#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n TYR 7 N 0.00 0.00 -1.32 1.12 4.02 -1.26 -3.61 117.16 116.11 3f1h n TYR 7 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 3f1h n TYR 7 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 3f1h n TYR 7 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3f1h n GLN 8 N 0.00 2.24 -2.52 -0.72 3.00 -1.26 -3.24 117.38 114.89 3f1h n GLN 8 Ca 0.00 -2.13 -0.43 0.00 -0.01 0.00 0.00 57.00 54.43 3f1h n GLN 8 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 30.24 28.21 3f1h n GLN 8 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3f1h s ILE 9 N -2.23 4.43 -0.20 5.09 -0.00 -1.24 -4.93 121.20 122.13 3f1h s ILE 9 Ca 0.52 1.73 -0.29 0.00 -0.00 0.00 0.00 60.65 62.61 3f1h s ILE 9 Cb 0.35 -4.12 0.00 0.00 -0.00 0.00 0.00 42.46 38.69 3f1h s ILE 9 CO -0.16 -0.14 1.09 -2.16 -0.00 0.00 0.00 174.94 173.57 3f1h s PRO 10 N 3.26 4.27 0.32 0.37 0.04 -1.26 -0.60 135.00 141.40 3f1h s PRO 10 Ca 0.51 1.43 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3f1h s PRO 10 Cb -0.19 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 3f1h s PRO 10 CO 0.12 -0.62 0.50 0.08 0.04 0.00 0.00 177.00 177.12 3f1h s VAL 11 N 3.15 5.14 -0.00 -0.36 1.01 -0.76 -2.92 120.40 125.65 3f1h s VAL 11 Ca 0.47 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3f1h s VAL 11 Cb -0.17 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3f1h s VAL 11 CO 0.09 -0.49 -0.11 -0.22 0.00 0.00 0.00 175.10 174.37 3f1h s LEU 12 N -4.22 2.03 -0.03 3.92 2.96 -0.74 -3.34 118.68 119.26 3f1h s LEU 12 Ca 0.38 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 3f1h s LEU 12 Cb -0.09 -0.54 0.11 0.00 0.50 0.00 0.00 46.19 46.16 3f1h s LEU 12 CO 0.34 0.12 0.92 -0.55 -1.32 0.00 0.00 176.35 175.86 3f1h s SER 13 N -0.32 -0.34 0.54 3.68 0.15 -1.10 -2.39 113.70 113.92 3f1h s SER 13 Ca 0.04 -0.00 0.21 0.00 0.70 0.00 0.00 55.95 56.90 3f1h s SER 13 Cb -0.04 0.36 1.43 0.00 -1.71 0.00 0.00 66.02 66.05 3f1h s SER 13 CO -0.00 -0.58 2.14 -0.65 1.20 0.00 0.00 173.24 175.34 3f1h h PRO 14 N 2.00 0.00 0.00 5.44 0.11 -1.96 0.20 132.00 137.79 3f1h h PRO 14 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3f1h h PRO 14 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3f1h h PRO 14 CO 0.30 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.96 3f1h n SER 15 N -4.31 0.00 0.00 -2.05 3.41 -1.26 -4.98 113.62 104.43 3f1h n SER 15 Ca -0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 3f1h n SER 15 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3f1h n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1h n GLY 16 N 0.30 -1.44 3.47 5.00 0.00 0.06 -4.89 105.19 107.70 3f1h n GLY 16 Ca 0.04 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3f1h n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 17 N 0.00 3.20 0.28 1.61 0.52 -1.26 -2.71 118.95 120.58 3f1h s ARG 17 Ca 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3f1h s ARG 17 Cb 0.00 -4.10 0.05 0.00 0.52 0.00 0.00 34.95 31.42 3f1h s ARG 17 CO 0.00 -1.38 0.38 2.89 0.02 0.00 0.00 175.30 177.20 3f1h n ARG 18 N 6.79 0.45 -3.79 3.54 1.85 -1.21 -4.96 116.66 119.33 3f1h n ARG 18 Ca -0.03 -1.11 -0.13 0.00 -1.00 0.00 0.00 57.85 55.58 3f1h n ARG 18 Cb 0.46 -0.23 -0.12 0.00 -1.05 0.00 0.00 32.46 31.53 3f1h n ARG 18 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3f1h s GLU 19 N -3.37 0.28 0.35 2.89 2.02 -1.26 -1.83 118.70 117.78 3f1h s GLU 19 Ca 0.26 0.35 0.04 0.00 0.02 0.00 0.00 54.97 55.64 3f1h s GLU 19 Cb -0.02 0.13 0.04 0.00 0.10 0.00 0.00 34.13 34.39 3f1h s GLU 19 CO 0.17 -0.04 0.35 1.28 0.02 0.00 0.00 175.26 177.04 3f1h n LEU 20 N 2.98 0.00 -3.69 1.80 4.77 0.23 -4.92 117.00 118.18 3f1h n LEU 20 Ca -0.13 -1.68 -0.27 0.00 -0.03 0.00 0.00 56.01 53.90 3f1h n LEU 20 Cb 0.58 -0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.39 3f1h n LEU 20 CO 0.18 -0.53 -0.35 0.00 -1.33 0.00 0.00 177.39 175.36 3f1h s ALA 21 N -2.47 0.76 0.23 -1.18 0.00 -1.22 -3.60 121.76 114.29 3f1h s ALA 21 Ca 0.26 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3f1h s ALA 21 Cb -0.02 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 3f1h s ALA 21 CO 0.17 -1.11 0.47 0.00 0.00 0.00 0.00 175.76 175.29 3f1h s ALA 22 N 1.97 3.72 -1.85 0.00 0.00 -1.20 -4.99 121.76 119.41 3f1h s ALA 22 Ca 0.01 -0.64 0.15 0.00 0.00 0.00 0.00 51.96 51.48 3f1h s ALA 22 Cb -0.16 -2.17 0.47 0.00 0.00 0.00 0.00 23.12 21.25 3f1h s ALA 22 CO -0.08 0.38 1.38 -3.47 0.00 0.00 0.00 175.76 173.97 3f1h n ASP 23 N -0.66 2.92 -4.65 0.00 2.03 -1.26 -4.22 116.55 110.71 3f1h n ASP 23 Ca -0.03 -2.06 -0.44 0.00 0.52 0.00 0.00 54.79 52.78 3f1h n ASP 23 Cb 0.53 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.55 3f1h n ASP 23 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3f1h n LEU 24 N 0.96 2.75 -4.46 -2.67 4.32 -1.24 -4.91 117.00 111.75 3f1h n LEU 24 Ca 0.17 1.19 -0.38 0.00 -0.02 0.00 0.00 56.01 56.98 3f1h n LEU 24 Cb 0.48 -1.39 0.04 0.00 -1.62 0.00 0.00 43.42 40.93 3f1h n LEU 24 CO 0.13 -0.88 0.05 -2.65 -1.22 0.00 0.00 177.39 172.81 3f1h n PRO 25 N 0.72 0.47 0.01 3.23 -0.02 -1.26 -4.48 135.00 133.67 3f1h n PRO 25 Ca 0.07 0.19 -0.15 0.00 -2.02 0.00 0.00 63.50 61.59 3f1h n PRO 25 Cb 0.34 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 3f1h n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1h h ALA 26 N 0.13 0.39 -3.28 3.55 0.00 -1.98 -3.42 119.26 114.65 3f1h h ALA 26 Ca -0.46 -0.61 -0.47 0.00 0.00 0.00 0.00 54.91 53.37 3f1h h ALA 26 Cb 1.39 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.95 3f1h h ALA 26 CO 0.46 0.71 -0.79 -1.21 0.00 0.00 0.00 179.25 178.43 3f1h s GLU 27 N -3.66 1.03 -0.26 0.00 0.41 -1.26 -5.01 118.70 109.94 3f1h s GLU 27 Ca -0.09 -1.16 -0.06 0.00 -0.41 0.00 0.00 54.97 53.26 3f1h s GLU 27 Cb 0.09 -1.08 -0.01 0.00 -1.78 0.00 0.00 34.13 31.35 3f1h s GLU 27 CO 0.88 0.23 0.05 0.96 -0.49 0.00 0.00 175.26 176.90 3f1h s ILE 28 N -1.58 3.92 -0.52 -1.63 -4.36 -1.26 -4.96 121.20 110.81 3f1h s ILE 28 Ca 0.06 -0.50 -0.22 0.00 -0.26 0.00 0.00 60.65 59.73 3f1h s ILE 28 Cb -0.08 -2.91 0.05 0.00 1.25 0.00 0.00 42.46 40.76 3f1h s ILE 28 CO 0.04 0.24 0.79 0.21 0.24 0.00 0.00 174.94 176.45 3f1h s ASN 29 N 1.53 6.30 0.28 4.36 3.84 -1.26 -4.93 114.94 125.06 3f1h s ASN 29 Ca 0.04 -0.56 -0.02 0.00 0.21 0.00 0.00 52.86 52.53 3f1h s ASN 29 Cb -0.16 -2.37 0.41 0.00 -0.55 0.00 0.00 41.25 38.58 3f1h s ASN 29 CO 0.01 -1.05 1.94 -0.65 -2.79 0.00 0.00 177.10 174.56 3f1h h PRO 30 N 9.14 1.14 -0.77 0.43 0.11 -2.00 -1.81 132.00 138.23 3f1h h PRO 30 Ca -0.27 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 3f1h h PRO 30 Cb 1.08 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3f1h h PRO 30 CO 1.02 0.75 0.33 1.25 -0.21 0.00 0.00 178.00 181.15 3f1h h HIS 31 N 1.17 1.16 -0.83 0.65 -0.00 -1.98 -1.19 115.15 114.12 3f1h h HIS 31 Ca 0.35 -0.08 0.09 0.00 -0.00 0.00 0.00 60.37 60.74 3f1h h HIS 31 Cb -0.04 -0.35 -0.07 0.00 -0.00 0.00 0.00 27.41 26.95 3f1h h HIS 31 CO -0.00 0.87 0.48 1.25 -0.00 0.00 0.00 177.93 180.53 3f1h h LEU 32 N 1.11 0.70 -0.64 0.26 5.85 -1.75 0.45 115.31 121.29 3f1h h LEU 32 Ca 0.26 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 3f1h h LEU 32 Cb 0.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3f1h h LEU 32 CO -0.03 0.41 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.17 3f1h h LEU 33 N 0.82 0.82 -1.70 2.25 4.07 -1.31 0.20 115.31 120.45 3f1h h LEU 33 Ca 0.40 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 3f1h h LEU 33 Cb 0.34 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 3f1h h LEU 33 CO -0.24 1.03 -0.18 -0.25 -1.08 0.00 0.00 178.44 177.72 3f1h h TRP 34 N 0.69 0.00 0.16 1.13 7.01 0.14 0.30 115.95 125.39 3f1h h TRP 34 Ca 0.09 0.00 -0.31 0.00 2.11 0.00 0.00 58.89 60.78 3f1h h TRP 34 Cb 0.77 0.00 0.03 0.00 -2.10 0.00 0.00 29.16 27.86 3f1h h TRP 34 CO 0.04 0.18 -1.31 0.93 -2.79 0.00 0.00 178.44 175.49 3f1h h GLU 35 N 0.00 0.57 -0.05 2.65 5.08 0.88 -2.85 114.58 120.86 3f1h h GLU 35 Ca -0.00 -0.83 -0.18 0.00 -1.00 0.00 0.00 59.36 57.35 3f1h h GLU 35 Cb 0.40 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3f1h h GLU 35 CO 0.02 1.38 -0.75 0.28 -1.00 0.00 0.00 179.01 178.95 3f1h h VAL 36 N 0.22 1.41 -0.19 3.13 2.07 -0.34 -2.56 116.25 119.99 3f1h h VAL 36 Ca -0.20 -2.24 -0.15 0.00 0.82 0.00 0.00 66.70 64.93 3f1h h VAL 36 Cb 1.99 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 3f1h h VAL 36 CO 0.25 0.66 -0.47 0.58 0.02 0.00 0.00 177.57 178.61 3f1h h VAL 37 N 0.21 1.32 -0.98 2.57 2.07 -1.06 -2.02 116.25 118.37 3f1h h VAL 37 Ca -0.03 -1.71 0.07 0.00 0.82 0.00 0.00 66.70 65.85 3f1h h VAL 37 Cb 1.32 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.94 3f1h h VAL 37 CO 0.12 0.53 0.63 -0.09 0.02 0.00 0.00 177.57 178.78 3f1h h ARG 38 N 0.34 1.07 -0.30 1.57 2.43 -1.51 0.58 114.38 118.56 3f1h h ARG 38 Ca -0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3f1h h ARG 38 Cb 1.09 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3f1h h ARG 38 CO 0.10 0.71 0.13 2.35 -1.51 0.00 0.00 179.97 181.75 3f1h h TRP 39 N 1.10 0.44 -0.45 2.20 7.01 -1.25 -0.76 115.95 124.25 3f1h h TRP 39 Ca 0.43 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.36 3f1h h TRP 39 Cb 0.23 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 3f1h h TRP 39 CO -0.00 0.42 0.12 1.96 -2.79 0.00 0.00 178.44 178.15 3f1h h GLN 40 N 0.34 0.70 0.00 2.65 4.20 -0.61 -1.95 115.11 120.44 3f1h h GLN 40 Ca 0.10 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3f1h h GLN 40 Cb 0.15 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3f1h h GLN 40 CO -0.01 0.69 0.00 -0.07 -0.67 0.00 0.00 178.83 178.77 3f1h h LEU 41 N 0.59 0.00 0.13 1.46 3.38 -0.80 -3.14 115.31 116.92 3f1h h LEU 41 Ca 0.14 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 3f1h h LEU 41 Cb 0.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.06 3f1h h LEU 41 CO -0.00 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 177.72 3f1h h ALA 42 N 2.17 -0.06 -0.13 1.53 0.00 -0.45 -3.25 119.26 119.07 3f1h h ALA 42 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 3f1h h ALA 42 Cb 0.45 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3f1h h ALA 42 CO 0.00 0.39 -0.28 1.57 0.00 0.00 0.00 179.25 180.93 3f1h h LYS 43 N -0.42 0.25 0.00 0.00 2.10 -1.33 -2.38 116.57 114.78 3f1h h LYS 43 Ca -0.15 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3f1h h LYS 43 Cb 1.60 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 3f1h h LYS 43 CO 0.13 0.52 0.00 0.07 -2.00 0.00 0.00 179.45 178.16 3f1h h ARG 44 N 0.22 0.00 -6.37 0.07 0.11 -1.70 -3.44 114.38 103.27 3f1h h ARG 44 Ca 0.03 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.58 3f1h h ARG 44 Cb 0.62 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.72 3f1h h ARG 44 CO 0.04 0.00 1.21 0.50 0.10 0.00 0.00 179.97 181.82 3f1h s ARG 45 N -3.20 4.14 -0.27 0.08 3.52 -0.90 -4.94 118.95 117.38 3f1h s ARG 45 Ca 0.08 2.59 -0.12 0.00 -0.13 0.00 0.00 55.73 58.15 3f1h s ARG 45 Cb 0.10 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.37 3f1h s ARG 45 CO 0.56 -0.93 0.22 0.50 -0.81 0.00 0.00 175.30 174.83 3f1h s ARG 46 N 4.21 3.98 0.05 5.12 3.52 -1.26 -4.60 118.95 129.97 3f1h s ARG 46 Ca 0.87 -0.25 -0.31 0.00 -0.13 0.00 0.00 55.73 55.91 3f1h s ARG 46 Cb -0.43 -3.64 -0.06 0.00 -1.56 0.00 0.00 34.95 29.26 3f1h s ARG 46 CO 0.40 -0.17 1.31 0.20 -0.81 0.00 0.00 175.30 176.24 3f1h s GLY 47 N 1.65 2.09 0.00 8.12 0.00 -1.26 -4.76 107.32 113.16 3f1h s GLY 47 Ca 0.09 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.73 3f1h s GLY 47 CO 0.10 2.28 0.00 -0.37 0.00 0.00 0.00 173.10 175.11 3f1h n THR 48 N 4.21 0.00 -3.18 0.90 5.66 -1.26 -4.67 114.28 115.93 3f1h n THR 48 Ca 0.11 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.72 3f1h n THR 48 Cb 0.44 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.17 3f1h n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f1h s ALA 49 N 0.00 3.46 0.06 1.79 0.00 -1.26 -4.93 121.76 120.88 3f1h s ALA 49 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3f1h s ALA 49 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3f1h s ALA 49 CO 0.00 -0.21 -0.05 0.45 0.00 0.00 0.00 175.76 175.94 3f1h s SER 50 N 0.87 0.76 0.18 0.00 0.15 -1.26 -2.92 113.70 111.48 3f1h s SER 50 Ca 0.30 -0.80 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 3f1h s SER 50 Cb -0.16 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 3f1h s SER 50 CO 0.12 -0.40 0.24 0.42 1.20 0.00 0.00 173.24 174.82 3f1h s THR 51 N -2.73 0.04 -0.17 6.45 -4.23 -0.85 -4.94 115.64 109.22 3f1h s THR 51 Ca 0.00 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 3f1h s THR 51 Cb -0.01 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 3f1h s THR 51 CO -0.04 -0.20 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.27 3f1h s LYS 52 N -4.04 3.62 0.77 3.99 1.02 -1.26 -4.90 119.74 118.93 3f1h s LYS 52 Ca 0.25 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 3f1h s LYS 52 Cb 0.04 -2.96 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 3f1h s LYS 52 CO 0.05 0.13 1.10 0.95 -0.92 0.00 0.00 175.35 176.66 3f1h s THR 53 N 0.66 3.13 -1.44 2.17 -4.23 -1.26 -0.39 115.64 114.28 3f1h s THR 53 Ca -0.02 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 3f1h s THR 53 Cb -0.14 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3f1h s THR 53 CO 0.02 -0.45 0.42 -2.11 -0.54 0.00 0.00 174.62 171.96 3f1h n ARG 54 N -3.41 0.00 -0.08 3.99 1.85 -1.26 0.22 116.66 117.97 3f1h n ARG 54 Ca 0.10 0.03 -0.15 0.00 -1.00 0.00 0.00 57.85 56.83 3f1h n ARG 54 Cb 0.53 -1.51 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 3f1h n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3f1h n GLY 55 N -0.92 -0.67 0.12 2.89 0.00 -1.26 -4.33 105.19 101.01 3f1h n GLY 55 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3f1h n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f1h n GLU 56 N -3.13 0.42 -1.29 1.61 1.02 0.13 -4.90 120.64 114.50 3f1h n GLU 56 Ca -0.35 -0.24 -0.32 0.00 -0.02 0.00 0.00 57.16 56.23 3f1h n GLU 56 Cb 1.06 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 31.08 3f1h n GLU 56 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3f1h s VAL 57 N -2.74 2.98 -1.01 2.62 0.11 -0.96 -4.93 120.40 116.47 3f1h s VAL 57 Ca 0.18 0.37 0.27 0.00 -2.93 0.00 0.00 61.98 59.87 3f1h s VAL 57 Cb 0.18 -2.79 0.15 0.00 -1.53 0.00 0.00 36.38 32.40 3f1h s VAL 57 CO 0.60 -0.37 1.73 0.00 -3.33 0.00 0.00 175.10 173.73 3f1h n ALA 58 N -3.31 2.82 -1.26 1.54 0.00 -1.26 -4.92 120.51 114.12 3f1h n ALA 58 Ca 0.10 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 3f1h n ALA 58 Cb 0.52 -1.33 0.24 0.00 0.00 0.00 0.00 19.45 18.88 3f1h n ALA 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1h n TYR 59 N -1.49 -3.91 -3.06 0.00 4.02 -1.26 -5.07 117.16 106.39 3f1h n TYR 59 Ca 0.07 -1.01 -0.19 0.00 -0.01 0.00 0.00 57.90 56.75 3f1h n TYR 59 Cb 0.34 -1.09 0.05 0.00 -0.02 0.00 0.00 39.34 38.62 3f1h n TYR 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3f1h s SER 60 N -4.71 5.16 0.06 7.72 1.04 -1.26 -4.98 113.70 116.73 3f1h s SER 60 Ca 0.71 -0.80 0.09 0.00 0.48 0.00 0.00 55.95 56.42 3f1h s SER 60 Cb -0.06 0.17 -0.22 0.00 0.10 0.00 0.00 66.02 66.02 3f1h s SER 60 CO 0.53 -1.25 1.06 1.23 0.98 0.00 0.00 173.24 175.78 3f1h h GLY 61 N 0.26 0.00 -4.15 7.32 0.00 -1.97 -3.43 103.07 101.10 3f1h h GLY 61 Ca -0.31 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.40 3f1h h GLY 61 CO 0.42 0.00 -0.63 -2.13 0.00 0.00 0.00 176.54 174.20 3f1h n ARG 62 N -3.24 0.30 -2.37 4.80 0.63 -1.26 -4.61 116.66 110.91 3f1h n ARG 62 Ca -0.06 0.11 -0.43 0.00 -0.92 0.00 0.00 57.85 56.55 3f1h n ARG 62 Cb 0.98 -1.27 -0.02 0.00 0.45 0.00 0.00 32.46 32.59 3f1h n ARG 62 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3f1h s LYS 63 N -1.32 3.83 0.31 -0.14 2.20 -1.20 -4.16 119.74 119.27 3f1h s LYS 63 Ca 0.62 1.23 0.09 0.00 -0.36 0.00 0.00 55.97 57.55 3f1h s LYS 63 Cb -0.63 -3.93 0.94 0.00 -1.51 0.00 0.00 37.83 32.70 3f1h s LYS 63 CO 0.60 -1.24 1.46 1.51 -0.36 0.00 0.00 175.35 177.33 3f1h n ILE 64 N 6.41 -0.39 -3.64 5.43 0.13 0.20 -4.63 119.36 122.87 3f1h n ILE 64 Ca 0.16 1.98 -0.06 0.00 -1.10 0.00 0.00 62.75 63.72 3f1h n ILE 64 Cb 0.47 -3.02 -0.07 0.00 -0.84 0.00 0.00 39.64 36.17 3f1h n ILE 64 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 3f1h s TRP 65 N -5.70 -0.34 0.03 9.51 1.48 -1.26 -5.11 118.94 117.55 3f1h s TRP 65 Ca -0.10 0.81 0.02 0.00 -1.06 0.00 0.00 56.10 55.76 3f1h s TRP 65 Cb 0.29 0.39 0.12 0.00 -1.16 0.00 0.00 33.47 33.11 3f1h s TRP 65 CO 0.73 -0.16 0.14 -2.30 -4.06 0.00 0.00 176.95 171.29 3f1h n PRO 66 N 2.17 -0.01 -2.40 3.25 -0.02 -1.26 -4.49 135.00 132.25 3f1h n PRO 66 Ca -0.12 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3f1h n PRO 66 Cb 0.56 -0.22 0.03 0.00 -0.02 0.00 0.00 33.50 33.85 3f1h n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1h n GLN 67 N -3.26 -1.74 0.00 -0.52 10.64 -1.26 -5.04 117.38 116.19 3f1h n GLN 67 Ca 0.03 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 3f1h n GLN 67 Cb 0.11 -3.59 0.00 0.00 -0.86 0.00 0.00 30.24 25.90 3f1h n GLN 67 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3f1h n LYS 68 N -2.27 0.00 -3.97 2.61 2.85 -1.26 -5.01 118.16 111.11 3f1h n LYS 68 Ca -0.07 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.79 3f1h n LYS 68 Cb 0.56 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.96 3f1h n LYS 68 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3f1h n HIS 69 N 0.00 -1.60 0.00 5.58 8.25 -1.26 -4.80 115.22 121.39 3f1h n HIS 69 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3f1h n HIS 69 Cb 0.00 -2.86 0.00 0.00 1.12 0.00 0.00 29.99 28.25 3f1h n HIS 69 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3f1h n THR 70 N -4.40 0.00 0.00 1.59 5.66 -1.26 -5.00 114.28 110.87 3f1h n THR 70 Ca -0.15 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 3f1h n THR 70 Cb 0.59 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 3f1h n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3f1h n GLY 71 N 0.34 2.02 3.71 1.09 0.00 -1.26 -4.95 105.19 106.14 3f1h n GLY 71 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3f1h n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 72 N 0.00 1.10 0.00 1.61 1.81 -1.26 -5.01 118.95 117.19 3f1h s ARG 72 Ca 0.00 0.73 0.00 0.00 -1.72 0.00 0.00 55.73 54.74 3f1h s ARG 72 Cb 0.00 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 3f1h s ARG 72 CO 0.00 -2.33 0.00 0.00 -0.68 0.00 0.00 175.30 172.29 3f1h n ALA 73 N -3.93 0.00 0.00 2.13 0.00 -1.26 -4.95 120.51 112.50 3f1h n ALA 73 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3f1h n ALA 73 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3f1h n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3f1h n ARG 74 N 0.00 0.00 -3.80 0.00 0.63 -1.26 -4.94 116.66 107.29 3f1h n ARG 74 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3f1h n ARG 74 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3f1h n ARG 74 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3f1h s HIS 75 N 0.00 -0.01 0.00 -0.14 3.76 -1.26 -5.09 115.29 112.55 3f1h s HIS 75 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3f1h s HIS 75 Cb 0.00 0.33 0.00 0.00 1.11 0.00 0.00 32.58 34.02 3f1h s HIS 75 CO 0.00 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.38 3f1h n GLY 76 N -0.34 -0.43 3.44 -2.22 0.00 -1.26 -4.42 105.19 99.97 3f1h n GLY 76 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 3f1h n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f1h s ASP 77 N -2.28 -0.54 0.64 1.61 -4.77 -1.26 0.59 116.67 110.67 3f1h s ASP 77 Ca 0.00 0.87 0.12 0.00 -3.30 0.00 0.00 52.55 50.24 3f1h s ASP 77 Cb 0.00 0.87 0.52 0.00 -1.09 0.00 0.00 42.92 43.22 3f1h s ASP 77 CO 0.00 -0.33 1.23 0.40 0.70 0.00 0.00 175.17 177.17 3f1h h ILE 78 N 3.89 0.02 -0.93 2.11 5.03 -1.84 0.47 117.51 126.26 3f1h h ILE 78 Ca -0.28 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.53 3f1h h ILE 78 Cb 1.16 0.10 -0.07 0.00 -3.03 0.00 0.00 36.82 34.99 3f1h h ILE 78 CO 0.25 0.00 0.59 1.23 -0.68 0.00 0.00 178.15 179.53 3f1h h GLY 79 N 0.00 1.42 -6.01 5.37 0.00 -1.88 -3.37 103.07 98.60 3f1h h GLY 79 Ca 0.16 -0.42 -0.77 0.00 0.00 0.00 0.00 47.33 46.29 3f1h h GLY 79 CO -0.00 0.28 0.38 0.00 0.00 0.00 0.00 176.54 177.20 3f1h n ALA 80 N -2.36 -2.19 0.06 3.60 0.00 0.16 0.32 120.51 120.10 3f1h n ALA 80 Ca 0.14 0.50 0.03 0.00 0.00 0.00 0.00 53.44 54.11 3f1h n ALA 80 Cb 0.20 -1.69 0.18 0.00 0.00 0.00 0.00 19.45 18.13 3f1h n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3f1h n PRO 81 N 2.66 0.04 -0.10 0.00 -0.04 -1.26 -0.62 135.00 135.68 3f1h n PRO 81 Ca 0.24 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 64.29 3f1h n PRO 81 Cb 0.00 -1.74 0.35 0.00 -0.04 0.00 0.00 33.50 32.07 3f1h n PRO 81 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3f1h n ILE 82 N -1.69 0.25 -3.43 0.52 -5.35 -1.26 -4.74 119.36 103.65 3f1h n ILE 82 Ca -0.00 -0.38 -0.36 0.00 -0.27 0.00 0.00 62.75 61.74 3f1h n ILE 82 Cb 0.10 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.32 3f1h n ILE 82 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3f1h s PHE 83 N -1.75 3.64 0.08 4.28 0.40 0.21 -5.02 117.98 119.82 3f1h s PHE 83 Ca 0.32 1.00 -0.31 0.00 -0.60 0.00 0.00 56.93 57.34 3f1h s PHE 83 Cb 0.17 -2.31 -0.06 0.00 0.51 0.00 0.00 43.02 41.32 3f1h s PHE 83 CO 0.25 0.50 1.26 0.54 0.70 0.00 0.00 175.22 178.47 3f1h s VAL 84 N -1.35 3.81 -0.07 -0.44 0.11 -1.26 -1.06 120.40 120.14 3f1h s VAL 84 Ca 0.33 1.30 0.00 0.00 -2.93 0.00 0.00 61.98 60.68 3f1h s VAL 84 Cb -0.15 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 3f1h s VAL 84 CO 0.18 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 3f1h n GLY 85 N 3.30 0.43 0.00 6.54 0.00 -1.26 -5.05 105.19 109.15 3f1h n GLY 85 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3f1h n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 86 N -2.91 0.49 3.87 -0.02 0.00 -0.22 -4.83 105.19 101.56 3f1h n GLY 86 Ca -0.01 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 3f1h n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1h s GLY 87 N -2.03 1.65 0.22 -0.02 0.00 0.15 -4.92 107.32 102.37 3f1h s GLY 87 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 44.72 44.49 3f1h s GLY 87 CO 0.00 0.14 0.48 0.54 0.00 0.00 0.00 173.10 174.26 3f1h s VAL 88 N -3.23 5.06 0.00 1.40 0.11 0.47 -4.12 120.40 120.09 3f1h s VAL 88 Ca 0.57 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 3f1h s VAL 88 Cb -0.11 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 3f1h s VAL 88 CO 0.53 -0.12 0.00 0.52 -3.33 0.00 0.00 175.10 172.70 3f1h n VAL 89 N -0.37 0.00 0.07 2.04 0.31 -1.26 -4.16 118.33 114.96 3f1h n VAL 89 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3f1h n VAL 89 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3f1h n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3f1h n PHE 90 N 0.00 0.00 -0.98 3.52 3.72 -1.26 -4.80 117.46 117.66 3f1h n PHE 90 Ca 0.00 -0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 56.91 3f1h n PHE 90 Cb 0.00 -0.21 0.14 0.00 -0.94 0.00 0.00 39.48 38.46 3f1h n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3f1h s GLY 91 N 1.47 1.93 0.68 1.37 0.00 -1.26 -4.96 107.32 106.54 3f1h s GLY 91 Ca 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 44.72 45.23 3f1h s GLY 91 CO 0.00 1.10 1.27 2.56 0.00 0.00 0.00 173.10 178.03 3f1h s PRO 92 N -4.41 2.38 0.04 2.90 0.04 -1.26 -4.82 135.00 129.87 3f1h s PRO 92 Ca 0.69 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.73 3f1h s PRO 92 Cb -0.25 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3f1h s PRO 92 CO 0.54 -1.71 -0.04 0.15 0.04 0.00 0.00 177.00 175.98 3f1h s LYS 93 N -3.53 0.46 0.34 4.56 -0.14 -1.19 -2.00 119.74 118.24 3f1h s LYS 93 Ca 0.81 -0.86 -0.28 0.00 -1.36 0.00 0.00 55.97 54.28 3f1h s LYS 93 Cb -0.36 0.08 -0.12 0.00 -1.68 0.00 0.00 37.83 35.76 3f1h s LYS 93 CO 0.42 -0.06 1.32 -0.35 -0.76 0.00 0.00 175.35 175.92 3f1h n PRO 94 N 1.02 2.21 -3.61 -1.68 -0.04 -1.15 -4.80 135.00 126.95 3f1h n PRO 94 Ca -0.20 0.77 -0.16 0.00 -0.04 0.00 0.00 63.50 63.87 3f1h n PRO 94 Cb 0.57 -2.38 -0.07 0.00 -0.04 0.00 0.00 33.50 31.58 3f1h n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3f1h s ARG 95 N -1.85 0.89 -0.42 0.54 1.70 -1.26 -4.97 118.95 113.59 3f1h s ARG 95 Ca 0.56 0.22 -0.26 0.00 -0.47 0.00 0.00 55.73 55.78 3f1h s ARG 95 Cb -0.56 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.26 3f1h s ARG 95 CO 0.62 -0.25 0.95 0.34 -1.08 0.00 0.00 175.30 175.88 3f1h s ASP 96 N -0.99 6.60 0.21 -2.89 2.15 -1.26 -4.02 116.67 116.46 3f1h s ASP 96 Ca -0.10 0.38 0.26 0.00 0.43 0.00 0.00 52.55 53.52 3f1h s ASP 96 Cb -0.02 -2.47 0.81 0.00 -0.30 0.00 0.00 42.92 40.94 3f1h s ASP 96 CO 0.07 -0.98 1.77 -1.22 -0.17 0.00 0.00 175.17 174.65 3f1h n TYR 97 N 7.04 0.92 -1.26 -5.34 4.01 -1.26 -4.90 117.16 116.38 3f1h n TYR 97 Ca 0.07 0.27 -0.32 0.00 -0.16 0.00 0.00 57.90 57.76 3f1h n TYR 97 Cb 0.48 -0.94 0.10 0.00 -0.31 0.00 0.00 39.34 38.67 3f1h n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3f1h s SER 98 N -4.52 4.23 0.26 7.72 1.04 -1.25 -4.72 113.70 116.47 3f1h s SER 98 Ca 0.11 2.01 -0.14 0.00 0.48 0.00 0.00 55.95 58.41 3f1h s SER 98 Cb 0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3f1h s SER 98 CO 0.60 -2.22 0.54 -0.72 0.98 0.00 0.00 173.24 172.42 3f1h s TYR 99 N -2.61 0.26 -0.92 5.02 1.13 -1.26 -5.00 117.35 113.97 3f1h s TYR 99 Ca 0.65 -0.65 -0.08 0.00 -1.41 0.00 0.00 57.07 55.58 3f1h s TYR 99 Cb -0.21 0.32 0.23 0.00 -1.10 0.00 0.00 41.96 41.20 3f1h s TYR 99 CO 0.52 -1.08 0.85 0.99 -2.51 0.00 0.00 175.55 174.32 3f1h s THR 100 N -3.89 5.19 0.04 -3.49 2.01 -1.26 -4.97 115.64 109.28 3f1h s THR 100 Ca 0.20 -3.23 -0.30 0.00 0.31 0.00 0.00 61.69 58.66 3f1h s THR 100 Cb -0.02 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 3f1h s THR 100 CO 0.09 -1.08 1.85 -0.22 -0.69 0.00 0.00 174.62 174.57 3f1h s LEU 101 N -0.77 4.40 0.30 4.42 2.96 -1.26 -4.88 118.68 123.85 3f1h s LEU 101 Ca 0.25 2.58 -0.28 0.00 -0.22 0.00 0.00 54.13 56.46 3f1h s LEU 101 Cb -0.11 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.90 3f1h s LEU 101 CO -0.09 -1.00 0.96 -2.65 -1.32 0.00 0.00 176.35 172.25 3f1h n PRO 102 N 6.90 1.23 -0.16 0.98 -0.02 -1.26 -4.70 135.00 137.98 3f1h n PRO 102 Ca 0.19 0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3f1h n PRO 102 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3f1h n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3f1h h LYS 103 N 1.85 0.68 -0.83 -0.52 1.57 -2.00 -1.57 116.57 115.75 3f1h h LYS 103 Ca -0.39 -0.13 0.18 0.00 -1.87 0.00 0.00 60.65 58.43 3f1h h LYS 103 Cb 1.35 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 3f1h h LYS 103 CO 0.60 0.64 -0.16 0.87 -0.57 0.00 0.00 179.45 180.83 3f1h h LYS 104 N 0.59 0.02 -0.70 3.15 6.56 -2.01 0.42 116.57 124.59 3f1h h LYS 104 Ca 0.15 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3f1h h LYS 104 Cb 0.22 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 3f1h h LYS 104 CO -0.01 0.01 0.44 0.28 -2.06 0.00 0.00 179.45 178.11 3f1h h VAL 105 N 0.02 1.19 -0.62 0.50 2.07 -1.64 -1.28 116.25 116.49 3f1h h VAL 105 Ca 0.42 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3f1h h VAL 105 Cb 0.67 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3f1h h VAL 105 CO -0.83 0.19 0.36 0.03 0.02 0.00 0.00 177.57 177.34 3f1h h ARG 106 N 0.95 0.66 0.30 1.57 2.47 -0.62 -1.42 114.38 118.30 3f1h h ARG 106 Ca 0.25 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.92 3f1h h ARG 106 Cb -0.07 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 3f1h h ARG 106 CO -0.05 0.44 -0.15 0.87 0.56 0.00 0.00 179.97 181.64 3f1h h LYS 107 N 0.68 -0.39 -0.86 0.04 1.57 -1.06 -2.43 116.57 114.13 3f1h h LYS 107 Ca 0.26 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.22 3f1h h LYS 107 Cb 0.10 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.35 3f1h h LYS 107 CO -0.14 -0.06 -0.29 1.63 -0.57 0.00 0.00 179.45 180.02 3f1h n LYS 108 N -5.08 -0.15 0.24 3.15 4.76 -0.51 -0.78 118.16 119.79 3f1h n LYS 108 Ca -0.09 1.33 -0.17 0.00 -2.87 0.00 0.00 58.31 56.51 3f1h n LYS 108 Cb 0.26 -1.98 -0.10 0.00 -1.84 0.00 0.00 35.03 31.38 3f1h n LYS 108 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3f1h h GLY 109 N 0.00 -1.18 0.01 0.72 0.00 -1.13 0.21 103.07 101.70 3f1h h GLY 109 Ca 0.35 0.58 0.15 0.00 0.00 0.00 0.00 47.33 48.41 3f1h h GLY 109 CO -0.87 -0.34 0.22 -2.00 0.00 0.00 0.00 176.54 173.56 3f1h h LEU 110 N -0.92 0.11 -0.09 3.11 5.85 -0.45 0.47 115.31 123.39 3f1h h LEU 110 Ca -0.04 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3f1h h LEU 110 Cb 0.83 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3f1h h LEU 110 CO -0.12 0.01 0.04 0.00 -0.34 0.00 0.00 178.44 178.03 3f1h h ALA 111 N 1.59 0.11 -0.52 1.25 0.00 -0.43 -1.52 119.26 119.73 3f1h h ALA 111 Ca 0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3f1h h ALA 111 Cb 0.68 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3f1h h ALA 111 CO -0.47 -0.31 0.07 0.52 0.00 0.00 0.00 179.25 179.06 3f1h h MET 112 N 0.00 0.83 0.81 0.00 2.86 0.67 0.63 114.93 120.73 3f1h h MET 112 Ca 0.03 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 3f1h h MET 112 Cb 0.14 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.70 3f1h h MET 112 CO -0.00 0.78 -0.39 0.00 1.06 0.00 0.00 176.91 178.36 3f1h h ALA 113 N 1.29 -1.27 -0.64 6.32 0.00 -0.02 0.25 119.26 125.19 3f1h h ALA 113 Ca 0.16 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.96 3f1h h ALA 113 Cb 0.37 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 3f1h h ALA 113 CO 0.01 -1.19 -0.22 0.28 0.00 0.00 0.00 179.25 178.13 3f1h h VAL 114 N -1.11 0.28 0.20 0.00 2.07 -1.19 -2.16 116.25 114.35 3f1h h VAL 114 Ca -0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3f1h h VAL 114 Cb 0.84 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3f1h h VAL 114 CO 0.18 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.33 3f1h h ALA 115 N 1.47 -0.83 -0.97 1.67 0.00 -0.65 -0.49 119.26 119.45 3f1h h ALA 115 Ca 0.29 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.42 3f1h h ALA 115 Cb 0.51 0.71 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 3f1h h ALA 115 CO -0.68 -1.03 0.41 0.22 0.00 0.00 0.00 179.25 178.17 3f1h h ASP 116 N -0.73 0.22 -0.32 0.00 3.58 0.15 0.98 116.42 120.31 3f1h h ASP 116 Ca 0.00 0.22 -0.18 0.00 0.42 0.00 0.00 57.03 57.49 3f1h h ASP 116 Cb 0.72 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 3f1h h ASP 116 CO -0.20 -0.23 -0.50 0.03 -2.88 0.00 0.00 179.24 175.45 3f1h h ARG 117 N 0.19 0.90 -0.43 0.28 -0.00 -1.00 -2.41 114.38 111.91 3f1h h ARG 117 Ca 0.69 -0.55 0.03 0.00 -0.50 0.00 0.00 59.98 59.66 3f1h h ARG 117 Cb 1.58 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 31.57 3f1h h ARG 117 CO -0.69 1.19 0.22 0.00 0.00 0.00 0.00 179.97 180.69 3f1h h ALA 118 N 0.71 0.54 0.00 0.04 0.00 0.24 0.99 119.26 121.78 3f1h h ALA 118 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3f1h h ALA 118 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3f1h h ALA 118 CO 0.12 -0.13 0.00 -0.09 0.00 0.00 0.00 179.25 179.15 3f1h h ARG 119 N 0.45 0.00 0.00 0.00 2.43 -0.41 0.21 114.38 117.05 3f1h h ARG 119 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3f1h h ARG 119 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3f1h h ARG 119 CO -0.12 0.00 -0.82 -1.91 -1.51 0.00 0.00 179.97 175.61 3f1h n GLU 120 N -2.82 0.21 -0.26 0.20 2.13 -0.32 -4.96 120.64 114.82 3f1h n GLU 120 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3f1h n GLU 120 Cb 0.24 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3f1h n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f1h n GLY 121 N 1.40 1.83 0.17 8.31 0.00 0.19 -4.91 105.19 112.19 3f1h n GLY 121 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3f1h n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h h LYS 122 N 2.79 0.00 -6.89 1.61 1.79 -1.61 -3.44 116.57 110.82 3f1h h LYS 122 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 3f1h h LYS 122 Cb 0.00 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.75 3f1h h LYS 122 CO 0.00 0.44 0.79 -0.11 -1.08 0.00 0.00 179.45 179.49 3f1h n LEU 123 N -3.95 4.62 -3.25 2.94 7.94 -1.19 -4.03 117.00 120.08 3f1h n LEU 123 Ca -0.02 1.21 -0.04 0.00 -1.11 0.00 0.00 56.01 56.05 3f1h n LEU 123 Cb 0.48 -1.61 -0.04 0.00 0.53 0.00 0.00 43.42 42.78 3f1h n LEU 123 CO 0.39 0.13 -0.01 -0.22 -1.11 0.00 0.00 177.39 176.58 3f1h s LEU 124 N -1.60 -1.07 0.41 -1.96 2.96 -0.90 -4.55 118.68 111.96 3f1h s LEU 124 Ca 0.56 -0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.86 3f1h s LEU 124 Cb -0.49 1.45 -0.09 0.00 0.50 0.00 0.00 46.19 47.57 3f1h s LEU 124 CO 0.60 -0.31 1.08 -0.76 -1.32 0.00 0.00 176.35 175.65 3f1h s LEU 125 N 2.44 4.12 0.28 -0.68 1.43 -1.15 -2.39 118.68 122.74 3f1h s LEU 125 Ca 0.11 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 3f1h s LEU 125 Cb -0.11 -4.18 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 3f1h s LEU 125 CO -0.24 -0.59 0.36 0.68 0.23 0.00 0.00 176.35 176.79 3f1h s VAL 126 N -1.61 0.00 0.00 -1.59 -7.23 0.77 -1.80 120.40 108.94 3f1h s VAL 126 Ca 0.59 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3f1h s VAL 126 Cb -0.24 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.21 3f1h s VAL 126 CO 0.30 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.30 3f1h n GLU 127 N -0.46 3.86 -1.19 4.82 4.07 -1.01 -1.42 120.64 129.31 3f1h n GLU 127 Ca 0.02 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.77 3f1h n GLU 127 Cb 0.63 -0.38 -0.02 0.00 -0.06 0.00 0.00 31.44 31.60 3f1h n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3f1h n ALA 128 N -0.08 6.03 -2.77 4.31 0.00 -1.24 -4.86 120.51 121.90 3f1h n ALA 128 Ca 0.00 -3.11 -0.43 0.00 0.00 0.00 0.00 53.44 49.90 3f1h n ALA 128 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 19.45 16.12 3f1h n ALA 128 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3f1h s PHE 129 N 2.95 2.99 0.13 0.00 0.08 -1.26 -4.82 117.98 118.05 3f1h s PHE 129 Ca 0.56 -1.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 3f1h s PHE 129 Cb 0.15 -4.49 -0.08 0.00 -0.57 0.00 0.00 43.02 38.02 3f1h s PHE 129 CO -0.04 -1.65 1.32 0.00 -0.10 0.00 0.00 175.22 174.75 3f1h h ALA 130 N 8.48 0.38 -1.27 5.36 0.00 -1.98 -3.40 119.26 126.83 3f1h h ALA 130 Ca 0.26 -0.68 -0.52 0.00 0.00 0.00 0.00 54.91 53.97 3f1h h ALA 130 Cb 0.96 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3f1h h ALA 130 CO 1.29 0.78 1.19 0.20 0.00 0.00 0.00 179.25 182.71 3f1h s GLY 131 N -4.35 0.76 0.00 0.00 0.00 -1.26 -4.88 107.32 97.58 3f1h s GLY 131 Ca -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3f1h s GLY 131 CO 0.87 2.89 0.00 3.33 0.00 0.00 0.00 173.10 180.19 3f1h n VAL 132 N 6.80 0.00 -0.96 1.40 0.24 -1.26 -4.55 118.33 119.99 3f1h n VAL 132 Ca 0.16 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.09 3f1h n VAL 132 Cb 0.50 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 3f1h n VAL 132 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3f1h n ASN 133 N -0.11 0.53 -4.48 -1.34 3.02 -1.26 -4.44 115.26 107.18 3f1h n ASN 133 Ca 0.00 0.67 -0.44 0.00 -0.03 0.00 0.00 54.58 54.79 3f1h n ASN 133 Cb 0.00 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 3f1h n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f1h n GLY 134 N 1.95 -0.04 3.15 7.41 0.00 -1.26 -4.82 105.19 111.59 3f1h n GLY 134 Ca 0.16 0.96 0.04 0.00 0.00 0.00 0.00 46.02 47.19 3f1h n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1h s LYS 135 N 7.85 0.47 0.24 1.61 2.47 -1.26 -4.83 119.74 126.29 3f1h s LYS 135 Ca 1.18 0.59 -0.09 0.00 -1.56 0.00 0.00 55.97 56.09 3f1h s LYS 135 Cb -0.89 0.30 0.36 0.00 -1.46 0.00 0.00 37.83 36.14 3f1h s LYS 135 CO 0.44 -0.76 1.37 0.25 0.16 0.00 0.00 175.35 176.81 3f1h n THR 136 N 5.38 -0.39 -0.27 3.43 -2.24 -1.26 0.40 114.28 119.33 3f1h n THR 136 Ca 0.03 2.02 0.08 0.00 -2.27 0.00 0.00 64.05 63.91 3f1h n THR 136 Cb 0.54 -2.77 0.20 0.00 -2.10 0.00 0.00 70.33 66.20 3f1h n THR 136 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3f1h h LYS 137 N 0.00 0.13 0.11 -0.78 1.57 -1.97 0.34 116.57 115.97 3f1h h LYS 137 Ca 0.40 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3f1h h LYS 137 Cb 0.62 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3f1h h LYS 137 CO -0.90 0.08 -0.09 0.93 -0.57 0.00 0.00 179.45 178.90 3f1h h GLU 138 N 0.13 -0.19 -0.96 3.15 5.08 -0.40 -0.08 114.58 121.31 3f1h h GLU 138 Ca 0.46 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 59.08 3f1h h GLU 138 Cb 0.85 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 3f1h h GLU 138 CO -0.68 -0.13 0.65 0.35 -1.00 0.00 0.00 179.01 178.20 3f1h h PHE 139 N -0.20 0.40 0.68 4.33 3.57 -1.34 0.29 116.94 124.67 3f1h h PHE 139 Ca -0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3f1h h PHE 139 Cb 0.17 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3f1h h PHE 139 CO -0.05 0.08 -0.40 1.25 -2.23 0.00 0.00 178.31 176.96 3f1h h LEU 140 N 0.27 -0.98 -1.57 0.59 5.85 0.19 0.31 115.31 119.97 3f1h h LEU 140 Ca 0.50 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.27 3f1h h LEU 140 Cb 1.48 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 3f1h h LEU 140 CO -0.15 -0.63 0.26 0.00 -0.34 0.00 0.00 178.44 177.58 3f1h h ALA 141 N -0.75 1.68 -0.47 1.25 0.00 0.11 -2.01 119.26 119.08 3f1h h ALA 141 Ca -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3f1h h ALA 141 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3f1h h ALA 141 CO 0.10 0.29 0.12 2.35 0.00 0.00 0.00 179.25 182.11 3f1h h TRP 142 N 0.56 0.78 0.00 0.00 7.01 -0.08 -2.47 115.95 121.76 3f1h h TRP 142 Ca 0.15 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 60.98 3f1h h TRP 142 Cb -0.04 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3f1h h TRP 142 CO 0.00 0.71 -0.35 0.00 -2.79 0.00 0.00 178.44 176.02 3f1h h ALA 143 N 0.98 1.29 -0.35 2.65 0.00 0.22 -2.23 119.26 121.82 3f1h h ALA 143 Ca 0.15 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3f1h h ALA 143 Cb 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3f1h h ALA 143 CO 0.00 0.43 0.01 -0.22 0.00 0.00 0.00 179.25 179.47 3f1h h LYS 144 N 0.00 0.10 -0.21 0.00 3.64 -0.90 0.09 116.57 119.29 3f1h h LYS 144 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3f1h h LYS 144 Cb 0.67 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3f1h h LYS 144 CO 0.05 0.07 0.06 1.49 -2.27 0.00 0.00 179.45 178.84 3f1h h GLU 145 N 0.11 0.33 0.00 1.90 4.57 -1.37 -3.01 114.58 117.11 3f1h h GLU 145 Ca 0.17 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3f1h h GLU 145 Cb 0.23 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3f1h h GLU 145 CO -0.28 0.44 0.00 0.00 -1.18 0.00 0.00 179.01 177.99 3f1h n ALA 146 N -2.27 1.02 -0.58 2.92 0.00 -0.65 -4.78 120.51 116.16 3f1h n ALA 146 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3f1h n ALA 146 Cb 0.16 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3f1h n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 147 N -1.36 0.72 3.41 0.00 0.00 -0.66 -5.03 105.19 102.27 3f1h n GLY 147 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3f1h n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1h s LEU 148 N 0.00 5.38 -0.16 0.99 1.43 -0.07 -4.92 118.68 121.33 3f1h s LEU 148 Ca 0.00 -1.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.01 3f1h s LEU 148 Cb 0.00 -2.16 -0.15 0.00 0.03 0.00 0.00 46.19 43.91 3f1h s LEU 148 CO 0.00 -0.56 -0.06 -0.90 0.23 0.00 0.00 176.35 175.06 3f1h n ASP 149 N 5.17 2.04 0.00 2.29 5.75 -1.26 -3.30 116.55 127.24 3f1h n ASP 149 Ca -0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 3f1h n ASP 149 Cb 0.45 0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 3f1h n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f1h n GLY 150 N 2.38 0.18 0.18 6.12 0.00 -1.26 -5.00 105.19 107.79 3f1h n GLY 150 Ca -0.28 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.86 3f1h n GLY 150 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3f1h h SER 151 N 0.00 0.00 -5.01 1.61 0.87 -1.96 -3.46 113.55 105.61 3f1h h SER 151 Ca 0.00 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 3f1h h SER 151 Cb 0.00 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 61.76 3f1h h SER 151 CO 0.00 0.00 -0.69 -1.61 -0.53 0.00 0.00 176.83 174.00 3f1h s GLU 152 N -3.19 0.34 0.18 2.24 2.02 -1.26 -5.14 118.70 113.90 3f1h s GLU 152 Ca 0.08 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 3f1h s GLU 152 Cb 0.07 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.35 3f1h s GLU 152 CO 0.66 -0.06 1.14 -1.54 0.02 0.00 0.00 175.26 175.48 3f1h s SER 153 N -1.60 7.18 -0.16 -0.19 1.04 -1.26 -4.92 113.70 113.79 3f1h s SER 153 Ca -0.14 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3f1h s SER 153 Cb -0.08 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.46 3f1h s SER 153 CO -0.02 -0.29 -0.15 -0.69 0.98 0.00 0.00 173.24 173.07 3f1h s VAL 154 N -0.17 1.66 -0.58 5.02 1.01 0.21 -0.34 120.40 127.21 3f1h s VAL 154 Ca 0.51 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 3f1h s VAL 154 Cb -0.31 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.55 3f1h s VAL 154 CO 0.36 0.44 1.08 -0.22 0.00 0.00 0.00 175.10 176.76 3f1h s LEU 155 N 1.45 3.75 -0.13 3.92 2.96 0.06 -1.42 118.68 129.27 3f1h s LEU 155 Ca 0.04 -0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 3f1h s LEU 155 Cb -0.13 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 3f1h s LEU 155 CO -0.11 -1.38 0.45 -0.22 -1.32 0.00 0.00 176.35 173.77 3f1h s LEU 156 N 4.52 4.27 -0.17 -0.68 2.96 -0.67 -2.81 118.68 126.11 3f1h s LEU 156 Ca 0.36 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3f1h s LEU 156 Cb -0.10 -2.65 0.04 0.00 0.50 0.00 0.00 46.19 43.98 3f1h s LEU 156 CO 0.22 0.01 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.52 3f1h s VAL 157 N 0.62 1.09 0.13 1.68 1.01 -1.07 -1.55 120.40 122.32 3f1h s VAL 157 Ca 0.25 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3f1h s VAL 157 Cb -0.15 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3f1h s VAL 157 CO 0.09 0.11 0.44 0.28 0.00 0.00 0.00 175.10 176.03 3f1h s THR 158 N 1.64 0.06 0.11 3.92 -1.32 -0.83 -1.74 115.64 117.48 3f1h s THR 158 Ca 0.01 -0.48 -0.06 0.00 -1.21 0.00 0.00 61.69 59.95 3f1h s THR 158 Cb -0.15 -1.15 -0.21 0.00 -1.51 0.00 0.00 72.50 69.48 3f1h s THR 158 CO -0.08 -0.26 1.26 1.23 -2.21 0.00 0.00 174.62 174.57 3f1h h GLY 159 N 2.30 0.48 -7.15 6.08 0.00 -1.96 -3.38 103.07 99.44 3f1h h GLY 159 Ca -0.34 -0.89 -0.54 0.00 0.00 0.00 0.00 47.33 45.56 3f1h h GLY 159 CO 0.45 0.79 1.28 0.21 0.00 0.00 0.00 176.54 179.27 3f1h s ASN 160 N -7.13 5.68 0.50 0.19 3.84 -1.26 -4.85 114.94 111.91 3f1h s ASN 160 Ca -0.06 0.78 0.27 0.00 0.21 0.00 0.00 52.86 54.06 3f1h s ASN 160 Cb 0.08 -2.53 1.36 0.00 -0.55 0.00 0.00 41.25 39.61 3f1h s ASN 160 CO 0.88 -1.97 1.87 -0.33 -2.79 0.00 0.00 177.10 174.76 3f1h h GLU 161 N 13.45 0.13 -0.41 0.43 4.39 -1.99 -0.19 114.58 130.39 3f1h h GLU 161 Ca -0.29 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 3f1h h GLU 161 Cb 1.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 3f1h h GLU 161 CO 1.13 0.08 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.94 3f1h h LEU 162 N 0.13 0.75 -0.80 1.33 3.38 -1.92 0.31 115.31 118.49 3f1h h LEU 162 Ca 0.45 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3f1h h LEU 162 Cb 1.56 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 3f1h h LEU 162 CO -0.07 0.91 0.47 0.58 0.09 0.00 0.00 178.44 180.42 3f1h h VAL 163 N 0.57 1.23 0.05 1.22 2.07 -1.30 -1.71 116.25 118.38 3f1h h VAL 163 Ca 0.11 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3f1h h VAL 163 Cb 0.55 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3f1h h VAL 163 CO 0.03 0.24 -0.12 0.03 0.02 0.00 0.00 177.57 177.77 3f1h h ARG 164 N 1.10 -0.18 -0.75 1.57 -0.00 -0.85 -2.05 114.38 113.22 3f1h h ARG 164 Ca 0.29 0.01 0.15 0.00 -0.50 0.00 0.00 59.98 59.93 3f1h h ARG 164 Cb -0.03 0.04 -0.14 0.00 0.00 0.00 0.00 29.97 29.84 3f1h h ARG 164 CO -0.05 -0.12 -0.20 0.54 0.00 0.00 0.00 179.97 180.14 3f1h n ARG 165 N -3.11 -0.08 0.00 0.04 5.12 0.11 -0.32 116.66 118.42 3f1h n ARG 165 Ca -0.02 1.17 0.00 0.00 -1.93 0.00 0.00 57.85 57.07 3f1h n ARG 165 Cb 0.10 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.65 3f1h n ARG 165 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3f1h n ALA 166 N -3.71 -0.15 0.05 7.54 0.00 -0.67 -3.10 120.51 120.47 3f1h n ALA 166 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.74 3f1h n ALA 166 Cb 0.37 0.07 0.69 0.00 0.00 0.00 0.00 19.45 20.58 3f1h n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h h ALA 167 N -1.92 2.38 -0.86 0.00 0.00 -0.76 -3.32 119.26 114.78 3f1h h ALA 167 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.02 3f1h h ALA 167 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 3f1h h ALA 167 CO 0.00 -0.53 -0.40 -0.09 0.00 0.00 0.00 179.25 178.23 3f1h h ARG 168 N 0.00 -0.06 0.00 0.00 2.43 -0.61 -0.37 114.38 115.77 3f1h h ARG 168 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3f1h h ARG 168 Cb 0.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3f1h h ARG 168 CO -0.00 -0.04 0.00 -1.71 -1.51 0.00 0.00 179.97 176.71 3f1h n ASN 169 N -5.43 0.06 -4.75 -3.80 2.85 -1.25 -4.78 115.26 98.16 3f1h n ASN 169 Ca 0.07 0.51 -0.41 0.00 -0.11 0.00 0.00 54.58 54.64 3f1h n ASN 169 Cb 0.37 -0.53 -0.03 0.00 1.24 0.00 0.00 39.78 40.83 3f1h n ASN 169 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3f1h s LEU 170 N -3.14 4.42 0.00 1.20 2.96 -0.15 -4.93 118.68 119.04 3f1h s LEU 170 Ca 0.08 2.50 0.20 0.00 -0.22 0.00 0.00 54.13 56.69 3f1h s LEU 170 Cb 0.11 -3.62 1.03 0.00 0.50 0.00 0.00 46.19 44.20 3f1h s LEU 170 CO 0.31 -0.53 1.68 -0.81 -1.32 0.00 0.00 176.35 175.68 3f1h n PRO 171 N 2.06 1.21 -0.08 0.98 -0.04 -1.26 -3.27 135.00 134.60 3f1h n PRO 171 Ca 0.04 -0.32 0.03 0.00 -0.04 0.00 0.00 63.50 63.21 3f1h n PRO 171 Cb 0.42 -1.33 0.04 0.00 -0.04 0.00 0.00 33.50 32.59 3f1h n PRO 171 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3f1h n TRP 172 N -0.47 0.00 -4.29 0.54 4.27 -1.26 -5.04 117.44 111.20 3f1h n TRP 172 Ca 0.15 -0.49 -0.18 0.00 -3.89 0.00 0.00 57.50 53.09 3f1h n TRP 172 Cb 0.14 -0.07 -0.13 0.00 -1.36 0.00 0.00 31.31 29.89 3f1h n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3f1h s VAL 173 N -1.22 0.84 -0.23 -1.67 1.01 -1.20 -0.62 120.40 117.31 3f1h s VAL 173 Ca 0.09 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3f1h s VAL 173 Cb 0.08 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.75 3f1h s VAL 173 CO 0.01 -0.01 -0.03 0.68 0.00 0.00 0.00 175.10 175.76 3f1h s VAL 174 N -0.72 1.29 0.74 2.92 -7.23 -0.51 -4.75 120.40 112.14 3f1h s VAL 174 Ca -0.00 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 3f1h s VAL 174 Cb -0.07 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.28 3f1h s VAL 174 CO 0.01 -0.16 1.09 0.28 -0.31 0.00 0.00 175.10 176.00 3f1h s THR 175 N 1.50 3.48 -0.30 5.32 -1.32 -1.26 -1.67 115.64 121.40 3f1h s THR 175 Ca -0.04 0.50 -0.20 0.00 -1.21 0.00 0.00 61.69 60.74 3f1h s THR 175 Cb -0.18 -3.05 0.20 0.00 -1.51 0.00 0.00 72.50 67.95 3f1h s THR 175 CO -0.07 -0.61 1.31 -0.22 -2.21 0.00 0.00 174.62 172.82 3f1h s LEU 176 N -5.72 -0.10 0.76 9.08 2.96 -0.59 -4.87 118.68 120.20 3f1h s LEU 176 Ca 0.61 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.58 3f1h s LEU 176 Cb -0.17 1.16 0.05 0.00 0.50 0.00 0.00 46.19 47.73 3f1h s LEU 176 CO 0.54 -0.03 1.09 0.00 -1.32 0.00 0.00 176.35 176.63 3f1h s ALA 177 N 0.60 2.45 0.19 5.97 0.00 -1.26 -1.96 121.76 127.75 3f1h s ALA 177 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 3f1h s ALA 177 Cb -0.04 -3.11 0.21 0.00 0.00 0.00 0.00 23.12 20.18 3f1h s ALA 177 CO -0.12 -1.51 1.70 -1.00 0.00 0.00 0.00 175.76 174.83 3f1h h PRO 178 N -0.93 0.19 0.00 0.00 0.13 -1.91 -1.42 132.00 128.07 3f1h h PRO 178 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3f1h h PRO 178 Cb 1.25 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3f1h h PRO 178 CO 0.59 0.13 0.00 0.93 -0.23 0.00 0.00 178.00 179.42 3f1h h GLU 179 N 0.20 0.00 0.00 0.86 3.07 -1.93 -2.78 114.58 114.00 3f1h h GLU 179 Ca 0.26 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3f1h h GLU 179 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3f1h h GLU 179 CO -0.37 0.00 -0.01 0.78 -1.40 0.00 0.00 179.01 178.01 3f1h h GLY 180 N 1.99 0.00 -4.49 -3.84 0.00 -1.62 -3.46 103.07 91.65 3f1h h GLY 180 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3f1h h GLY 180 CO 0.00 0.00 0.03 1.04 0.00 0.00 0.00 176.54 177.61 3f1h n LEU 181 N -3.11 -0.04 -3.56 3.11 4.77 -1.05 -4.94 117.00 112.19 3f1h n LEU 181 Ca 0.01 0.87 -0.16 0.00 -0.03 0.00 0.00 56.01 56.70 3f1h n LEU 181 Cb 0.33 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 3f1h n LEU 181 CO 0.28 -1.46 0.47 0.54 -1.33 0.00 0.00 177.39 175.89 3f1h s ASN 182 N -0.02 -0.65 0.15 -1.43 2.20 -1.26 -5.07 114.94 108.86 3f1h s ASN 182 Ca 0.68 0.87 -0.18 0.00 -0.94 0.00 0.00 52.86 53.29 3f1h s ASN 182 Cb -0.95 0.75 0.05 0.00 -2.00 0.00 0.00 41.25 39.11 3f1h s ASN 182 CO 0.43 -0.49 1.68 -0.37 -2.94 0.00 0.00 177.10 175.41 3f1h h VAL 183 N 3.22 0.67 -0.36 3.54 -1.51 -1.92 -1.28 116.25 118.61 3f1h h VAL 183 Ca -0.27 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.28 3f1h h VAL 183 Cb 1.15 0.67 -0.09 0.00 -2.13 0.00 0.00 31.29 30.89 3f1h h VAL 183 CO 0.29 0.00 -0.31 0.22 -1.23 0.00 0.00 177.57 176.54 3f1h h TYR 184 N -0.00 -0.86 -0.67 5.19 3.20 -1.94 0.62 116.97 122.51 3f1h h TYR 184 Ca 0.16 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3f1h h TYR 184 Cb 0.24 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3f1h h TYR 184 CO -0.31 -0.38 0.17 -0.44 -1.64 0.00 0.00 178.16 175.56 3f1h h ASP 185 N -0.26 1.01 0.29 -2.11 3.32 -1.88 0.30 116.42 117.09 3f1h h ASP 185 Ca 0.16 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3f1h h ASP 185 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3f1h h ASP 185 CO -0.51 0.97 -0.42 0.40 -1.72 0.00 0.00 179.24 177.97 3f1h h ILE 186 N 0.99 0.16 -0.87 0.35 1.08 -0.05 -2.83 117.51 116.35 3f1h h ILE 186 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.67 3f1h h ILE 186 Cb 0.36 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 3f1h h ILE 186 CO 0.00 0.00 0.51 0.58 -0.69 0.00 0.00 178.15 178.55 3f1h h VAL 187 N -0.77 1.24 -0.18 1.67 2.07 0.58 -3.04 116.25 117.82 3f1h h VAL 187 Ca -0.01 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.01 3f1h h VAL 187 Cb 0.72 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 3f1h h VAL 187 CO -0.14 0.26 -0.39 0.03 0.02 0.00 0.00 177.57 177.35 3f1h h ARG 188 N 1.20 -0.42 -6.62 1.57 3.08 -0.18 -3.42 114.38 109.59 3f1h h ARG 188 Ca 0.31 0.03 -0.51 0.00 0.07 0.00 0.00 59.98 59.88 3f1h h ARG 188 Cb -0.03 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3f1h h ARG 188 CO -0.06 -0.28 0.22 0.95 -1.07 0.00 0.00 179.97 179.73 3f1h s THR 189 N -5.91 4.33 -0.04 2.04 -4.23 -1.10 -4.96 115.64 105.78 3f1h s THR 189 Ca -0.15 1.70 0.31 0.00 -1.18 0.00 0.00 61.69 62.37 3f1h s THR 189 Cb 0.10 -4.09 0.36 0.00 1.34 0.00 0.00 72.50 70.21 3f1h s THR 189 CO 0.65 0.40 1.92 -0.33 -0.54 0.00 0.00 174.62 176.72 3f1h h GLU 190 N 3.95 0.00 -3.34 3.99 5.08 -1.72 -3.43 114.58 119.09 3f1h h GLU 190 Ca -0.47 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.56 3f1h h GLU 190 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.08 3f1h h GLU 190 CO 0.66 0.00 -0.72 0.50 -1.00 0.00 0.00 179.01 178.45 3f1h s ARG 191 N -3.58 -0.05 -0.12 2.33 3.52 0.54 -4.90 118.95 116.70 3f1h s ARG 191 Ca 0.02 0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.85 3f1h s ARG 191 Cb 0.09 -0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.04 3f1h s ARG 191 CO 0.51 -0.27 0.24 -1.17 -0.81 0.00 0.00 175.30 173.80 3f1h s LEU 192 N 1.81 4.34 -0.11 -0.88 0.20 -1.26 -0.76 118.68 122.02 3f1h s LEU 192 Ca -0.00 0.55 -0.07 0.00 0.69 0.00 0.00 54.13 55.30 3f1h s LEU 192 Cb -0.12 -2.28 0.04 0.00 -0.43 0.00 0.00 46.19 43.40 3f1h s LEU 192 CO -0.03 0.26 0.27 -0.69 -0.29 0.00 0.00 176.35 175.87 3f1h s VAL 193 N -0.37 -0.03 0.11 1.68 1.01 -1.12 -2.12 120.40 119.56 3f1h s VAL 193 Ca 0.16 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 3f1h s VAL 193 Cb -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.86 3f1h s VAL 193 CO 0.05 0.04 0.29 0.00 0.00 0.00 0.00 175.10 175.47 3f1h s MET 194 N 0.90 0.95 0.67 2.72 0.23 -1.01 -2.59 119.30 121.17 3f1h s MET 194 Ca -0.06 -0.86 -0.15 0.00 -1.03 0.00 0.00 55.69 53.59 3f1h s MET 194 Cb -0.07 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.63 3f1h s MET 194 CO -0.06 -0.34 1.12 0.34 -2.03 0.00 0.00 175.02 174.05 3f1h s ASP 195 N -2.84 4.99 0.09 -1.18 -1.08 -0.71 -0.16 116.67 115.78 3f1h s ASP 195 Ca 0.04 2.04 -0.17 0.00 -0.52 0.00 0.00 52.55 53.94 3f1h s ASP 195 Cb 0.03 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 3f1h s ASP 195 CO -0.11 -1.71 1.53 -0.07 0.52 0.00 0.00 175.17 175.32 3f1h h LEU 196 N -0.02 0.50 -1.44 -1.34 3.38 -1.60 0.15 115.31 114.94 3f1h h LEU 196 Ca -0.47 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 57.31 3f1h h LEU 196 Cb 1.25 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3f1h h LEU 196 CO 0.53 0.70 0.52 0.44 0.09 0.00 0.00 178.44 180.72 3f1h h ASP 197 N 0.30 0.54 0.48 -0.43 3.32 -1.93 0.33 116.42 119.03 3f1h h ASP 197 Ca 0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3f1h h ASP 197 Cb 0.45 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3f1h h ASP 197 CO 0.02 0.30 -0.23 0.00 -1.72 0.00 0.00 179.24 177.60 3f1h h ALA 198 N 1.62 -0.64 -0.94 3.45 0.00 -1.81 -2.35 119.26 118.60 3f1h h ALA 198 Ca 0.38 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.37 3f1h h ALA 198 Cb 0.66 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3f1h h ALA 198 CO -0.14 -0.61 0.63 2.35 0.00 0.00 0.00 179.25 181.48 3f1h h TRP 199 N -1.14 0.43 0.69 0.00 7.01 -0.17 0.61 115.95 123.39 3f1h h TRP 199 Ca -0.07 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 3f1h h TRP 199 Cb 0.52 -0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.46 3f1h h TRP 199 CO 0.01 0.09 -0.33 1.49 -2.79 0.00 0.00 178.44 176.91 3f1h h GLU 200 N 0.31 -0.90 0.00 2.65 4.81 -0.36 -1.50 114.58 119.59 3f1h h GLU 200 Ca 0.49 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 3f1h h GLU 200 Cb 1.38 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3f1h h GLU 200 CO -0.16 -0.57 0.00 1.55 -0.73 0.00 0.00 179.01 179.10 3f1h n VAL 201 N -5.44 0.51 -0.02 0.32 3.14 -0.30 -0.36 118.33 116.16 3f1h n VAL 201 Ca -0.13 0.13 -0.20 0.00 -2.96 0.00 0.00 64.34 61.17 3f1h n VAL 201 Cb 0.39 -1.02 -0.13 0.00 -1.06 0.00 0.00 33.84 32.02 3f1h n VAL 201 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3f1h h PHE 202 N 0.00 0.29 -0.34 1.45 3.57 -0.37 -3.26 116.94 118.28 3f1h h PHE 202 Ca 0.00 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 3f1h h PHE 202 Cb 0.04 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3f1h h PHE 202 CO 0.00 1.45 0.03 1.96 -2.23 0.00 0.00 178.31 179.52 3f1h h GLN 203 N -0.55 0.52 -0.29 1.11 1.08 0.24 -1.34 115.11 115.87 3f1h h GLN 203 Ca -0.26 -0.10 0.07 0.00 -1.45 0.00 0.00 58.65 56.91 3f1h h GLN 203 Cb 1.55 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.82 3f1h h GLN 203 CO -0.00 0.52 -0.29 -0.97 -0.95 0.00 0.00 178.83 177.14 3f1h h ASN 204 N 0.50 -0.95 -0.64 1.46 -0.73 -0.82 -1.70 115.58 112.70 3f1h h ASN 204 Ca 0.11 0.16 -0.00 0.00 1.87 0.00 0.00 56.30 58.44 3f1h h ASN 204 Cb 0.28 0.44 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 3f1h h ASN 204 CO 0.01 -0.31 0.39 0.03 -0.37 0.00 0.00 177.43 177.17 3f1h h ARG 205 N -0.28 0.86 -2.46 6.67 3.08 -1.45 -3.42 114.38 117.38 3f1h h ARG 205 Ca 0.15 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3f1h h ARG 205 Cb 0.51 -0.18 -0.25 0.00 0.08 0.00 0.00 29.97 30.12 3f1h h ARG 205 CO -0.45 0.61 -0.25 0.96 -1.07 0.00 0.00 179.97 179.77 3f1h s ILE 206 N -6.01 -0.23 0.00 2.04 -4.36 -0.56 -5.09 121.20 106.98 3f1h s ILE 206 Ca -0.13 0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 3f1h s ILE 206 Cb 0.13 -0.71 0.00 0.00 1.25 0.00 0.00 42.46 43.13 3f1h s ILE 206 CO 0.77 0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.60