 -1.26 -4.92 118.70 119.96 1f8i s GLU 252 Ca 0.00 1.62 0.09 0.00 0.02 0.00 0.00 54.97 56.70 1f8i s GLU 252 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1f8i s GLU 252 CO 0.00 -0.14 -0.22 1.03 0.02 0.00 0.00 175.26 175.95 1f8i s ARG 253 N -2.32 1.24 0.74 1.61 1.81 -1.26 -0.85 118.95 119.92 1f8i s ARG 253 Ca 0.56 -1.16 -0.02 0.00 -1.72 0.00 0.00 55.73 53.39 1f8i s ARG 253 Cb -0.25 -1.52 0.14 0.00 -0.45 0.00 0.00 34.95 32.86 1f8i s ARG 253 CO 0.32 0.36 1.03 0.95 -0.68 0.00 0.00 175.30 177.27 1f8i s THR 254 N -1.07 2.11 0.32 0.02 -4.23 0.12 -4.94 115.64 107.97 1f8i s THR 254 Ca 0.08 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1f8i s THR 254 Cb -0.10 -2.57 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1f8i s THR 254 CO 0.04 0.00 1.82 0.03 -0.54 0.00 0.00 174.62 175.97 1f8i h ARG 255 N -0.63 0.49 0.00 3.99 3.08 -2.01 -2.29 114.38 117.00 1f8i h ARG 255 Ca -0.37 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1f8i h ARG 255 Cb 1.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1f8i h ARG 255 CO 0.40 0.59 0.00 0.39 -1.07 0.00 0.00 179.97 180.28 1f8i n GLU 256 N -4.22 0.18 0.00 0.04 4.71 -1.26 -4.88 120.64 115.21 1f8i n GLU 256 Ca 0.01 0.34 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 1f8i n GLU 256 Cb 0.31 -1.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 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 0.36 0.89 3.84 0.62 0.00 -0.86 -5.09 105.19 104.94 1f8i n GLY 257 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.40 -0.17 1.61 0.08 -1.26 -4.76 117.98 114.88 1f8i s PHE 258 Ca 0.00 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.47 1f8i s PHE 258 Cb 0.00 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 1f8i s PHE 258 CO 0.00 -0.35 0.10 0.71 -0.10 0.00 0.00 175.22 175.57 1f8i s TYR 259 N -2.52 3.36 0.38 0.36 1.51 -0.01 -0.70 117.35 119.74 1f8i s TYR 259 Ca 0.60 0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 56.65 1f8i s TYR 259 Cb -0.10 -2.06 -0.09 0.00 -0.11 0.00 0.00 41.96 39.60 1f8i s TYR 259 CO 0.28 0.33 1.21 1.03 -1.11 0.00 0.00 175.55 177.29 1f8i s ARG 260 N 0.01 4.14 -0.04 -0.62 1.81 -0.03 -1.08 118.95 123.14 1f8i s ARG 260 Ca 0.08 1.95 -0.05 0.00 -1.72 0.00 0.00 55.73 55.98 1f8i s ARG 260 Cb -0.12 -2.80 0.01 0.00 -0.45 0.00 0.00 34.95 31.59 1f8i s ARG 260 CO 0.00 -0.28 0.14 -0.08 -0.68 0.00 0.00 175.30 174.41 1f8i s THR 261 N -1.32 0.02 -0.26 0.02 -1.32 -0.26 -1.89 115.64 110.62 1f8i s THR 261 Ca 0.55 -0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.57 1f8i s THR 261 Cb -0.33 -0.26 -0.01 0.00 -1.51 0.00 0.00 72.50 70.39 1f8i s THR 261 CO 0.43 -0.09 1.39 -0.54 -2.21 0.00 0.00 174.62 173.60 1f8i s LYS 262 N -0.26 3.91 0.87 7.08 1.02 0.02 -4.37 119.74 128.02 1f8i s LYS 262 Ca -0.03 1.41 -0.11 0.00 0.02 0.00 0.00 55.97 57.25 1f8i s LYS 262 Cb -0.03 -3.91 0.16 0.00 -0.52 0.00 0.00 37.83 33.53 1f8i s LYS 262 CO 0.00 -1.13 1.21 0.54 -0.92 0.00 0.00 175.35 175.05 1f8i s ASN 263 N 3.13 3.66 0.00 2.83 4.22 -1.26 -4.75 114.94 122.76 1f8i s ASN 263 Ca 0.61 0.18 0.00 0.00 -2.14 0.00 0.00 52.86 51.51 1f8i s ASN 263 Cb -0.20 -0.39 0.00 0.00 1.28 0.00 0.00 41.25 41.94 1f8i s ASN 263 CO 0.24 -2.37 0.00 0.61 -2.04 0.00 0.00 177.10 173.54 1f8i n GLY 264 N -3.44 0.86 0.16 0.45 0.00 -0.86 -4.85 105.19 97.50 1f8i n GLY 264 Ca 0.14 -2.07 0.02 0.00 0.00 0.00 0.00 46.02 44.11 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 1.11 -0.21 -0.61 2.10 -1.87 -3.23 117.51 114.80 1f8i h ILE 265 Ca 0.00 -1.93 0.00 0.00 1.08 0.00 0.00 64.86 64.01 1f8i h ILE 265 Cb 0.00 2.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1f8i h ILE 265 CO 0.00 0.50 0.13 -0.08 -1.08 0.00 0.00 178.15 177.62 1f8i h GLU 266 N 0.00 0.28 -0.06 2.19 4.81 -1.95 0.45 114.58 120.30 1f8i h GLU 266 Ca -0.01 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1f8i h GLU 266 Cb 1.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1f8i h GLU 266 CO 0.07 0.21 -0.34 -1.35 -0.73 0.00 0.00 179.01 176.87 1f8i h PRO 267 N 0.27 0.12 -0.49 0.92 0.11 -1.85 -1.83 132.00 129.25 1f8i h PRO 267 Ca 0.08 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 1f8i h PRO 267 Cb -0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1f8i h PRO 267 CO -0.02 0.45 -0.20 0.00 -0.21 0.00 0.00 178.00 178.02 1f8i h ILE 269 N 0.86 1.25 -0.28 0.00 2.04 -0.62 0.94 117.51 121.70 1f8i h ILE 269 Ca 0.11 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1f8i h ILE 269 Cb 0.78 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1f8i h ILE 269 CO 0.07 0.29 0.16 0.00 0.00 0.00 0.00 178.15 178.66 1f8i h ALA 270 N 0.86 0.35 -0.47 1.87 0.00 -1.23 -1.76 119.26 118.87 1f8i h ALA 270 Ca 0.09 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1f8i h ALA 270 Cb 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1f8i h ALA 270 CO 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 179.25 178.99 1f8i h ARG 271 N 0.33 0.87 -0.82 0.00 3.08 -1.10 -2.37 114.38 114.38 1f8i h ARG 271 Ca 0.11 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.88 1f8i h ARG 271 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1f8i h ARG 271 CO -0.06 0.94 0.53 0.00 -1.07 0.00 0.00 179.97 180.32 1f8i h ALA 272 N 0.90 1.07 -0.70 0.04 0.00 -0.62 0.62 119.26 120.57 1f8i h ALA 272 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1f8i h ALA 272 Cb 0.59 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1f8i h ALA 272 CO 0.04 0.38 0.27 0.87 0.00 0.00 0.00 179.25 180.80 1f8i h LYS 273 N 1.05 1.05 -0.38 0.00 1.57 -1.19 0.13 116.57 118.80 1f8i h LYS 273 Ca 0.32 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1f8i h LYS 273 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1f8i h LYS 273 CO -0.10 0.88 -0.07 0.00 -0.57 0.00 0.00 179.45 179.58 1f8i h ALA 274 N 1.12 1.17 0.00 3.86 0.00 -0.80 -3.09 119.26 121.52 1f8i h ALA 274 Ca 0.23 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1f8i h ALA 274 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1f8i h ALA 274 CO -0.02 0.53 -0.88 1.88 0.00 0.00 0.00 179.25 180.76 1f8i h TYR 275 N 0.59 0.00 -0.85 0.00 0.05 -0.53 -3.40 116.97 112.83 1f8i h TYR 275 Ca 0.11 0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.06 1f8i h TYR 275 Cb 0.48 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.06 1f8i h TYR 275 CO 0.02 0.65 -0.22 0.00 -1.05 0.00 0.00 178.16 177.56 1f8i n ALA 276 N -2.31 0.19 0.29 3.88 0.00 0.41 0.27 120.51 123.23 1f8i n ALA 276 Ca -0.02 0.93 0.17 0.00 0.00 0.00 0.00 53.44 54.52 1f8i n ALA 276 Cb 0.82 -0.55 0.84 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.17 0.00 0.11 -1.78 -2.51 132.00 127.66 1f8i h PRO 277 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1f8i h PRO 277 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1f8i h PRO 277 CO -0.87 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.11 1f8i n PHE 278 N -2.74 0.47 -3.77 0.65 3.72 0.14 -1.29 117.46 114.64 1f8i n PHE 278 Ca -0.01 -0.79 -0.17 0.00 -0.05 0.00 0.00 57.45 56.42 1f8i n PHE 278 Cb 0.13 -0.18 -0.17 0.00 -0.94 0.00 0.00 39.48 38.32 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 -2.27 0.20 0.27 4.37 0.00 -0.94 -4.85 121.76 118.53 1f8i s ALA 279 Ca 0.30 0.23 0.14 0.00 0.00 0.00 0.00 51.96 52.63 1f8i s ALA 279 Cb 0.24 -0.40 0.57 0.00 0.00 0.00 0.00 23.12 23.53 1f8i s ALA 279 CO 0.07 -0.24 1.71 -0.44 0.00 0.00 0.00 175.76 176.87 1f8i h ASP 280 N 7.70 0.00 -4.62 0.00 3.32 -1.12 -3.44 116.42 118.25 1f8i h ASP 280 Ca -0.34 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.56 1f8i h ASP 280 Cb 1.12 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 1f8i h ASP 280 CO 0.37 0.47 -0.52 -0.76 -1.72 0.00 0.00 179.24 177.08 1f8i s LEU 281 N -7.56 1.55 -0.07 1.55 1.02 -1.15 -4.18 118.68 109.85 1f8i s LEU 281 Ca -0.01 -0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.12 1f8i s LEU 281 Cb 0.13 0.60 -0.01 0.00 0.02 0.00 0.00 46.19 46.93 1f8i s LEU 281 CO 0.73 -0.27 -0.23 -0.63 0.02 0.00 0.00 176.35 175.97 1f8i s ILE 282 N -0.95 1.89 -0.05 -0.59 1.01 -1.02 -0.85 121.20 120.63 1f8i s ILE 282 Ca -0.10 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1f8i s ILE 282 Cb -0.06 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1f8i s ILE 282 CO 0.01 0.53 -0.12 0.86 0.00 0.00 0.00 174.94 176.21 1f8i s TRP 283 N 0.05 1.40 -0.22 3.97 -0.00 0.84 -1.23 118.94 123.75 1f8i s TRP 283 Ca -0.08 -0.46 -0.02 0.00 -0.00 0.00 0.00 56.10 55.54 1f8i s TRP 283 Cb -0.14 -1.01 0.01 0.00 -0.00 0.00 0.00 33.47 32.33 1f8i s TRP 283 CO 0.05 -0.22 -0.10 1.41 -0.00 0.00 0.00 176.95 178.09 1f8i s MET 284 N 0.46 3.06 0.28 5.86 -2.45 -1.26 -1.48 119.30 123.77 1f8i s MET 284 Ca -0.10 -0.81 -0.29 0.00 -1.25 0.00 0.00 55.69 53.23 1f8i s MET 284 Cb -0.14 -2.87 -0.10 0.00 1.25 0.00 0.00 34.83 32.98 1f8i s MET 284 CO 0.03 -0.27 1.29 -1.21 1.05 0.00 0.00 175.02 175.90 1f8i s GLU 285 N 1.37 4.40 0.14 4.11 0.41 -1.06 -4.83 118.70 123.23 1f8i s GLU 285 Ca 0.03 2.12 0.06 0.00 -0.41 0.00 0.00 54.97 56.78 1f8i s GLU 285 Cb -0.15 -3.13 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 1f8i s GLU 285 CO -0.07 -0.17 -0.14 0.95 -0.49 0.00 0.00 175.26 175.34 1f8i s THR 286 N -0.68 1.39 -1.35 3.63 -4.23 -1.26 -4.52 115.64 108.63 1f8i s THR 286 Ca 0.51 -1.83 0.27 0.00 -1.18 0.00 0.00 61.69 59.47 1f8i s THR 286 Cb -0.38 -1.65 0.26 0.00 1.34 0.00 0.00 72.50 72.07 1f8i s THR 286 CO 0.46 -0.47 1.71 0.61 -0.54 0.00 0.00 174.62 176.39 1f8i n GLY 287 N 0.32 -1.10 3.42 3.99 0.00 -1.26 -4.90 105.19 105.66 1f8i n GLY 287 Ca -0.14 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.73 0.02 -0.89 2.61 -4.23 -1.26 -4.96 115.64 104.20 1f8i s THR 288 Ca 0.20 -0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 60.29 1f8i s THR 288 Cb 0.19 -0.89 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1f8i s THR 288 CO 0.55 -0.10 1.62 -2.16 -0.54 0.00 0.00 174.62 174.00 1f8i s PRO 289 N -1.49 3.10 -0.26 3.99 0.04 -1.26 -4.93 135.00 134.18 1f8i s PRO 289 Ca -0.10 -0.53 0.02 0.00 0.04 0.00 0.00 61.00 60.42 1f8i s PRO 289 Cb -0.02 -4.98 0.07 0.00 0.04 0.00 0.00 34.50 29.62 1f8i s PRO 289 CO 0.06 -2.62 -0.06 0.34 0.04 0.00 0.00 177.00 174.76 1f8i s ASP 290 N 6.09 4.22 0.45 6.66 -1.08 -1.26 -4.94 116.67 126.82 1f8i s ASP 290 Ca 0.54 -1.41 0.12 0.00 -0.52 0.00 0.00 52.55 51.28 1f8i s ASP 290 Cb -0.05 -1.38 1.03 0.00 -1.46 0.00 0.00 42.92 41.06 1f8i s ASP 290 CO 0.00 -0.24 2.07 -0.07 0.52 0.00 0.00 175.17 177.45 1f8i h LEU 291 N 7.84 0.20 -0.17 -1.34 3.38 -1.98 -0.34 115.31 122.90 1f8i h LEU 291 Ca -0.16 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 1f8i h LEU 291 Cb 1.05 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1f8i h LEU 291 CO 0.45 0.20 -0.65 -0.08 0.09 0.00 0.00 178.44 178.45 1f8i h GLU 292 N 0.22 0.74 -0.44 1.13 4.22 -1.99 -0.40 114.58 118.06 1f8i h GLU 292 Ca 0.06 -0.57 -0.03 0.00 0.08 0.00 0.00 59.36 58.90 1f8i h GLU 292 Cb 0.07 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1f8i h GLU 292 CO -0.00 1.18 0.17 0.00 -2.18 0.00 0.00 179.01 178.18 1f8i h ALA 293 N 0.56 0.57 -0.72 2.92 0.00 -1.87 -0.86 119.26 119.86 1f8i h ALA 293 Ca -0.03 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1f8i h ALA 293 Cb 1.28 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1f8i h ALA 293 CO 0.14 0.19 0.43 0.00 0.00 0.00 0.00 179.25 180.01 1f8i h ALA 294 N 1.01 0.96 -0.62 0.00 0.00 -0.98 -1.36 119.26 118.26 1f8i h ALA 294 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1f8i h ALA 294 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1f8i h ALA 294 CO -0.01 0.16 0.22 -0.09 0.00 0.00 0.00 179.25 179.52 1f8i h ARG 295 N 0.81 0.95 -0.26 0.00 2.43 -0.61 -0.66 114.38 117.05 1f8i h ARG 295 Ca 0.31 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1f8i h ARG 295 Cb 0.12 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1f8i h ARG 295 CO -0.15 0.83 0.07 0.37 -1.51 0.00 0.00 179.97 179.58 1f8i h GLN 296 N 0.88 0.17 -0.06 0.20 4.15 -0.49 -0.22 115.11 119.75 1f8i h GLN 296 Ca 0.20 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1f8i h GLN 296 Cb 0.26 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1f8i h GLN 296 CO -0.01 0.11 0.01 0.35 -1.93 0.00 0.00 178.83 177.36 1f8i h PHE 297 N 0.17 0.10 -0.07 3.99 3.57 -1.09 -2.50 116.94 121.12 1f8i h PHE 297 Ca 0.12 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1f8i h PHE 297 Cb 0.11 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1f8i h PHE 297 CO -0.15 0.31 -0.09 1.03 -2.23 0.00 0.00 178.31 177.18 1f8i h SER 298 N -0.14 -0.28 -0.56 0.41 0.87 -0.90 -1.70 113.55 111.26 1f8i h SER 298 Ca 0.02 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1f8i h SER 298 Cb 0.26 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1f8i h SER 298 CO 0.00 -0.13 0.20 -0.33 -0.53 0.00 0.00 176.83 176.04 1f8i h GLU 299 N -0.13 0.84 -0.59 2.24 5.08 -1.09 0.57 114.58 121.50 1f8i h GLU 299 Ca 0.06 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1f8i h GLU 299 Cb 0.21 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1f8i h GLU 299 CO -0.14 0.75 0.38 0.00 -1.00 0.00 0.00 179.01 178.99 1f8i h ALA 300 N 1.06 0.75 0.08 3.43 0.00 -1.31 -0.44 119.26 122.83 1f8i h ALA 300 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1f8i h ALA 300 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f8i h ALA 300 CO -0.01 0.21 -0.04 0.28 0.00 0.00 0.00 179.25 179.69 1f8i h VAL 301 N 0.80 1.17 0.00 0.00 2.07 -1.11 -3.11 116.25 116.07 1f8i h VAL 301 Ca 0.22 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1f8i h VAL 301 Cb -0.06 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1f8i h VAL 301 CO -0.04 0.24 0.00 0.11 0.02 0.00 0.00 177.57 177.90 1f8i h LYS 302 N -0.56 0.00 -0.65 1.57 1.57 -0.83 -1.28 116.57 116.39 1f8i h LYS 302 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1f8i h LYS 302 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1f8i h LYS 302 CO 0.02 0.00 0.43 0.00 -0.57 0.00 0.00 179.45 179.33 1f8i h ALA 303 N 2.02 1.68 0.00 3.86 0.00 -1.00 -1.58 119.26 124.24 1f8i h ALA 303 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1f8i h ALA 303 Cb 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1f8i h ALA 303 CO 0.00 0.25 -2.10 0.39 0.00 0.00 0.00 179.25 177.79 1f8i n GLU 304 N -4.47 0.83 -3.52 0.00 1.02 -0.81 -4.72 120.64 108.97 1f8i n GLU 304 Ca 0.08 -0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1f8i n GLU 304 Cb 0.16 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 1f8i n GLU 304 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1f8i n TYR 305 N -2.46 0.71 -0.31 -0.32 4.01 -0.55 -5.00 117.16 113.24 1f8i n TYR 305 Ca -0.18 -3.70 0.16 0.00 -0.16 0.00 0.00 57.90 54.02 1f8i n TYR 305 Cb 0.84 -0.13 0.35 0.00 -0.31 0.00 0.00 39.34 40.09 1f8i n TYR 305 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1f8i h PRO 306 N 5.27 0.35 -0.18 -0.72 0.11 -1.55 -1.53 132.00 133.74 1f8i h PRO 306 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1f8i h PRO 306 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1f8i h PRO 306 CO 0.52 0.23 0.00 -0.25 -0.21 0.00 0.00 178.00 178.29 1f8i n ASP 307 N -5.07 1.71 -4.62 -2.05 8.00 -1.26 -4.89 116.55 108.36 1f8i n ASP 307 Ca 0.25 -1.73 -0.43 0.00 0.71 0.00 0.00 54.79 53.59 1f8i n ASP 307 Cb 0.74 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.77 3.69 0.43 -1.24 2.00 -0.58 -4.98 119.66 117.21 1f8i s GLN 308 Ca 0.32 1.63 -0.21 0.00 -2.00 0.00 0.00 55.36 55.10 1f8i s GLN 308 Cb 0.17 -4.08 -0.11 0.00 0.80 0.00 0.00 33.01 29.79 1f8i s GLN 308 CO 0.26 -1.43 0.95 -1.64 -0.50 0.00 0.00 175.29 172.93 1f8i s MET 309 N 4.92 4.23 0.37 1.67 -1.94 -1.26 -4.91 119.30 122.38 1f8i s MET 309 Ca 0.74 1.14 0.08 0.00 -1.71 0.00 0.00 55.69 55.94 1f8i s MET 309 Cb -0.25 -2.21 -0.07 0.00 2.01 0.00 0.00 34.83 34.32 1f8i s MET 309 CO 0.31 -0.03 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.74 1f8i s LEU 310 N -3.14 2.82 0.05 -0.03 1.43 -0.31 -2.44 118.68 117.06 1f8i s LEU 310 Ca 0.62 -1.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1f8i s LEU 310 Cb -0.10 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 1f8i s LEU 310 CO 0.14 -0.32 -0.13 0.00 0.23 0.00 0.00 176.35 176.27 1f8i s ALA 311 N -2.65 1.08 -0.03 4.21 0.00 -0.37 -1.57 121.76 122.44 1f8i s ALA 311 Ca 0.34 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1f8i s ALA 311 Cb 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1f8i s ALA 311 CO 0.17 0.18 -0.07 -0.47 0.00 0.00 0.00 175.76 175.57 1f8i s TYR 312 N -0.98 0.81 -0.54 0.00 6.14 -0.09 -4.25 117.35 118.44 1f8i s TYR 312 Ca -0.01 -0.20 -0.18 0.00 0.64 0.00 0.00 57.07 57.32 1f8i s TYR 312 Cb -0.08 -0.61 0.08 0.00 0.42 0.00 0.00 41.96 41.77 1f8i s TYR 312 CO 0.01 -0.11 0.63 1.21 0.64 0.00 0.00 175.55 177.93 1f8i s ASN 313 N 0.33 6.20 -1.32 4.32 2.47 -1.26 -2.49 114.94 123.19 1f8i s ASN 313 Ca -0.05 -1.22 -0.15 0.00 0.42 0.00 0.00 52.86 51.86 1f8i s ASN 313 Cb -0.09 -2.28 0.09 0.00 -1.45 0.00 0.00 41.25 37.52 1f8i s ASN 313 CO 0.00 -0.96 1.81 0.00 -3.72 0.00 0.00 177.10 174.24 1f8i s SER 315 N 3.36 6.96 0.00 0.00 0.15 -1.26 -4.26 113.70 118.64 1f8i s SER 315 Ca 0.49 2.44 0.25 0.00 0.70 0.00 0.00 55.95 59.83 1f8i s SER 315 Cb 0.06 -2.62 1.51 0.00 -1.71 0.00 0.00 66.02 63.25 1f8i s SER 315 CO 0.02 -0.44 1.89 -2.65 1.20 0.00 0.00 173.24 173.26 1f8i n PRO 316 N 1.82 0.85 -0.02 5.44 -0.02 -1.26 -2.39 135.00 139.42 1f8i n PRO 316 Ca 0.03 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1f8i n PRO 316 Cb 0.43 -1.46 0.58 0.00 -0.02 0.00 0.00 33.50 33.03 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 -0.96 0.57 -4.69 2.55 7.64 -1.26 -4.74 113.62 112.72 1f8i n SER 317 Ca 0.19 -1.42 -0.32 0.00 1.01 0.00 0.00 58.87 58.33 1f8i n SER 317 Cb 0.09 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.95 3.08 -1.06 1.43 0.08 -1.01 -5.03 117.98 113.52 1f8i s PHE 318 Ca 0.34 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.34 1f8i s PHE 318 Cb 0.17 -1.65 0.23 0.00 -0.57 0.00 0.00 43.02 41.19 1f8i s PHE 318 CO 0.27 0.47 1.12 1.21 -0.10 0.00 0.00 175.22 178.19 1f8i s ASN 319 N -1.73 7.08 0.19 1.36 3.04 -1.26 -4.93 114.94 118.68 1f8i s ASN 319 Ca 0.21 -3.10 -0.23 0.00 0.04 0.00 0.00 52.86 49.78 1f8i s ASN 319 Cb -0.12 -2.28 0.11 0.00 -1.54 0.00 0.00 41.25 37.43 1f8i s ASN 319 CO 0.12 -0.54 1.56 -0.50 -3.04 0.00 0.00 177.10 174.70 1f8i h TRP 320 N 7.25 -1.32 0.00 0.43 4.06 -1.94 0.62 115.95 125.05 1f8i h TRP 320 Ca 0.19 0.10 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1f8i h TRP 320 Cb 0.92 0.70 0.00 0.00 -1.00 0.00 0.00 29.16 29.78 1f8i h TRP 320 CO 0.94 -0.40 0.00 1.63 -3.56 0.00 0.00 178.44 177.05 1f8i n LYS 321 N -5.40 0.11 0.14 0.49 5.02 -1.26 -1.09 118.16 116.17 1f8i n LYS 321 Ca 0.06 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 56.85 1f8i n LYS 321 Cb 0.35 -1.72 0.23 0.00 -0.02 0.00 0.00 35.03 33.87 1f8i n LYS 321 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1f8i h LYS 322 N 0.00 0.00 0.00 1.97 3.64 -1.29 -3.37 116.57 117.52 1f8i h LYS 322 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1f8i h LYS 322 Cb 0.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1f8i h LYS 322 CO 0.00 0.00 -1.61 0.72 -2.27 0.00 0.00 179.45 176.29 1f8i n HIS 323 N -2.57 0.00 -4.22 1.91 8.25 -0.62 -5.07 115.22 112.89 1f8i n HIS 323 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1f8i n HIS 323 Cb 0.48 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 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 -4.72 2.51 0.49 2.41 1.43 -0.25 -5.09 118.68 115.47 1f8i s LEU 324 Ca -0.05 -0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 52.03 1f8i s LEU 324 Cb 0.03 -0.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 1f8i s LEU 324 CO 0.35 -0.35 0.76 1.51 0.23 0.00 0.00 176.35 178.85 1f8i s ASP 325 N -3.05 5.88 0.49 2.29 1.47 -1.26 -4.41 116.67 118.07 1f8i s ASP 325 Ca 0.14 0.57 0.19 0.00 1.18 0.00 0.00 52.55 54.64 1f8i s ASP 325 Cb 0.02 -1.78 1.23 0.00 -0.34 0.00 0.00 42.92 42.05 1f8i s ASP 325 CO -0.01 -0.76 2.01 0.44 0.68 0.00 0.00 175.17 177.53 1f8i h ASP 326 N 0.20 0.15 -0.06 2.11 3.32 -1.97 -1.22 116.42 118.95 1f8i h ASP 326 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1f8i h ASP 326 Cb 1.24 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1f8i h ASP 326 CO 0.60 0.09 0.02 0.00 -1.72 0.00 0.00 179.24 178.23 1f8i h ALA 327 N 1.76 0.08 -0.47 3.45 0.00 -1.99 -1.02 119.26 121.07 1f8i h ALA 327 Ca 0.23 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1f8i h ALA 327 Cb 0.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1f8i h ALA 327 CO -0.03 -0.32 0.02 1.15 0.00 0.00 0.00 179.25 180.06 1f8i h THR 328 N -0.09 1.26 -0.77 0.00 2.02 -1.80 -2.54 112.91 111.00 1f8i h THR 328 Ca 0.02 -1.03 0.08 0.00 0.77 0.00 0.00 66.41 66.25 1f8i h THR 328 Cb 0.21 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1f8i h THR 328 CO -0.00 0.36 0.43 0.40 0.37 0.00 0.00 175.52 177.07 1f8i h ILE 329 N 0.67 0.92 -0.20 3.11 2.04 -1.16 0.42 117.51 123.31 1f8i h ILE 329 Ca 0.13 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1f8i h ILE 329 Cb 0.48 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1f8i h ILE 329 CO 0.02 0.13 -0.23 0.00 0.00 0.00 0.00 178.15 178.07 1f8i h ALA 330 N 1.42 1.24 -0.01 1.87 0.00 -0.92 -3.06 119.26 119.80 1f8i h ALA 330 Ca 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1f8i h ALA 330 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1f8i h ALA 330 CO -0.23 0.50 -0.59 0.36 0.00 0.00 0.00 179.25 179.28 1f8i n LYS 331 N -4.15 0.86 -0.28 0.00 2.85 -0.79 -4.70 118.16 111.94 1f8i n LYS 331 Ca -0.01 -0.69 -0.07 0.00 -1.05 0.00 0.00 58.31 56.49 1f8i n LYS 331 Cb 0.37 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.20 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 -0.47 -0.30 -0.20 5.58 7.35 0.14 -0.94 117.46 128.62 1f8i n PHE 332 Ca 0.08 0.85 -0.07 0.00 -0.76 0.00 0.00 57.45 57.54 1f8i n PHE 332 Cb 0.42 -0.55 0.03 0.00 0.35 0.00 0.00 39.48 39.73 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 0.85 -0.87 -4.13 4.20 -1.84 -1.59 115.11 111.73 1f8i h GLN 333 Ca 0.11 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1f8i h GLN 333 Cb 0.28 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1f8i h GLN 333 CO -0.64 0.71 0.57 -0.22 -0.67 0.00 0.00 178.83 178.58 1f8i h LYS 334 N 0.79 1.01 0.04 1.46 3.64 -1.71 -0.27 116.57 121.52 1f8i h LYS 334 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1f8i h LYS 334 Cb 0.16 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1f8i h LYS 334 CO -0.02 0.67 -0.02 0.93 -2.27 0.00 0.00 179.45 178.74 1f8i h GLU 335 N 1.04 -0.05 -0.98 1.90 4.39 -0.68 -2.48 114.58 117.72 1f8i h GLU 335 Ca 0.36 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.17 1f8i h GLU 335 Cb 0.10 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 1f8i h GLU 335 CO -0.12 0.26 0.61 -0.07 -1.16 0.00 0.00 179.01 178.53 1f8i h LEU 336 N -0.36 0.90 -0.49 1.33 3.38 -0.79 -1.15 115.31 118.13 1f8i h LEU 336 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1f8i h LEU 336 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1f8i h LEU 336 CO 0.01 0.50 0.31 0.00 0.09 0.00 0.00 178.44 179.34 1f8i h ALA 337 N 1.51 0.62 0.00 1.53 0.00 -0.93 -0.61 119.26 121.37 1f8i h ALA 337 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1f8i h ALA 337 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1f8i h ALA 337 CO -0.25 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.12 1f8i h ALA 338 N 1.16 1.03 -0.53 0.00 0.00 -0.75 -1.29 119.26 118.88 1f8i h ALA 338 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f8i h ALA 338 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1f8i h ALA 338 CO -0.04 -0.03 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 1f8i n MET 339 N -3.06 3.90 -0.13 0.00 2.00 -0.32 -4.94 117.12 114.57 1f8i n MET 339 Ca -0.03 -2.91 0.00 0.00 0.00 0.00 0.00 57.70 54.76 1f8i n MET 339 Cb 0.10 -1.96 0.00 0.00 0.00 0.00 0.00 33.22 31.36 1f8i n MET 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1f8i n GLY 340 N 0.62 0.58 3.50 3.03 0.00 -0.48 -4.85 105.19 107.58 1f8i n GLY 340 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.31 2.83 -1.46 1.61 0.08 -0.68 -1.17 117.98 116.88 1f8i s PHE 341 Ca 0.00 -1.12 0.27 0.00 0.12 0.00 0.00 56.93 56.21 1f8i s PHE 341 Cb 0.00 -4.48 0.92 0.00 -0.57 0.00 0.00 43.02 38.89 1f8i s PHE 341 CO 0.00 -1.71 1.68 1.63 -0.10 0.00 0.00 175.22 176.72 1f8i n LYS 342 N 7.68 0.50 -3.75 0.44 4.76 -0.61 -3.74 118.16 123.45 1f8i n LYS 342 Ca 0.28 -0.23 -0.27 0.00 -2.87 0.00 0.00 58.31 55.22 1f8i n LYS 342 Cb 0.50 -1.50 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.66 1.02 0.03 2.13 5.36 -1.17 -0.24 117.98 122.45 1f8i s PHE 343 Ca 0.22 -0.78 0.08 0.00 -0.96 0.00 0.00 56.93 55.49 1f8i s PHE 343 Cb 0.19 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 1f8i s PHE 343 CO 0.54 -0.57 -0.23 -0.65 -1.46 0.00 0.00 175.22 172.85 1f8i s GLN 344 N 1.86 1.64 -0.05 10.12 -0.21 -0.11 -0.91 119.66 132.00 1f8i s GLN 344 Ca -0.00 -0.96 -0.21 0.00 0.02 0.00 0.00 55.36 54.21 1f8i s GLN 344 Cb -0.16 -1.73 0.04 0.00 1.00 0.00 0.00 33.01 32.16 1f8i s GLN 344 CO -0.08 0.45 0.46 -0.59 -2.12 0.00 0.00 175.29 173.42 1f8i s PHE 345 N -0.73 -0.39 -0.56 0.91 -0.71 -1.04 -0.92 117.98 114.55 1f8i s PHE 345 Ca 0.09 0.69 -0.13 0.00 -1.04 0.00 0.00 56.93 56.54 1f8i s PHE 345 Cb -0.09 0.22 0.14 0.00 -1.21 0.00 0.00 43.02 42.08 1f8i s PHE 345 CO 0.01 -0.45 0.49 0.42 -1.34 0.00 0.00 175.22 174.35 1f8i s ILE 346 N -1.09 4.88 0.17 -4.49 1.01 -0.84 -1.20 121.20 119.64 1f8i s ILE 346 Ca -0.11 -1.80 -0.25 0.00 0.00 0.00 0.00 60.65 58.49 1f8i s ILE 346 Cb -0.03 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.36 1f8i s ILE 346 CO 0.06 -0.86 1.57 0.71 0.00 0.00 0.00 174.94 176.41 1f8i h THR 347 N 5.78 0.08 -0.89 2.92 1.35 -1.89 -1.61 112.91 118.66 1f8i h THR 347 Ca -0.20 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.17 1f8i h THR 347 Cb 1.08 0.08 -0.27 0.00 -1.73 0.00 0.00 68.15 67.31 1f8i h THR 347 CO 0.93 0.00 0.62 0.18 -0.25 0.00 0.00 175.52 176.99 1f8i n LEU 348 N -5.41 6.52 -0.19 3.87 4.77 -1.26 -3.84 117.00 121.46 1f8i n LEU 348 Ca 0.03 -3.49 -0.08 0.00 -0.03 0.00 0.00 56.01 52.44 1f8i n LEU 348 Cb 0.35 -0.83 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1f8i n LEU 348 CO -0.03 1.06 1.01 0.00 -1.33 0.00 0.00 177.39 178.10 1f8i h ALA 349 N 1.25 0.70 -0.15 -1.18 0.00 -1.73 -2.52 119.26 115.63 1f8i h ALA 349 Ca 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1f8i h ALA 349 Cb 2.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 1f8i h ALA 349 CO 1.06 0.26 0.05 0.78 0.00 0.00 0.00 179.25 181.40 1f8i h GLY 350 N 0.73 0.24 0.44 0.00 0.00 -1.65 -0.27 103.07 102.55 1f8i h GLY 350 Ca 0.19 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.46 1f8i h GLY 350 CO -0.02 0.13 0.17 -2.75 0.00 0.00 0.00 176.54 174.06 1f8i h PHE 351 N 0.07 0.29 -0.10 5.60 3.57 -1.83 -0.77 116.94 123.78 1f8i h PHE 351 Ca 0.05 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1f8i h PHE 351 Cb 0.19 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1f8i h PHE 351 CO -0.01 0.07 -0.23 0.45 -2.23 0.00 0.00 178.31 176.36 1f8i h HIS 352 N 0.34 0.41 -0.61 0.41 3.86 -1.33 -0.99 115.15 117.24 1f8i h HIS 352 Ca 0.26 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1f8i h HIS 352 Cb 0.31 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1f8i h HIS 352 CO -0.18 0.84 0.35 0.00 0.86 0.00 0.00 177.93 179.80 1f8i h ALA 353 N 0.50 0.80 -0.00 2.45 0.00 -0.89 0.56 119.26 122.68 1f8i h ALA 353 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f8i h ALA 353 Cb 0.83 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1f8i h ALA 353 CO 0.05 0.05 -0.00 1.25 0.00 0.00 0.00 179.25 180.60 1f8i h LEU 354 N 0.67 0.00 -0.63 0.00 6.46 -1.15 -1.08 115.31 119.58 1f8i h LEU 354 Ca 0.26 -0.36 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1f8i h LEU 354 Cb 0.11 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1f8i h LEU 354 CO -0.14 0.36 0.05 0.78 -0.62 0.00 0.00 178.44 178.87 1f8i h ASN 355 N -0.36 1.05 -0.02 1.25 2.35 -1.06 -2.46 115.58 116.33 1f8i h ASN 355 Ca 0.00 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1f8i h ASN 355 Cb 0.36 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1f8i h ASN 355 CO 0.00 1.07 -0.05 0.22 -1.65 0.00 0.00 177.43 177.02 1f8i h TYR 356 N 0.99 0.09 -0.82 1.19 3.20 -0.92 -2.09 116.97 118.61 1f8i h TYR 356 Ca 0.19 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.12 1f8i h TYR 356 Cb 0.50 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 1f8i h TYR 356 CO 0.04 0.63 0.53 0.66 -1.64 0.00 0.00 178.16 178.37 1f8i h SER 357 N -0.48 0.68 0.32 -2.11 4.64 -1.22 -0.20 113.55 115.20 1f8i h SER 357 Ca 0.00 0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 61.05 1f8i h SER 357 Cb 0.62 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1f8i h SER 357 CO 0.01 0.40 -1.26 -0.03 -0.87 0.00 0.00 176.83 175.08 1f8i h MET 358 N 0.76 0.48 -0.11 4.77 1.85 -1.46 -2.45 114.93 118.77 1f8i h MET 358 Ca 0.38 -0.71 -0.00 0.00 -0.61 0.00 0.00 59.70 58.76 1f8i h MET 358 Cb 0.45 0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.72 1f8i h MET 358 CO -0.15 1.32 0.06 0.35 -0.40 0.00 0.00 176.91 178.09 1f8i h PHE 359 N 0.19 0.15 -0.39 1.39 3.57 -0.91 0.17 116.94 121.11 1f8i h PHE 359 Ca -0.18 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.38 1f8i h PHE 359 Cb 1.95 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.59 1f8i h PHE 359 CO 0.10 0.16 0.11 0.22 -2.23 0.00 0.00 178.31 176.66 1f8i h ASP 360 N 0.10 0.08 -0.09 0.41 3.58 -1.10 0.41 116.42 119.82 1f8i h ASP 360 Ca 0.04 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1f8i h ASP 360 Cb 0.05 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1f8i h ASP 360 CO -0.01 0.08 -0.01 0.25 -2.88 0.00 0.00 179.24 176.67 1f8i h LEU 361 N 0.25 0.16 -0.42 2.28 5.85 -1.28 -2.08 115.31 120.07 1f8i h LEU 361 Ca 0.18 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1f8i h LEU 361 Cb 0.19 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1f8i h LEU 361 CO -0.21 0.47 0.22 0.00 -0.34 0.00 0.00 178.44 178.58 1f8i h ALA 362 N 0.69 0.53 0.17 1.25 0.00 -0.37 0.34 119.26 121.87 1f8i h ALA 362 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1f8i h ALA 362 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1f8i h ALA 362 CO 0.01 -0.13 -0.20 -0.92 0.00 0.00 0.00 179.25 178.01 1f8i h TYR 363 N 0.44 -0.52 -0.55 0.00 3.20 -0.17 0.30 116.97 119.66 1f8i h TYR 363 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1f8i h TYR 363 Cb 0.07 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1f8i h TYR 363 CO -0.09 -0.29 0.26 0.78 -1.64 0.00 0.00 178.16 177.18 1f8i h GLY 364 N -0.41 0.83 1.27 1.82 0.00 -1.02 -2.43 103.07 103.13 1f8i h GLY 364 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1f8i h GLY 364 CO -0.07 0.37 -0.05 -1.82 0.00 0.00 0.00 176.54 174.96 1f8i h TYR 365 N 0.78 0.94 0.00 5.60 3.20 0.18 0.21 116.97 127.88 1f8i h TYR 365 Ca 0.19 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1f8i h TYR 365 Cb 0.08 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1f8i h TYR 365 CO 0.01 0.88 0.00 0.00 -1.64 0.00 0.00 178.16 177.41 1f8i h ALA 366 N 1.14 1.00 0.00 1.82 0.00 -0.46 0.22 119.26 122.99 1f8i h ALA 366 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.66 1f8i h ALA 366 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1f8i h ALA 366 CO 0.03 0.00 -2.32 1.04 0.00 0.00 0.00 179.25 178.00 1f8i n GLN 367 N -2.66 0.52 -0.08 0.00 1.13 -0.89 -4.76 117.38 110.65 1f8i n GLN 367 Ca 0.01 0.20 0.10 0.00 -1.94 0.00 0.00 57.00 55.37 1f8i n GLN 367 Cb 0.24 -1.38 0.14 0.00 0.11 0.00 0.00 30.24 29.36 1f8i n GLN 367 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1f8i n ASN 368 N -3.84 2.37 0.00 1.08 5.03 0.67 -5.08 115.26 115.50 1f8i n ASN 368 Ca -0.45 -3.07 0.00 0.00 0.87 0.00 0.00 54.58 51.92 1f8i n ASN 368 Cb 0.86 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 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 -1.41 0.00 -0.10 3.52 3.00 0.77 -1.49 117.38 121.68 1f8i n GLN 369 Ca 0.16 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.30 1f8i n GLN 369 Cb 0.64 0.00 0.54 0.00 0.00 0.00 0.00 30.24 31.42 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 -0.51 -1.09 2.86 -1.93 -2.29 114.93 112.29 1f8i h MET 370 Ca 0.00 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1f8i h MET 370 Cb 0.00 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 1f8i h MET 370 CO 0.00 0.22 0.18 0.77 1.06 0.00 0.00 176.91 179.14 1f8i h SER 371 N 0.34 0.19 -0.63 1.22 0.02 -1.64 -0.66 113.55 112.39 1f8i h SER 371 Ca 0.31 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.40 1f8i h SER 371 Cb 0.76 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.28 1f8i h SER 371 CO -0.08 0.13 0.29 0.00 -1.14 0.00 0.00 176.83 176.04 1f8i h ALA 372 N 1.34 0.83 -0.36 3.77 0.00 -1.51 -2.35 119.26 120.98 1f8i h ALA 372 Ca 0.25 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1f8i h ALA 372 Cb 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1f8i h ALA 372 CO -0.25 -0.09 -0.39 -0.92 0.00 0.00 0.00 179.25 177.60 1f8i h TYR 373 N 0.53 1.04 -0.68 0.00 3.20 -1.42 -3.00 116.97 116.65 1f8i h TYR 373 Ca 0.30 -0.31 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1f8i h TYR 373 Cb 0.29 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1f8i h TYR 373 CO -0.12 1.12 0.45 0.28 -1.64 0.00 0.00 178.16 178.25 1f8i h VAL 374 N 0.71 1.00 -0.67 1.81 2.07 -0.70 -0.74 116.25 119.74 1f8i h VAL 374 Ca 0.06 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1f8i h VAL 374 Cb 0.97 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1f8i h VAL 374 CO 0.09 0.12 0.41 -0.33 0.02 0.00 0.00 177.57 177.89 1f8i h GLU 375 N 0.68 0.90 0.13 1.57 5.08 -1.29 -1.18 114.58 120.47 1f8i h GLU 375 Ca 0.30 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1f8i h GLU 375 Cb 0.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1f8i h GLU 375 CO -0.09 0.63 -0.06 1.25 -1.00 0.00 0.00 179.01 179.74 1f8i h LEU 376 N 0.91 -0.15 -0.65 1.33 5.85 -1.18 -1.97 115.31 119.46 1f8i h LEU 376 Ca 0.24 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1f8i h LEU 376 Cb -0.05 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1f8i h LEU 376 CO -0.05 0.02 0.26 -0.61 -0.34 0.00 0.00 178.44 177.73 1f8i h GLN 377 N -0.32 0.44 -0.74 1.25 4.15 -1.11 0.03 115.11 118.82 1f8i h GLN 377 Ca -0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1f8i h GLN 377 Cb 0.25 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1f8i h GLN 377 CO 0.03 0.29 0.45 0.93 -1.93 0.00 0.00 178.83 178.59 1f8i h GLU 378 N 0.45 1.00 -0.49 1.69 4.39 -1.10 0.12 114.58 120.64 1f8i h GLU 378 Ca 0.33 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1f8i h GLU 378 Cb 0.41 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1f8i h GLU 378 CO -0.31 0.70 0.27 0.00 -1.16 0.00 0.00 179.01 178.51 1f8i h ARG 379 N 1.00 0.67 -0.18 2.33 3.08 -0.38 -0.23 114.38 120.68 1f8i h ARG 379 Ca 0.26 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1f8i h ARG 379 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1f8i h ARG 379 CO -0.05 0.49 -0.02 0.93 -1.07 0.00 0.00 179.97 180.26 1f8i h GLU 380 N 0.68 0.32 -0.62 0.04 5.08 0.41 0.13 114.58 120.63 1f8i h GLU 380 Ca 0.18 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1f8i h GLU 380 Cb 0.02 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1f8i h GLU 380 CO -0.03 0.56 0.38 0.74 -1.00 0.00 0.00 179.01 179.66 1f8i h PHE 381 N 0.06 0.72 -0.33 4.33 0.04 -0.62 -2.03 116.94 119.11 1f8i h PHE 381 Ca 0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1f8i h PHE 381 Cb 0.42 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1f8i h PHE 381 CO 0.04 0.42 0.20 0.00 -0.60 0.00 0.00 178.31 178.36 1f8i h ALA 382 N 1.26 0.41 0.00 2.45 0.00 -0.88 -1.75 119.26 120.75 1f8i h ALA 382 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1f8i h ALA 382 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1f8i h ALA 382 CO -0.09 -0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.04 1f8i n ALA 383 N -2.21 0.96 0.25 0.00 0.00 0.02 -2.39 120.51 117.14 1f8i n ALA 383 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1f8i n ALA 383 Cb 0.05 -1.11 0.63 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.06 -0.82 114.58 117.79 1f8i h GLU 384 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1f8i h GLU 384 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1f8i h GLU 384 CO 0.00 0.09 -0.20 1.05 -1.00 0.00 0.00 179.01 178.95 1f8i h GLU 385 N 0.00 0.00 -0.00 2.33 4.11 -1.67 -2.24 114.58 117.11 1f8i h GLU 385 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1f8i h GLU 385 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1f8i h GLU 385 CO 0.01 0.20 -0.20 0.54 0.07 0.00 0.00 179.01 179.63 1f8i n ARG 386 N -3.36 0.18 0.00 1.06 1.74 -0.36 -4.91 116.66 111.02 1f8i n ARG 386 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1f8i n ARG 386 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.37 3.66 -0.13 0.00 -0.84 -5.02 105.19 105.67 1f8i n GLY 387 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.14 1.66 0.00 1.61 9.36 -0.92 -4.93 117.16 123.81 1f8i n TYR 388 Ca 0.00 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1f8i n TYR 388 Cb 0.00 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.41 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 -0.58 0.00 0.48 2.97 -2.24 -1.26 -4.36 114.28 109.28 1f8i n THR 389 Ca 0.09 -0.08 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1f8i n THR 389 Cb 0.41 0.89 0.26 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.19 1.63 -0.35 6.98 0.00 -1.26 -2.76 120.51 124.55 1f8i n ALA 390 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1f8i n ALA 390 Cb 0.00 -1.17 0.20 0.00 0.00 0.00 0.00 19.45 18.48 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 1.06 -3.13 0.00 2.02 -1.89 -2.69 112.91 108.28 1f8i h THR 391 Ca 0.00 -0.38 -0.78 0.00 0.77 0.00 0.00 66.41 66.02 1f8i h THR 391 Cb 0.11 -0.15 -0.25 0.00 -1.74 0.00 0.00 68.15 66.13 1f8i h THR 391 CO 0.00 0.20 0.73 -0.54 0.37 0.00 0.00 175.52 176.28 1f8i s LYS 392 N -5.99 4.16 0.53 6.66 1.02 -1.11 -4.88 119.74 120.13 1f8i s LYS 392 Ca -0.12 -3.02 0.19 0.00 0.02 0.00 0.00 55.97 53.04 1f8i s LYS 392 Cb 0.20 -4.71 1.33 0.00 -0.52 0.00 0.00 37.83 34.13 1f8i s LYS 392 CO 0.81 -1.41 2.13 1.12 -0.92 0.00 0.00 175.35 177.08 1f8i h HIS 393 N 6.83 0.00 0.53 3.18 2.07 -1.73 -2.62 115.15 123.41 1f8i h HIS 393 Ca 0.22 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.71 1f8i h HIS 393 Cb 0.88 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.86 1f8i h HIS 393 CO 0.87 0.00 -0.25 1.96 -3.07 0.00 0.00 177.93 177.43 1f8i h GLN 394 N 0.00 -0.68 -0.14 5.12 1.08 -1.89 -1.63 115.11 116.96 1f8i h GLN 394 Ca 0.04 0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 1f8i h GLN 394 Cb 0.18 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1f8i h GLN 394 CO -0.00 -0.42 -0.34 0.07 -0.95 0.00 0.00 178.83 177.18 1f8i h ARG 395 N -0.78 0.28 -0.21 1.46 0.11 -1.93 -1.50 114.38 111.81 1f8i h ARG 395 Ca -0.07 -0.12 0.03 0.00 0.10 0.00 0.00 59.98 59.92 1f8i h ARG 395 Cb 0.58 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1f8i h ARG 395 CO 0.12 0.60 0.14 1.49 0.10 0.00 0.00 179.97 182.42 1f8i h GLU 396 N 0.25 0.14 -0.61 0.08 4.57 -1.22 -1.51 114.58 116.28 1f8i h GLU 396 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1f8i h GLU 396 Cb 0.73 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1f8i h GLU 396 CO 0.06 0.09 0.00 1.55 -1.18 0.00 0.00 179.01 179.53 1f8i n VAL 397 N -4.50 0.82 -0.00 0.32 3.14 -0.64 -4.92 118.33 112.55 1f8i n VAL 397 Ca 0.01 -0.91 0.00 0.00 -2.96 0.00 0.00 64.34 60.48 1f8i n VAL 397 Cb 0.18 0.68 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 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 1.60 0.75 0.28 7.55 0.00 -0.57 -4.99 105.19 109.81 1f8i n GLY 398 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 1.08 -0.40 4.61 0.00 -1.46 0.21 119.26 123.30 1f8i h ALA 399 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1f8i h ALA 399 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1f8i h ALA 399 CO 0.00 -0.22 0.00 0.78 0.00 0.00 0.00 179.25 179.81 1f8i h GLY 400 N 0.44 0.69 0.84 0.00 0.00 -1.82 -1.77 103.07 101.45 1f8i h GLY 400 Ca 0.42 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1f8i h GLY 400 CO -0.41 0.40 -0.02 -1.82 0.00 0.00 0.00 176.54 174.69 1f8i h TYR 401 N 0.61 0.48 0.00 5.60 3.20 -1.00 -2.41 116.97 123.45 1f8i h TYR 401 Ca 0.13 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1f8i h TYR 401 Cb 0.38 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1f8i h TYR 401 CO 0.02 0.63 -0.19 0.74 -1.64 0.00 0.00 178.16 177.72 1f8i h PHE 402 N 0.19 0.00 -0.45 -3.82 -1.00 -0.94 -2.05 116.94 108.87 1f8i h PHE 402 Ca 0.06 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.73 1f8i h PHE 402 Cb 0.45 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1f8i h PHE 402 CO 0.04 0.19 -0.18 -0.44 -1.61 0.00 0.00 178.31 176.30 1f8i h ASP 403 N 0.00 0.90 -0.45 2.17 3.32 -1.13 0.11 116.42 121.34 1f8i h ASP 403 Ca -0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1f8i h ASP 403 Cb 0.69 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1f8i h ASP 403 CO 0.02 1.06 0.21 -0.09 -1.72 0.00 0.00 179.24 178.73 1f8i h ARG 404 N 0.78 0.66 -0.29 3.56 9.65 -0.88 0.11 114.38 127.96 1f8i h ARG 404 Ca 0.11 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1f8i h ARG 404 Cb 0.72 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1f8i h ARG 404 CO 0.06 0.57 0.16 0.82 2.80 0.00 0.00 179.97 184.37 1f8i h ILE 405 N 0.59 1.13 -0.60 1.20 2.04 -1.12 -0.80 117.51 119.95 1f8i h ILE 405 Ca 0.15 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1f8i h ILE 405 Cb 0.13 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1f8i h ILE 405 CO -0.02 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.60 1f8i h ALA 406 N 1.03 0.79 0.00 1.87 0.00 -0.36 -1.36 119.26 121.22 1f8i h ALA 406 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1f8i h ALA 406 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1f8i h ALA 406 CO -0.02 0.04 0.00 1.79 0.00 0.00 0.00 179.25 181.06 1f8i h THR 407 N 0.65 0.00 -0.09 0.00 1.35 -0.58 -0.65 112.91 113.60 1f8i h THR 407 Ca 0.26 -0.77 -0.24 0.00 -0.55 0.00 0.00 66.41 65.11 1f8i h THR 407 Cb 0.11 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1f8i h THR 407 CO -0.14 0.00 -0.88 0.74 -0.25 0.00 0.00 175.52 174.99 1f8i h THR 408 N 0.00 1.29 -0.22 6.82 2.02 -0.35 -2.31 112.91 120.15 1f8i h THR 408 Ca 0.00 -2.10 -0.19 0.00 0.77 0.00 0.00 66.41 64.89 1f8i h THR 408 Cb 0.77 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1f8i h THR 408 CO 0.00 0.66 -0.59 0.58 0.37 0.00 0.00 175.52 176.54 1f8i h VAL 409 N 0.46 1.29 -1.82 3.16 2.07 -1.09 -3.43 116.25 116.90 1f8i h VAL 409 Ca -0.08 -1.79 -0.22 0.00 0.82 0.00 0.00 66.70 65.44 1f8i h VAL 409 Cb 1.51 1.80 -0.30 0.00 -1.52 0.00 0.00 31.29 32.79 1f8i h VAL 409 CO 0.17 0.57 -0.56 -0.62 0.02 0.00 0.00 177.57 177.16 1f8i s ASP 410 N -6.92 0.67 0.50 0.57 2.15 -0.27 -5.03 116.67 108.34 1f8i s ASP 410 Ca -0.11 -0.43 0.20 0.00 0.43 0.00 0.00 52.55 52.64 1f8i s ASP 410 Cb 0.09 0.97 1.25 0.00 -0.30 0.00 0.00 42.92 44.93 1f8i s ASP 410 CO 0.88 -0.36 2.02 -0.65 -0.17 0.00 0.00 175.17 176.90 1f8i h PRO 411 N 8.19 0.13 -0.56 4.34 0.11 -1.64 -1.71 132.00 140.86 1f8i h PRO 411 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1f8i h PRO 411 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1f8i h PRO 411 CO 0.28 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 178.25 1f8i n ASN 412 N -4.44 2.84 -4.69 -2.05 3.02 -1.26 -4.95 115.26 103.72 1f8i n ASN 412 Ca 0.07 -2.21 -0.44 0.00 -0.03 0.00 0.00 54.58 51.96 1f8i n ASN 412 Cb 0.42 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.58 3.59 -1.68 6.41 2.88 -0.64 -4.87 113.62 119.88 1f8i n SER 413 Ca 0.15 1.05 0.07 0.00 -1.33 0.00 0.00 58.87 58.81 1f8i n SER 413 Cb 0.53 -1.49 0.36 0.00 -0.75 0.00 0.00 64.21 62.85 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 4.23 5.02 -1.86 -3.46 3.41 -1.26 -4.41 113.62 115.29 1f8i n SER 414 Ca 0.17 -2.71 -0.08 0.00 -0.26 0.00 0.00 58.87 55.99 1f8i n SER 414 Cb 0.32 -0.64 0.07 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.70 1.85 -1.45 6.66 -2.24 -1.26 -5.08 114.28 113.46 1f8i n THR 415 Ca 0.25 -3.31 -0.31 0.00 -2.27 0.00 0.00 64.05 58.41 1f8i n THR 415 Cb 1.03 -0.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.24 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 -3.57 3.51 -0.22 4.28 -4.23 -1.26 -5.04 115.64 109.12 1f8i s THR 416 Ca 0.40 0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 61.22 1f8i s THR 416 Cb 0.38 -3.14 -0.15 0.00 1.34 0.00 0.00 72.50 70.92 1f8i s THR 416 CO -0.03 -0.64 0.01 0.00 -0.54 0.00 0.00 174.62 173.42 1f8i n ALA 417 N -3.37 0.86 -0.29 3.99 0.00 -1.26 -4.63 120.51 115.80 1f8i n ALA 417 Ca 0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 53.44 52.82 1f8i n ALA 417 Cb 0.54 -0.31 0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 1.09 -9.18 0.00 3.38 -1.96 -3.38 115.31 104.25 1f8i h LEU 418 Ca -0.39 -0.16 -0.55 0.00 0.09 0.00 0.00 57.88 56.86 1f8i h LEU 418 Cb 1.30 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1f8i h LEU 418 CO -0.24 0.95 1.25 -0.89 0.09 0.00 0.00 178.44 179.60 1f8i s THR 419 N -5.59 3.27 0.00 0.22 2.01 -1.26 -1.34 115.64 112.94 1f8i s THR 419 Ca -0.12 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1f8i s THR 419 Cb 0.16 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1f8i s THR 419 CO 0.83 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1f8i n GLY 420 N 4.79 0.74 3.88 4.40 0.00 -1.26 -4.97 105.19 112.76 1f8i n GLY 420 Ca 0.21 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.10 6.55 0.50 1.61 1.04 -0.45 -4.98 113.70 115.87 1f8i s SER 421 Ca 0.00 0.98 0.26 0.00 0.48 0.00 0.00 55.95 57.67 1f8i s SER 421 Cb 0.00 -2.25 1.33 0.00 0.10 0.00 0.00 66.02 65.20 1f8i s SER 421 CO 0.00 -0.25 2.02 0.71 0.98 0.00 0.00 173.24 176.70 1f8i h THR 422 N 1.45 0.58 -0.46 2.02 1.35 -1.94 -2.17 112.91 113.73 1f8i h THR 422 Ca -0.47 -0.67 -0.12 0.00 -0.55 0.00 0.00 66.41 64.60 1f8i h THR 422 Cb 1.18 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1f8i h THR 422 CO 0.66 0.14 -0.18 -0.08 -0.25 0.00 0.00 175.52 175.81 1f8i h GLU 423 N 0.00 0.94 -0.12 4.72 4.81 -1.93 0.16 114.58 123.16 1f8i h GLU 423 Ca -0.00 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1f8i h GLU 423 Cb 0.42 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1f8i h GLU 423 CO 0.02 1.06 -0.30 1.49 -0.73 0.00 0.00 179.01 180.55 1f8i h GLU 424 N 0.79 0.23 -0.38 1.92 4.81 -1.66 -2.37 114.58 117.91 1f8i h GLU 424 Ca 0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1f8i h GLU 424 Cb 0.75 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1f8i h GLU 424 CO 0.06 0.51 0.00 0.41 -0.73 0.00 0.00 179.01 179.26 1f8i n GLY 425 N -0.47 2.84 0.00 1.92 0.00 -0.99 -4.59 105.19 103.90 1f8i n GLY 425 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.55 -0.01 0.00 1.61 6.02 0.55 -5.03 117.38 121.06 1f8i n GLN 426 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1f8i n GLN 426 Cb 0.49 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.24 1f8i n GLN 426 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24