#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2m s LEU 7 N 0.00 3.93 -0.02 -0.35 1.43 -1.26 -5.08 118.68 117.34 1f2m s LEU 7 Ca 0.00 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 1f2m s LEU 7 Cb 0.00 -4.31 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 1f2m s LEU 7 CO 0.00 -0.34 -0.14 -2.28 0.23 0.00 0.00 176.35 173.83 1f2m s HIS 8 N -2.19 1.27 0.07 0.29 5.65 -1.26 -5.11 115.29 114.01 1f2m s HIS 8 Ca 0.58 -0.27 -0.19 0.00 0.25 0.00 0.00 55.06 55.42 1f2m s HIS 8 Cb -0.10 -0.83 -0.07 0.00 -1.18 0.00 0.00 32.58 30.40 1f2m s HIS 8 CO 0.19 -0.05 0.57 0.15 -0.65 0.00 0.00 174.74 174.95 1f2m s LYS 9 N -0.20 4.20 0.07 2.88 1.02 -1.26 -4.31 119.74 122.14 1f2m s LYS 9 Ca 0.03 0.74 0.06 0.00 0.02 0.00 0.00 55.97 56.82 1f2m s LYS 9 Cb -0.07 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1f2m s LYS 9 CO -0.00 0.64 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.69 1f2m s GLU 10 N -1.10 0.99 0.58 1.68 2.02 -0.02 -4.94 118.70 117.91 1f2m s GLU 10 Ca 0.29 -0.95 -0.15 0.00 0.02 0.00 0.00 54.97 54.18 1f2m s GLU 10 Cb -0.20 -1.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 1f2m s GLU 10 CO 0.19 0.25 1.03 -1.25 0.02 0.00 0.00 175.26 175.51 1f2m s PRO 11 N -1.55 3.52 0.29 0.39 0.04 -1.26 0.02 135.00 136.44 1f2m s PRO 11 Ca 0.02 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 1f2m s PRO 11 Cb -0.09 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1f2m s PRO 11 CO 0.02 -0.64 0.56 0.00 0.04 0.00 0.00 177.00 176.98 1f2m s ALA 12 N -2.65 -0.28 -0.06 8.56 0.00 -0.87 -4.71 121.76 121.74 1f2m s ALA 12 Ca 0.60 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1f2m s ALA 12 Cb -0.13 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1f2m s ALA 12 CO 0.39 -0.89 -0.09 0.99 0.00 0.00 0.00 175.76 176.16 1f2m s THR 13 N -3.61 0.90 0.27 0.00 2.01 -0.32 -4.36 115.64 110.53 1f2m s THR 13 Ca 0.21 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1f2m s THR 13 Cb -0.02 -0.87 -0.12 0.00 0.01 0.00 0.00 72.50 71.51 1f2m s THR 13 CO 0.11 0.31 1.63 -0.22 -0.69 0.00 0.00 174.62 175.76 1f2m s LEU 14 N 0.89 4.35 -0.06 4.42 2.96 -1.26 -0.09 118.68 129.89 1f2m s LEU 14 Ca -0.11 2.94 -0.09 0.00 -0.22 0.00 0.00 54.13 56.65 1f2m s LEU 14 Cb -0.15 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1f2m s LEU 14 CO 0.01 -0.94 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.54 1f2m n ILE 15 N 2.62 1.28 -3.63 6.68 5.41 -0.73 -4.79 119.36 126.20 1f2m n ILE 15 Ca 0.10 0.20 -0.11 0.00 1.00 0.00 0.00 62.75 63.94 1f2m n ILE 15 Cb 0.37 -1.94 -0.07 0.00 -0.71 0.00 0.00 39.64 37.29 1f2m n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1f2m s LYS 16 N -2.44 0.77 -0.08 0.38 2.20 -0.99 -5.02 119.74 114.58 1f2m s LYS 16 Ca -0.16 1.07 -0.28 0.00 -0.36 0.00 0.00 55.97 56.25 1f2m s LYS 16 Cb 0.03 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 1f2m s LYS 16 CO 0.23 -0.12 0.91 0.00 -0.36 0.00 0.00 175.35 176.01 1f2m s ALA 17 N 0.89 3.33 -0.26 3.13 0.00 -1.26 -0.27 121.76 127.32 1f2m s ALA 17 Ca -0.04 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1f2m s ALA 17 Cb -0.05 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.63 1f2m s ALA 17 CO -0.08 -0.40 -0.25 -0.89 0.00 0.00 0.00 175.76 174.14 1f2m n ILE 18 N 4.24 1.48 -3.86 0.00 2.08 -0.61 -4.93 119.36 117.76 1f2m n ILE 18 Ca 0.05 -0.53 -0.10 0.00 0.56 0.00 0.00 62.75 62.73 1f2m n ILE 18 Cb 0.50 -1.50 0.01 0.00 -0.75 0.00 0.00 39.64 37.90 1f2m n ILE 18 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1f2m s ASP 19 N -6.68 0.19 0.48 4.38 3.68 -0.13 -4.95 116.67 113.64 1f2m s ASP 19 Ca -0.35 -1.22 0.15 0.00 2.13 0.00 0.00 52.55 53.25 1f2m s ASP 19 Cb 0.10 0.82 1.14 0.00 -1.45 0.00 0.00 42.92 43.53 1f2m s ASP 19 CO 0.57 -1.63 2.08 1.23 0.13 0.00 0.00 175.17 177.55 1f2m h GLY 20 N 2.02 0.01 -1.26 2.66 0.00 -1.82 -2.99 103.07 101.69 1f2m h GLY 20 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1f2m h GLY 20 CO 0.40 0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.04 1f2m n ASP 21 N -4.44 2.81 -3.78 0.19 3.85 -1.26 -4.77 116.55 109.16 1f2m n ASP 21 Ca -0.03 -1.92 -0.14 0.00 -0.71 0.00 0.00 54.79 51.99 1f2m n ASP 21 Cb 0.16 -0.20 -0.15 0.00 -1.35 0.00 0.00 41.12 39.57 1f2m n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1f2m s THR 22 N -0.99 -0.05 0.01 2.12 2.01 -1.13 -1.28 115.64 116.33 1f2m s THR 22 Ca 0.22 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1f2m s THR 22 Cb 0.12 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.50 1f2m s THR 22 CO 0.16 0.07 -0.02 0.68 -0.69 0.00 0.00 174.62 174.82 1f2m s VAL 23 N 0.92 0.06 -0.18 3.82 -7.23 -0.55 -0.96 120.40 116.28 1f2m s VAL 23 Ca -0.07 -0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 59.57 1f2m s VAL 23 Cb -0.10 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 1f2m s VAL 23 CO -0.03 -0.23 0.15 -0.75 -0.31 0.00 0.00 175.10 173.93 1f2m s LYS 24 N -0.68 4.04 0.19 4.82 2.20 0.63 -0.14 119.74 130.81 1f2m s LYS 24 Ca -0.07 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.41 1f2m s LYS 24 Cb -0.05 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1f2m s LYS 24 CO -0.00 0.40 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.83 1f2m s LEU 25 N 0.07 2.32 -0.37 5.43 1.43 1.00 -1.77 118.68 126.79 1f2m s LEU 25 Ca 0.10 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 51.94 1f2m s LEU 25 Cb -0.11 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1f2m s LEU 25 CO -0.00 -0.45 0.26 -0.32 0.23 0.00 0.00 176.35 176.07 1f2m s MET 26 N -3.82 3.22 -0.12 1.70 -2.45 0.87 0.10 119.30 118.80 1f2m s MET 26 Ca 0.23 -0.83 0.00 0.00 -1.25 0.00 0.00 55.69 53.84 1f2m s MET 26 Cb 0.04 -3.86 0.02 0.00 1.25 0.00 0.00 34.83 32.28 1f2m s MET 26 CO 0.05 -0.59 -0.10 -0.47 1.05 0.00 0.00 175.02 174.96 1f2m s TYR 27 N 1.69 1.72 -1.38 4.11 5.04 -0.45 -1.17 117.35 126.91 1f2m s TYR 27 Ca 0.05 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 53.76 1f2m s TYR 27 Cb -0.18 -1.34 0.02 0.00 0.35 0.00 0.00 41.96 40.81 1f2m s TYR 27 CO 0.10 -0.54 0.74 1.63 -1.34 0.00 0.00 175.55 176.13 1f2m n LYS 28 N 4.76 -4.85 -0.33 4.97 5.02 -1.26 -1.65 118.16 124.82 1f2m n LYS 28 Ca -0.15 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1f2m n LYS 28 Cb 0.50 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 1f2m n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f2m n GLY 29 N -1.65 1.61 3.21 0.72 0.00 -1.26 -4.98 105.19 102.84 1f2m n GLY 29 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1f2m n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f2m s GLN 30 N -0.11 2.42 0.36 1.61 0.00 -0.66 -5.11 119.66 118.17 1f2m s GLN 30 Ca 0.00 -0.80 -0.28 0.00 -0.00 0.00 0.00 55.36 54.28 1f2m s GLN 30 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 33.01 30.91 1f2m s GLN 30 CO 0.00 0.29 1.37 -2.14 0.00 0.00 0.00 175.29 174.81 1f2m s PRO 31 N 0.03 4.23 -0.12 9.60 0.02 -1.26 -1.34 135.00 146.15 1f2m s PRO 31 Ca -0.07 2.34 -0.21 0.00 0.02 0.00 0.00 61.00 63.08 1f2m s PRO 31 Cb -0.14 -3.00 0.05 0.00 0.02 0.00 0.00 34.50 31.43 1f2m s PRO 31 CO 0.04 -0.35 0.53 1.41 -0.33 0.00 0.00 177.00 178.31 1f2m s MET 32 N -1.95 0.75 -0.10 5.54 1.75 0.12 -4.91 119.30 120.50 1f2m s MET 32 Ca 0.51 0.42 -0.18 0.00 -1.25 0.00 0.00 55.69 55.19 1f2m s MET 32 Cb -0.42 0.36 -0.04 0.00 2.84 0.00 0.00 34.83 37.56 1f2m s MET 32 CO 0.56 -0.16 0.46 0.99 -0.65 0.00 0.00 175.02 176.22 1f2m s THR 33 N -0.45 5.17 -0.10 10.11 2.01 -1.26 -0.00 115.64 131.11 1f2m s THR 33 Ca -0.06 0.92 0.01 0.00 0.31 0.00 0.00 61.69 62.87 1f2m s THR 33 Cb -0.03 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1f2m s THR 33 CO 0.04 0.36 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.83 1f2m s PHE 34 N 0.40 2.77 -0.23 4.92 0.40 0.81 -0.40 117.98 126.65 1f2m s PHE 34 Ca 0.25 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 1f2m s PHE 34 Cb -0.15 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1f2m s PHE 34 CO 0.10 -0.10 0.11 0.50 0.70 0.00 0.00 175.22 176.54 1f2m s ARG 35 N 0.01 3.93 -0.13 0.44 6.06 0.27 -1.48 118.95 128.06 1f2m s ARG 35 Ca -0.04 -0.35 -0.29 0.00 -2.50 0.00 0.00 55.73 52.55 1f2m s ARG 35 Cb -0.14 -3.41 -0.04 0.00 0.06 0.00 0.00 34.95 31.42 1f2m s ARG 35 CO 0.04 0.04 1.69 -0.51 -2.50 0.00 0.00 175.30 174.06 1f2m s LEU 36 N 1.07 4.10 0.44 -0.88 1.43 -0.41 -2.77 118.68 121.66 1f2m s LEU 36 Ca 0.06 1.99 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 1f2m s LEU 36 Cb -0.14 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 1f2m s LEU 36 CO 0.04 -1.13 1.45 -0.76 0.23 0.00 0.00 176.35 176.18 1f2m s LEU 37 N 4.79 4.15 -0.88 1.79 1.43 -0.18 -3.69 118.68 126.09 1f2m s LEU 37 Ca 0.75 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.81 1f2m s LEU 37 Cb -0.30 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1f2m s LEU 37 CO 0.30 -1.13 0.00 0.18 0.23 0.00 0.00 176.35 175.93 1f2m n LEU 38 N -0.08 -0.20 -4.05 1.79 4.77 -1.26 -4.91 117.00 113.05 1f2m n LEU 38 Ca 0.04 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 1f2m n LEU 38 Cb 0.41 -2.25 -0.14 0.00 -2.33 0.00 0.00 43.42 39.12 1f2m n LEU 38 CO 0.60 -0.84 -0.43 0.68 -1.33 0.00 0.00 177.39 176.07 1f2m s VAL 39 N -1.90 0.75 -0.18 4.08 -7.23 -1.24 -1.73 120.40 112.95 1f2m s VAL 39 Ca 0.00 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1f2m s VAL 39 Cb 0.00 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.29 1f2m s VAL 39 CO 0.00 0.07 -0.19 -1.81 -0.31 0.00 0.00 175.10 172.87 1f2m s ASP 40 N -0.59 3.24 0.21 4.85 1.01 -0.04 -4.74 116.67 120.62 1f2m s ASP 40 Ca 0.01 -0.64 0.08 0.00 0.71 0.00 0.00 52.55 52.72 1f2m s ASP 40 Cb -0.05 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 1f2m s ASP 40 CO 0.00 -0.00 0.03 0.42 0.21 0.00 0.00 175.17 175.83 1f2m s THR 41 N 1.30 3.77 0.27 -1.27 -4.23 -1.26 -1.36 115.64 112.86 1f2m s THR 41 Ca 0.05 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.70 1f2m s THR 41 Cb -0.13 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.66 1f2m s THR 41 CO -0.12 -0.23 1.32 -2.84 -0.54 0.00 0.00 174.62 172.21 1f2m s PRO 42 N -3.31 4.37 0.27 3.99 0.02 -1.26 -4.98 135.00 134.10 1f2m s PRO 42 Ca 0.30 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.51 1f2m s PRO 42 Cb -0.08 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1f2m s PRO 42 CO 0.20 -0.23 0.41 -1.21 -0.33 0.00 0.00 177.00 175.85 1f2m s GLU 43 N -0.93 3.44 -0.04 5.54 2.02 -1.26 -4.31 118.70 123.16 1f2m s GLU 43 Ca 0.53 -0.66 0.07 0.00 0.02 0.00 0.00 54.97 54.94 1f2m s GLU 43 Cb -0.39 -2.83 -0.11 0.00 0.10 0.00 0.00 34.13 30.91 1f2m s GLU 43 CO 0.45 0.34 0.12 0.25 0.02 0.00 0.00 175.26 176.44 1f2m n THR 44 N -1.52 0.20 -1.66 3.63 -2.24 -1.21 -0.96 114.28 110.52 1f2m n THR 44 Ca -0.08 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1f2m n THR 44 Cb 0.57 -0.12 0.13 0.00 -2.10 0.00 0.00 70.33 68.80 1f2m n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f2m n LYS 45 N -1.97 2.47 -2.13 -0.78 5.02 -1.18 -3.86 118.16 115.71 1f2m n LYS 45 Ca -0.06 -3.55 -0.42 0.00 -2.02 0.00 0.00 58.31 52.26 1f2m n LYS 45 Cb 0.42 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 1f2m n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1f2m s HIS 46 N -3.43 3.00 0.59 2.13 2.46 -0.75 -4.91 115.29 114.38 1f2m s HIS 46 Ca 0.48 0.80 0.29 0.00 0.47 0.00 0.00 55.06 57.10 1f2m s HIS 46 Cb 0.41 -3.73 1.73 0.00 -0.13 0.00 0.00 32.58 30.86 1f2m s HIS 46 CO -0.00 -2.69 2.17 -1.00 -2.47 0.00 0.00 174.74 170.75 1f2m h PRO 47 N 7.33 0.00 0.00 2.88 0.13 -1.96 -0.34 132.00 140.03 1f2m h PRO 47 Ca -0.41 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 1f2m h PRO 47 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1f2m h PRO 47 CO 0.89 0.00 -1.64 1.63 -0.23 0.00 0.00 178.00 178.64 1f2m n LYS 48 N -3.82 0.72 -0.08 0.86 5.02 -1.26 -4.81 118.16 114.79 1f2m n LYS 48 Ca -0.01 0.05 -0.08 0.00 -2.02 0.00 0.00 58.31 56.26 1f2m n LYS 48 Cb 0.21 -1.23 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1f2m n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1f2m n LYS 49 N -2.74 0.68 0.00 1.97 5.02 -1.24 -5.06 118.16 116.80 1f2m n LYS 49 Ca -0.19 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1f2m n LYS 49 Cb 0.73 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1f2m n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f2m n GLY 50 N 1.68 1.47 3.33 0.72 0.00 -0.14 -4.79 105.19 107.47 1f2m n GLY 50 Ca -0.29 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1f2m n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f2m s VAL 51 N 0.00 3.74 0.61 1.61 1.01 -1.25 -1.80 120.40 124.32 1f2m s VAL 51 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1f2m s VAL 51 Cb 0.00 -2.86 0.10 0.00 0.00 0.00 0.00 36.38 33.63 1f2m s VAL 51 CO 0.00 0.20 0.84 -0.62 0.00 0.00 0.00 175.10 175.52 1f2m n GLU 52 N 4.83 0.50 -2.44 2.72 1.02 -0.14 -4.99 120.64 122.14 1f2m n GLU 52 Ca -0.16 -3.11 -0.41 0.00 -0.02 0.00 0.00 57.16 53.47 1f2m n GLU 52 Cb 0.49 -0.30 -0.04 0.00 -0.02 0.00 0.00 31.44 31.57 1f2m n GLU 52 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1f2m s LYS 53 N -4.72 4.58 0.00 3.49 2.20 -1.26 -2.49 119.74 121.54 1f2m s LYS 53 Ca 0.62 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1f2m s LYS 53 Cb -0.05 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1f2m s LYS 53 CO 0.40 0.09 0.00 0.66 -0.36 0.00 0.00 175.35 176.13 1f2m n TYR 54 N 1.77 0.00 0.04 4.03 4.01 -1.26 -4.69 117.16 121.06 1f2m n TYR 54 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 1f2m n TYR 54 Cb 0.45 -0.59 -0.07 0.00 -0.31 0.00 0.00 39.34 38.81 1f2m n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1f2m h GLY 55 N 0.00 -0.02 1.77 2.72 0.00 -1.67 0.06 103.07 105.93 1f2m h GLY 55 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1f2m h GLY 55 CO 0.00 -0.01 -0.10 -2.55 0.00 0.00 0.00 176.54 173.89 1f2m h PRO 56 N -0.08 0.28 -0.05 4.80 0.11 -1.87 -1.71 132.00 133.48 1f2m h PRO 56 Ca -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1f2m h PRO 56 Cb 0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 1f2m h PRO 56 CO 0.00 0.40 0.00 0.93 -0.21 0.00 0.00 178.00 179.12 1f2m h GLU 57 N 0.27 0.09 -0.35 1.05 3.07 -1.85 -1.51 114.58 115.36 1f2m h GLU 57 Ca 0.06 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1f2m h GLU 57 Cb 0.35 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1f2m h GLU 57 CO 0.02 0.36 0.13 0.00 -1.40 0.00 0.00 179.01 178.11 1f2m h ALA 58 N 0.73 0.45 -0.83 3.43 0.00 -0.80 -0.77 119.26 121.47 1f2m h ALA 58 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1f2m h ALA 58 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1f2m h ALA 58 CO 0.00 0.06 0.47 0.77 0.00 0.00 0.00 179.25 180.56 1f2m h SER 59 N 0.41 1.02 -0.32 0.00 0.02 -1.31 -1.58 113.55 111.79 1f2m h SER 59 Ca 0.11 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1f2m h SER 59 Cb 0.20 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1f2m h SER 59 CO -0.01 0.80 -0.16 0.00 -1.14 0.00 0.00 176.83 176.32 1f2m h ALA 60 N 1.37 0.45 -0.04 3.77 0.00 -1.04 -1.43 119.26 122.34 1f2m h ALA 60 Ca 0.30 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1f2m h ALA 60 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1f2m h ALA 60 CO -0.05 0.36 -0.03 0.35 0.00 0.00 0.00 179.25 179.88 1f2m h PHE 61 N 0.43 -0.06 -0.38 0.00 3.57 -0.79 -0.36 116.94 119.35 1f2m h PHE 61 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1f2m h PHE 61 Cb 0.69 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1f2m h PHE 61 CO 0.06 -0.04 0.20 1.15 -2.23 0.00 0.00 178.31 177.45 1f2m h THR 62 N -0.03 1.15 -0.16 4.41 2.02 -1.29 -1.89 112.91 117.12 1f2m h THR 62 Ca 0.03 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1f2m h THR 62 Cb 0.07 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1f2m h THR 62 CO -0.06 0.16 0.03 0.50 0.37 0.00 0.00 175.52 176.53 1f2m h LYS 63 N 0.48 0.10 -0.68 6.66 3.64 -1.05 -1.66 116.57 124.05 1f2m h LYS 63 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1f2m h LYS 63 Cb 0.08 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1f2m h LYS 63 CO -0.02 0.06 0.24 -0.22 -2.27 0.00 0.00 179.45 177.24 1f2m h LYS 64 N 0.10 1.04 -0.43 1.90 3.64 -0.99 -1.19 116.57 120.64 1f2m h LYS 64 Ca 0.07 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1f2m h LYS 64 Cb 0.06 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1f2m h LYS 64 CO -0.09 0.89 0.25 1.98 -2.27 0.00 0.00 179.45 180.20 1f2m h MET 65 N 0.98 0.60 0.09 1.90 4.05 -1.01 -1.47 114.93 120.07 1f2m h MET 65 Ca 0.22 -0.06 -0.26 0.00 -0.28 0.00 0.00 59.70 59.32 1f2m h MET 65 Cb 0.26 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1f2m h MET 65 CO -0.01 0.46 -1.13 -0.39 0.23 0.00 0.00 176.91 176.07 1f2m h VAL 66 N 0.57 1.46 -0.06 -5.77 -1.51 -1.24 -3.16 116.25 106.54 1f2m h VAL 66 Ca 0.15 -2.82 -0.11 0.00 -1.23 0.00 0.00 66.70 62.69 1f2m h VAL 66 Cb 0.03 2.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 1f2m h VAL 66 CO -0.03 0.83 -0.47 -0.33 -1.23 0.00 0.00 177.57 176.34 1f2m h GLU 67 N 0.13 0.15 0.00 5.19 5.08 -1.14 -2.97 114.58 121.02 1f2m h GLU 67 Ca -0.12 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1f2m h GLU 67 Cb 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1f2m h GLU 67 CO 0.19 0.59 -0.33 0.09 -1.00 0.00 0.00 179.01 178.55 1f2m n ASN 68 N -3.98 0.52 -4.77 1.42 5.03 -0.56 -4.90 115.26 108.02 1f2m n ASN 68 Ca -0.02 0.20 -0.37 0.00 0.87 0.00 0.00 54.58 55.26 1f2m n ASN 68 Cb 0.51 -0.15 -0.01 0.00 -1.02 0.00 0.00 39.78 39.11 1f2m n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f2m s ALA 69 N -3.08 2.99 -0.56 5.41 0.00 -1.12 -4.95 121.76 120.45 1f2m s ALA 69 Ca 0.10 0.95 0.21 0.00 0.00 0.00 0.00 51.96 53.22 1f2m s ALA 69 Cb 0.15 -3.39 -0.27 0.00 0.00 0.00 0.00 23.12 19.61 1f2m s ALA 69 CO 0.65 -0.67 0.70 0.36 0.00 0.00 0.00 175.76 176.80 1f2m n LYS 70 N -0.44 0.37 -3.65 0.00 2.85 -1.26 -4.87 118.16 111.16 1f2m n LYS 70 Ca 0.07 -0.09 -0.18 0.00 -1.05 0.00 0.00 58.31 57.07 1f2m n LYS 70 Cb 0.48 -1.49 -0.16 0.00 -0.65 0.00 0.00 35.03 33.21 1f2m n LYS 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1f2m s LYS 71 N -3.19 0.04 -0.09 -1.58 1.02 -1.26 -5.04 119.74 109.64 1f2m s LYS 71 Ca 0.01 0.47 -0.00 0.00 0.02 0.00 0.00 55.97 56.47 1f2m s LYS 71 Cb 0.15 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.96 1f2m s LYS 71 CO 0.87 -0.36 -0.07 0.42 -0.92 0.00 0.00 175.35 175.29 1f2m s ILE 72 N 2.27 3.70 0.01 2.17 1.01 -1.26 -0.66 121.20 128.45 1f2m s ILE 72 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1f2m s ILE 72 Cb -0.13 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1f2m s ILE 72 CO -0.06 0.57 -0.10 -1.61 0.00 0.00 0.00 174.94 173.74 1f2m s GLU 73 N -0.47 0.75 -0.03 2.79 2.02 -0.33 -2.05 118.70 121.38 1f2m s GLU 73 Ca 0.07 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1f2m s GLU 73 Cb -0.12 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.37 1f2m s GLU 73 CO 0.02 0.18 -0.05 0.14 0.02 0.00 0.00 175.26 175.57 1f2m s VAL 74 N -0.58 3.80 -0.24 2.63 -7.23 0.10 -0.29 120.40 118.59 1f2m s VAL 74 Ca 0.01 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1f2m s VAL 74 Cb -0.06 -2.61 0.07 0.00 0.56 0.00 0.00 36.38 34.34 1f2m s VAL 74 CO 0.00 0.50 0.02 -0.70 -0.31 0.00 0.00 175.10 174.61 1f2m s GLU 75 N -1.14 1.04 0.57 4.82 2.12 0.53 -0.84 118.70 125.81 1f2m s GLU 75 Ca 0.15 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 1f2m s GLU 75 Cb -0.11 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.93 1f2m s GLU 75 CO 0.05 -0.72 1.04 -0.06 -0.54 0.00 0.00 175.26 175.03 1f2m s PHE 76 N 1.60 3.08 0.00 5.30 0.40 -1.26 -0.59 117.98 126.51 1f2m s PHE 76 Ca 0.00 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 1f2m s PHE 76 Cb -0.18 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.38 1f2m s PHE 76 CO -0.11 -0.94 0.00 -3.47 0.70 0.00 0.00 175.22 171.39 1f2m n ASP 77 N -1.84 0.00 0.08 1.36 4.64 -1.26 -4.64 116.55 114.90 1f2m n ASP 77 Ca 0.08 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.61 1f2m n ASP 77 Cb 0.53 0.00 0.13 0.00 -1.04 0.00 0.00 41.12 40.74 1f2m n ASP 77 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1f2m h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.96 -3.47 116.57 112.04 1f2m h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f2m h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1f2m h LYS 78 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1f2m n GLY 79 N 1.28 1.47 3.76 3.86 0.00 -1.26 -4.91 105.19 109.39 1f2m n GLY 79 Ca 0.03 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1f2m n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f2m s GLN 80 N 3.83 3.20 0.00 1.61 0.00 -1.26 -4.97 119.66 122.08 1f2m s GLN 80 Ca 0.00 1.73 0.17 0.00 -0.00 0.00 0.00 55.36 57.26 1f2m s GLN 80 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 33.01 30.98 1f2m s GLN 80 CO 0.00 -1.00 0.85 0.54 0.00 0.00 0.00 175.29 175.69 1f2m n ARG 81 N -1.37 1.63 -4.03 9.60 1.74 -1.26 -4.81 116.66 118.16 1f2m n ARG 81 Ca 0.12 -0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 56.38 1f2m n ARG 81 Cb 0.50 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.52 1f2m n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1f2m s THR 82 N -2.06 0.29 0.75 0.55 -4.23 -1.26 -0.08 115.64 109.59 1f2m s THR 82 Ca 0.13 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1f2m s THR 82 Cb 0.13 -0.32 0.15 0.00 1.34 0.00 0.00 72.50 73.80 1f2m s THR 82 CO 0.46 -0.19 1.03 1.51 -0.54 0.00 0.00 174.62 176.90 1f2m s ASP 83 N -0.80 4.16 0.62 3.99 -4.77 0.23 -4.88 116.67 115.22 1f2m s ASP 83 Ca -0.06 -0.44 0.33 0.00 -3.30 0.00 0.00 52.55 49.09 1f2m s ASP 83 Cb -0.06 0.15 1.88 0.00 -1.09 0.00 0.00 42.92 43.80 1f2m s ASP 83 CO -0.00 -2.00 2.16 0.07 0.70 0.00 0.00 175.17 176.10 1f2m h LYS 84 N -0.64 0.00 -0.28 2.11 2.10 -2.02 0.45 116.57 118.29 1f2m h LYS 84 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1f2m h LYS 84 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1f2m h LYS 84 CO 0.38 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.49 1f2m n TYR 85 N -3.48 0.36 -1.00 0.07 4.02 -1.26 -4.91 117.16 110.97 1f2m n TYR 85 Ca -0.01 -0.18 -0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1f2m n TYR 85 Cb 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1f2m n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1f2m n GLY 86 N 1.11 0.46 3.76 2.72 0.00 0.15 -5.03 105.19 108.35 1f2m n GLY 86 Ca 0.14 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1f2m n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f2m s ARG 87 N -0.66 4.37 0.44 1.61 0.52 -1.26 -4.73 118.95 119.24 1f2m s ARG 87 Ca 0.00 0.82 -0.25 0.00 -0.52 0.00 0.00 55.73 55.78 1f2m s ARG 87 Cb 0.00 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 32.04 1f2m s ARG 87 CO 0.00 0.33 1.28 0.20 0.02 0.00 0.00 175.30 177.13 1f2m s GLY 88 N -0.09 2.89 -0.34 -3.53 0.00 0.47 -0.60 107.32 106.10 1f2m s GLY 88 Ca 0.33 1.18 -0.06 0.00 0.00 0.00 0.00 44.72 46.16 1f2m s GLY 88 CO 0.18 1.72 0.11 1.08 0.00 0.00 0.00 173.10 176.20 1f2m s LEU 89 N -2.71 4.38 0.27 0.66 1.43 0.88 -0.56 118.68 123.03 1f2m s LEU 89 Ca 0.60 -1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 1f2m s LEU 89 Cb -0.36 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1f2m s LEU 89 CO 0.45 -0.34 0.54 0.00 0.23 0.00 0.00 176.35 177.23 1f2m s ALA 90 N 1.39 -0.42 -0.20 4.21 0.00 -1.12 -4.30 121.76 121.32 1f2m s ALA 90 Ca -0.01 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1f2m s ALA 90 Cb -0.20 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1f2m s ALA 90 CO 0.02 -0.90 0.33 0.71 0.00 0.00 0.00 175.76 175.92 1f2m s TYR 91 N -3.87 3.38 -0.14 0.00 2.02 0.24 -1.02 117.35 117.97 1f2m s TYR 91 Ca 0.20 0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 57.39 1f2m s TYR 91 Cb -0.02 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.07 1f2m s TYR 91 CO 0.09 0.06 0.02 0.42 -1.57 0.00 0.00 175.55 174.58 1f2m s ILE 92 N 1.07 4.45 -0.06 2.71 -1.09 -1.26 -0.34 121.20 126.67 1f2m s ILE 92 Ca 0.16 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.46 1f2m s ILE 92 Cb -0.14 -2.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1f2m s ILE 92 CO 0.06 0.53 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.79 1f2m s TYR 93 N -0.20 2.55 -0.27 3.97 2.02 0.61 -0.23 117.35 125.80 1f2m s TYR 93 Ca 0.06 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1f2m s TYR 93 Cb -0.12 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1f2m s TYR 93 CO 0.02 -0.09 -0.07 0.00 -1.57 0.00 0.00 175.55 173.84 1f2m s ALA 94 N -0.29 2.66 -1.41 3.71 0.00 0.63 -1.18 121.76 125.87 1f2m s ALA 94 Ca 0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.21 1f2m s ALA 94 Cb -0.13 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.32 1f2m s ALA 94 CO 0.03 -1.15 0.72 -0.25 0.00 0.00 0.00 175.76 175.11 1f2m n ASP 95 N 4.53 -2.10 0.00 0.00 10.43 0.16 -1.06 116.55 128.52 1f2m n ASP 95 Ca -0.14 -0.86 0.00 0.00 2.57 0.00 0.00 54.79 56.36 1f2m n ASP 95 Cb 0.43 -3.73 0.00 0.00 1.84 0.00 0.00 41.12 39.66 1f2m n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f2m n GLY 96 N -1.68 2.65 3.73 0.44 0.00 -1.26 -5.00 105.19 104.07 1f2m n GLY 96 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1f2m n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2m s LYS 97 N -0.02 3.83 -0.17 1.61 1.02 -0.22 -5.03 119.74 120.76 1f2m s LYS 97 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 1f2m s LYS 97 Cb 0.00 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1f2m s LYS 97 CO 0.00 0.44 1.23 1.41 -0.92 0.00 0.00 175.35 177.51 1f2m s MET 98 N -0.09 4.24 0.20 1.68 -2.45 -1.26 -0.27 119.30 121.36 1f2m s MET 98 Ca 0.08 1.62 -0.10 0.00 -1.25 0.00 0.00 55.69 56.04 1f2m s MET 98 Cb -0.12 -3.74 0.14 0.00 1.25 0.00 0.00 34.83 32.36 1f2m s MET 98 CO 0.01 -0.69 1.80 0.28 1.05 0.00 0.00 175.02 177.47 1f2m h VAL 99 N 5.47 1.23 -0.61 10.11 2.07 -0.97 -1.51 116.25 132.04 1f2m h VAL 99 Ca -0.26 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 66.71 1f2m h VAL 99 Cb 1.10 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1f2m h VAL 99 CO 0.97 0.27 0.28 0.78 0.02 0.00 0.00 177.57 179.89 1f2m h ASN 100 N 1.03 0.36 -0.27 0.57 4.21 -1.92 -1.58 115.58 117.98 1f2m h ASN 100 Ca 0.26 0.05 -0.13 0.00 1.21 0.00 0.00 56.30 57.69 1f2m h ASN 100 Cb 0.08 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1f2m h ASN 100 CO -0.04 0.22 -0.33 -0.08 -1.29 0.00 0.00 177.43 175.92 1f2m h GLU 101 N 0.51 0.71 -0.67 0.81 4.22 -1.86 -2.99 114.58 115.30 1f2m h GLU 101 Ca 0.29 -0.40 0.08 0.00 0.08 0.00 0.00 59.36 59.41 1f2m h GLU 101 Cb 0.28 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1f2m h GLU 101 CO -0.24 1.01 0.33 0.00 -2.18 0.00 0.00 179.01 177.94 1f2m h ALA 102 N 0.68 0.90 -0.40 2.92 0.00 -0.74 0.18 119.26 122.80 1f2m h ALA 102 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1f2m h ALA 102 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1f2m h ALA 102 CO 0.08 -0.04 0.23 -0.07 0.00 0.00 0.00 179.25 179.45 1f2m h LEU 103 N 0.59 0.49 -0.43 0.00 3.38 -1.26 -1.74 115.31 116.34 1f2m h LEU 103 Ca 0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1f2m h LEU 103 Cb 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1f2m h LEU 103 CO -0.24 0.42 0.07 0.58 0.09 0.00 0.00 178.44 179.36 1f2m h VAL 104 N 0.52 1.24 -0.21 1.22 2.07 -1.29 -0.72 116.25 119.08 1f2m h VAL 104 Ca 0.14 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1f2m h VAL 104 Cb 0.03 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1f2m h VAL 104 CO -0.02 0.31 0.13 -0.09 0.02 0.00 0.00 177.57 177.92 1f2m h ARG 105 N 0.57 0.28 -0.01 1.57 9.65 -0.42 -1.86 114.38 124.16 1f2m h ARG 105 Ca 0.13 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1f2m h ARG 105 Cb 0.38 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1f2m h ARG 105 CO 0.01 0.19 -0.03 1.04 2.80 0.00 0.00 179.97 183.98 1f2m n GLN 106 N -4.50 1.24 -1.77 0.20 1.13 -0.68 -4.46 117.38 108.55 1f2m n GLN 106 Ca 0.00 -0.51 -0.09 0.00 -1.94 0.00 0.00 57.00 54.47 1f2m n GLN 106 Cb 0.08 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.92 1f2m n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f2m n GLY 107 N 1.14 0.46 0.82 1.08 0.00 -0.70 -4.44 105.19 103.55 1f2m n GLY 107 Ca 0.19 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1f2m n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f2m n LEU 108 N -1.13 2.93 -3.52 0.99 4.77 -0.29 -1.90 117.00 118.85 1f2m n LEU 108 Ca -0.10 -1.57 -0.18 0.00 -0.03 0.00 0.00 56.01 54.14 1f2m n LEU 108 Cb 0.45 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1f2m n LEU 108 CO 0.12 0.66 0.44 0.00 -1.33 0.00 0.00 177.39 177.28 1f2m s ALA 109 N -1.16 -1.77 0.22 -1.18 0.00 -1.14 -4.41 121.76 112.32 1f2m s ALA 109 Ca 0.28 1.34 0.06 0.00 0.00 0.00 0.00 51.96 53.64 1f2m s ALA 109 Cb 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1f2m s ALA 109 CO 0.22 -0.37 0.16 0.15 0.00 0.00 0.00 175.76 175.92 1f2m s LYS 110 N -1.15 2.86 -0.02 0.00 1.02 -0.46 -4.39 119.74 117.60 1f2m s LYS 110 Ca -0.11 -1.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.59 1f2m s LYS 110 Cb -0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1f2m s LYS 110 CO 0.10 0.43 0.91 0.08 -0.92 0.00 0.00 175.35 175.95 1f2m s VAL 111 N -1.98 4.91 0.70 3.17 1.01 -1.26 -0.86 120.40 126.09 1f2m s VAL 111 Ca 0.32 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 64.09 1f2m s VAL 111 Cb -0.09 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1f2m s VAL 111 CO 0.24 0.17 1.09 0.00 0.00 0.00 0.00 175.10 176.60 1f2m s ALA 112 N 1.02 2.92 -0.08 5.51 0.00 -0.70 -4.80 121.76 125.62 1f2m s ALA 112 Ca 0.48 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 1f2m s ALA 112 Cb -0.20 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 1f2m s ALA 112 CO 0.25 -1.14 1.86 -0.47 0.00 0.00 0.00 175.76 176.26 1f2m s TYR 113 N -3.34 1.60 0.10 0.00 6.14 -1.26 -4.86 117.35 115.72 1f2m s TYR 113 Ca 0.58 0.06 -0.15 0.00 0.64 0.00 0.00 57.07 58.20 1f2m s TYR 113 Cb -0.11 -4.06 -0.06 0.00 0.42 0.00 0.00 41.96 38.15 1f2m s TYR 113 CO 0.51 -4.39 0.51 0.00 0.64 0.00 0.00 175.55 172.82 1f2m s ALA 114 N 5.12 3.62 -0.21 3.97 0.00 -1.26 -4.98 121.76 128.02 1f2m s ALA 114 Ca 0.83 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1f2m s ALA 114 Cb -0.35 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1f2m s ALA 114 CO 0.35 0.46 -0.12 0.71 0.00 0.00 0.00 175.76 177.17 1f2m s TYR 115 N -1.32 2.61 0.62 0.00 1.51 -1.26 -5.03 117.35 114.48 1f2m s TYR 115 Ca 0.33 -1.72 -0.18 0.00 -1.01 0.00 0.00 57.07 54.48 1f2m s TYR 115 Cb -0.16 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1f2m s TYR 115 CO 0.18 -0.78 1.14 0.00 -1.11 0.00 0.00 175.55 174.98 1f2m n ALA 116 N 4.63 0.70 1.86 3.71 0.00 -1.26 -0.96 120.51 129.19 1f2m n ALA 116 Ca -0.15 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.44 1f2m n ALA 116 Cb 0.46 -2.22 0.75 0.00 0.00 0.00 0.00 19.45 18.45 1f2m n ALA 116 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f2m n PRO 117 N -1.40 1.16 -1.57 0.00 -0.02 -1.26 -4.96 135.00 126.95 1f2m n PRO 117 Ca 0.14 -0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 60.98 1f2m n PRO 117 Cb 0.47 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.49 1f2m n PRO 117 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1f2m n ASN 118 N -0.67 7.31 -0.85 2.55 3.02 -0.14 -4.03 115.26 122.45 1f2m n ASN 118 Ca 0.20 -2.75 -0.01 0.00 -0.03 0.00 0.00 54.58 52.00 1f2m n ASN 118 Cb 0.16 -1.55 -0.01 0.00 -0.61 0.00 0.00 39.78 37.77 1f2m n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1f2m n ASN 119 N 3.91 -0.02 -0.29 6.41 2.04 -1.26 -4.19 115.26 121.86 1f2m n ASN 119 Ca 0.68 -1.72 0.06 0.00 -0.44 0.00 0.00 54.58 53.15 1f2m n ASN 119 Cb 0.28 -0.04 0.20 0.00 -2.53 0.00 0.00 39.78 37.69 1f2m n ASN 119 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1f2m h THR 120 N 5.95 0.77 -0.64 5.53 2.02 -1.97 -1.95 112.91 122.63 1f2m h THR 120 Ca -0.19 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1f2m h THR 120 Cb 1.40 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1f2m h THR 120 CO -0.05 0.12 0.00 1.41 0.37 0.00 0.00 175.52 177.37 1f2m n HIS 121 N -4.85 1.42 -0.12 3.16 8.25 -1.26 -4.62 115.22 117.20 1f2m n HIS 121 Ca 0.16 -0.57 -0.05 0.00 -0.26 0.00 0.00 57.72 56.99 1f2m n HIS 121 Cb 0.39 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.30 1f2m n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1f2m h GLU 122 N 3.99 0.28 -0.42 -0.41 4.81 -1.74 -0.51 114.58 120.59 1f2m h GLU 122 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1f2m h GLU 122 Cb 1.38 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1f2m h GLU 122 CO 0.21 0.19 -0.10 1.96 -0.73 0.00 0.00 179.01 180.53 1f2m h GLN 123 N 0.29 0.74 -0.15 1.92 1.08 -1.82 0.12 115.11 117.29 1f2m h GLN 123 Ca 0.18 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1f2m h GLN 123 Cb 0.17 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1f2m h GLN 123 CO -0.19 0.82 0.08 1.25 -0.95 0.00 0.00 178.83 179.83 1f2m h HIS 124 N 0.67 0.21 -0.39 2.96 2.76 -1.78 -1.76 115.15 117.83 1f2m h HIS 124 Ca 0.12 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1f2m h HIS 124 Cb 0.56 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1f2m h HIS 124 CO 0.03 0.23 0.14 -0.07 -1.30 0.00 0.00 177.93 176.95 1f2m h LEU 125 N 0.14 0.55 -1.84 0.26 3.38 -0.77 -2.58 115.31 114.44 1f2m h LEU 125 Ca 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1f2m h LEU 125 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1f2m h LEU 125 CO -0.01 0.59 0.04 0.03 0.09 0.00 0.00 178.44 179.18 1f2m h ARG 126 N 0.48 0.13 -0.49 1.13 3.08 -0.60 -0.41 114.38 117.70 1f2m h ARG 126 Ca 0.13 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1f2m h ARG 126 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1f2m h ARG 126 CO -0.01 0.12 -0.18 0.87 -1.07 0.00 0.00 179.97 179.70 1f2m h LYS 127 N 0.14 0.98 -0.13 0.04 1.57 -0.98 -0.64 116.57 117.55 1f2m h LYS 127 Ca 0.04 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.29 1f2m h LYS 127 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1f2m h LYS 127 CO -0.00 1.07 -0.48 0.77 -0.57 0.00 0.00 179.45 180.23 1f2m h SER 128 N 0.85 0.36 -0.53 0.86 0.02 -0.83 -2.61 113.55 111.68 1f2m h SER 128 Ca 0.12 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1f2m h SER 128 Cb 0.74 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1f2m h SER 128 CO 0.06 0.79 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.38 1f2m h GLU 129 N 0.27 1.01 -0.59 3.45 4.81 -0.77 -1.17 114.58 121.60 1f2m h GLU 129 Ca 0.01 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1f2m h GLU 129 Cb 0.95 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1f2m h GLU 129 CO 0.08 1.04 0.17 0.00 -0.73 0.00 0.00 179.01 179.56 1f2m h ALA 130 N 0.99 1.18 -0.38 2.92 0.00 -0.95 -0.66 119.26 122.36 1f2m h ALA 130 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1f2m h ALA 130 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1f2m h ALA 130 CO 0.04 0.57 -0.14 0.37 0.00 0.00 0.00 179.25 180.09 1f2m h GLN 131 N 0.87 0.76 -0.51 0.00 5.75 -1.17 -1.35 115.11 119.46 1f2m h GLN 131 Ca 0.19 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 1f2m h GLN 131 Cb 0.28 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1f2m h GLN 131 CO -0.01 0.93 0.19 0.00 -2.65 0.00 0.00 178.83 177.29 1f2m h ALA 132 N 0.81 1.37 -0.29 3.38 0.00 -0.90 -1.48 119.26 122.15 1f2m h ALA 132 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1f2m h ALA 132 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1f2m h ALA 132 CO 0.05 0.47 -0.07 0.87 0.00 0.00 0.00 179.25 180.56 1f2m h LYS 133 N 0.73 0.57 -0.06 0.00 1.57 -0.88 -1.55 116.57 116.96 1f2m h LYS 133 Ca 0.17 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1f2m h LYS 133 Cb 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1f2m h LYS 133 CO -0.01 0.77 -0.03 0.87 -0.57 0.00 0.00 179.45 180.47 1f2m h LYS 134 N 0.33 0.08 -0.01 3.15 1.57 -0.87 -0.82 116.57 120.00 1f2m h LYS 134 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1f2m h LYS 134 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1f2m h LYS 134 CO 0.03 0.12 -0.11 0.39 -0.57 0.00 0.00 179.45 179.30 1f2m n GLU 135 N -4.45 1.40 -3.97 3.15 1.02 -0.59 -4.95 120.64 112.25 1f2m n GLU 135 Ca -0.02 -0.87 -0.30 0.00 -0.02 0.00 0.00 57.16 55.95 1f2m n GLU 135 Cb 0.14 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1f2m n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f2m n LYS 136 N -0.04 -2.25 -3.23 3.49 5.02 -0.31 -4.94 118.16 115.90 1f2m n LYS 136 Ca 0.16 0.34 -0.37 0.00 -2.02 0.00 0.00 58.31 56.41 1f2m n LYS 136 Cb 0.38 -4.11 -0.06 0.00 -0.02 0.00 0.00 35.03 31.22 1f2m n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1f2m s LEU 137 N -6.98 4.43 0.00 -0.35 1.43 -0.95 -3.61 118.68 112.65 1f2m s LEU 137 Ca 0.14 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1f2m s LEU 137 Cb -0.06 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1f2m s LEU 137 CO 0.91 0.16 0.00 0.59 0.23 0.00 0.00 176.35 178.24 1f2m n ASN 138 N 1.19 0.00 -0.52 2.29 3.02 -1.26 0.05 115.26 120.02 1f2m n ASN 138 Ca -0.06 0.00 0.43 0.00 -0.03 0.00 0.00 54.58 54.91 1f2m n ASN 138 Cb 0.51 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.41 1f2m n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1f2m h ILE 139 N 0.00 0.12 -0.46 2.41 2.04 -1.70 0.97 117.51 120.89 1f2m h ILE 139 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1f2m h ILE 139 Cb 0.00 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1f2m h ILE 139 CO 0.00 0.01 0.00 0.79 0.00 0.00 0.00 178.15 178.95 1f2m n TRP 140 N -4.35 1.05 1.25 1.37 7.02 0.11 -5.14 117.44 118.76 1f2m n TRP 140 Ca 0.38 -0.42 0.13 0.00 -1.02 0.00 0.00 57.50 56.57 1f2m n TRP 140 Cb 1.62 -0.19 0.31 0.00 -2.42 0.00 0.00 31.31 30.64 1f2m n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54