#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3v s HIS 8 N 0.00 1.70 0.38 -1.77 5.65 -1.26 -5.12 115.29 114.87 1a3v s HIS 8 Ca 0.00 -0.57 -0.12 0.00 0.25 0.00 0.00 55.06 54.62 1a3v s HIS 8 Cb 0.00 -1.17 -0.07 0.00 -1.18 0.00 0.00 32.58 30.15 1a3v s HIS 8 CO 0.00 -0.24 0.76 0.15 -0.65 0.00 0.00 174.74 174.76 1a3v s LYS 9 N 0.31 3.85 0.02 2.88 1.02 -1.26 -4.37 119.74 122.19 1a3v s LYS 9 Ca -0.10 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.44 1a3v s LYS 9 Cb -0.14 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1a3v s LYS 9 CO 0.04 0.03 -0.03 -1.21 -0.92 0.00 0.00 175.35 173.26 1a3v s GLU 10 N -3.56 0.25 0.74 1.68 2.02 -0.34 -4.94 118.70 114.55 1a3v s GLU 10 Ca 0.52 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.95 1a3v s GLU 10 Cb -0.10 0.04 0.04 0.00 0.10 0.00 0.00 34.13 34.21 1a3v s GLU 10 CO 0.27 -0.03 1.10 -2.14 0.02 0.00 0.00 175.26 174.48 1a3v s PRO 11 N -1.05 2.38 0.22 0.39 0.02 -1.26 -0.16 135.00 135.54 1a3v s PRO 11 Ca -0.11 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 61.95 1a3v s PRO 11 Cb -0.07 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1a3v s PRO 11 CO -0.01 -1.56 0.64 0.00 -0.33 0.00 0.00 177.00 175.75 1a3v s ALA 12 N -2.71 -1.33 -0.04 -1.55 0.00 -0.64 -4.70 121.76 110.79 1a3v s ALA 12 Ca 0.63 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1a3v s ALA 12 Cb -0.19 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1a3v s ALA 12 CO 0.51 -0.90 -0.12 0.99 0.00 0.00 0.00 175.76 176.24 1a3v s THR 13 N -3.85 1.06 0.11 0.00 2.01 -0.77 -4.24 115.64 109.97 1a3v s THR 13 Ca 0.07 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 1a3v s THR 13 Cb -0.03 -0.93 -0.07 0.00 0.01 0.00 0.00 72.50 71.47 1a3v s THR 13 CO -0.02 0.32 1.31 -0.22 -0.69 0.00 0.00 174.62 175.31 1a3v s LEU 14 N 0.25 4.38 -0.16 4.42 1.98 -1.26 -0.14 118.68 128.15 1a3v s LEU 14 Ca -0.06 2.23 -0.12 0.00 -2.89 0.00 0.00 54.13 53.30 1a3v s LEU 14 Cb -0.11 -3.59 -0.07 0.00 0.66 0.00 0.00 46.19 43.08 1a3v s LEU 14 CO 0.02 -0.56 -0.26 -0.38 -1.89 0.00 0.00 176.35 173.28 1a3v n ILE 15 N 3.67 1.26 -3.64 6.68 5.41 -0.12 -4.85 119.36 127.77 1a3v n ILE 15 Ca 0.09 -0.06 -0.06 0.00 1.00 0.00 0.00 62.75 63.72 1a3v n ILE 15 Cb 0.44 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.35 1a3v n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1a3v s LYS 16 N -2.51 0.66 -0.05 0.38 2.20 -0.83 -4.99 119.74 114.61 1a3v s LYS 16 Ca -0.25 1.16 -0.26 0.00 -0.36 0.00 0.00 55.97 56.26 1a3v s LYS 16 Cb 0.07 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1a3v s LYS 16 CO 0.34 -0.14 0.82 0.00 -0.36 0.00 0.00 175.35 176.01 1a3v s ALA 17 N 1.66 3.28 -0.19 3.13 0.00 -1.26 -0.47 121.76 127.90 1a3v s ALA 17 Ca -0.10 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 1a3v s ALA 17 Cb -0.05 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 1a3v s ALA 17 CO -0.19 -0.19 -0.23 -0.89 0.00 0.00 0.00 175.76 174.25 1a3v n ILE 18 N 3.89 1.49 -3.45 0.00 5.41 -0.62 -4.97 119.36 121.12 1a3v n ILE 18 Ca 0.02 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1a3v n ILE 18 Cb 0.51 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1a3v n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a3v n ASP 19 N -4.45 0.00 -0.21 4.38 5.75 -0.85 -4.99 116.55 116.17 1a3v n ASP 19 Ca -0.23 -0.99 0.27 0.00 -0.01 0.00 0.00 54.79 53.82 1a3v n ASP 19 Cb 0.55 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.32 1a3v n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1a3v h GLY 20 N 0.00 0.23 0.00 6.12 0.00 -1.82 -3.11 103.07 104.49 1a3v h GLY 20 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1a3v h GLY 20 CO 0.00 -0.01 0.00 2.09 0.00 0.00 0.00 176.54 178.62 1a3v n ASP 21 N -4.33 1.07 -4.12 0.19 5.68 -1.26 -4.84 116.55 108.94 1a3v n ASP 21 Ca 0.20 -1.51 -0.12 0.00 -0.50 0.00 0.00 54.79 52.86 1a3v n ASP 21 Cb 0.94 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.81 1a3v n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a3v s THR 22 N -0.51 0.65 -0.11 2.12 2.01 -1.18 -1.98 115.64 116.64 1a3v s THR 22 Ca 0.00 -1.53 0.01 0.00 0.31 0.00 0.00 61.69 60.48 1a3v s THR 22 Cb 0.00 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1a3v s THR 22 CO 0.00 -0.62 -0.13 -0.75 -0.69 0.00 0.00 174.62 172.42 1a3v s LYS 24 N -2.73 2.06 0.17 4.92 2.47 0.38 -1.59 119.74 125.43 1a3v s LYS 24 Ca 0.02 -0.49 0.08 0.00 -1.56 0.00 0.00 55.97 54.01 1a3v s LYS 24 Cb -0.02 -1.83 -0.04 0.00 -1.46 0.00 0.00 37.83 34.47 1a3v s LYS 24 CO -0.02 -0.13 -0.16 -0.51 0.16 0.00 0.00 175.35 174.70 1a3v s LEU 25 N 1.19 2.48 -0.33 5.43 1.43 0.17 -0.95 118.68 128.10 1a3v s LEU 25 Ca -0.03 -0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 52.01 1a3v s LEU 25 Cb -0.14 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 1a3v s LEU 25 CO -0.04 -0.12 0.29 -0.32 0.23 0.00 0.00 176.35 176.39 1a3v s MET 26 N -3.14 3.57 -0.12 1.70 1.75 0.80 -0.05 119.30 123.81 1a3v s MET 26 Ca 0.17 -0.51 0.01 0.00 -1.25 0.00 0.00 55.69 54.11 1a3v s MET 26 Cb -0.03 -3.79 0.02 0.00 2.84 0.00 0.00 34.83 33.86 1a3v s MET 26 CO 0.06 -0.45 -0.13 -0.47 -0.65 0.00 0.00 175.02 173.38 1a3v s TYR 27 N 1.85 1.88 -1.29 4.11 5.04 0.69 -1.84 117.35 127.79 1a3v s TYR 27 Ca 0.09 -0.95 -0.03 0.00 -2.44 0.00 0.00 57.07 53.73 1a3v s TYR 27 Cb -0.17 -1.41 0.01 0.00 0.35 0.00 0.00 41.96 40.74 1a3v s TYR 27 CO 0.11 -0.54 1.00 1.63 -1.34 0.00 0.00 175.55 176.41 1a3v n LYS 28 N 4.55 -6.61 -0.99 4.97 4.76 -1.26 -1.44 118.16 122.15 1a3v n LYS 28 Ca -0.17 0.79 -0.05 0.00 -2.87 0.00 0.00 58.31 56.01 1a3v n LYS 28 Cb 0.51 -5.73 -0.02 0.00 -1.84 0.00 0.00 35.03 27.95 1a3v n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a3v n GLY 29 N -1.48 0.46 3.38 0.72 0.00 -1.26 -4.93 105.19 102.07 1a3v n GLY 29 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1a3v n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a3v s GLN 30 N -2.10 2.56 0.24 1.61 -0.44 -0.52 -5.07 119.66 115.94 1a3v s GLN 30 Ca 0.00 -0.79 -0.30 0.00 -2.50 0.00 0.00 55.36 51.77 1a3v s GLN 30 Cb 0.00 -2.29 -0.09 0.00 -1.64 0.00 0.00 33.01 28.99 1a3v s GLN 30 CO 0.00 0.49 1.18 -1.25 0.50 0.00 0.00 175.29 176.21 1a3v s PRO 31 N -0.41 4.52 -0.06 1.67 0.04 -1.26 -0.22 135.00 139.28 1a3v s PRO 31 Ca 0.04 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 62.80 1a3v s PRO 31 Cb -0.12 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1a3v s PRO 31 CO 0.02 0.00 0.42 -1.64 0.04 0.00 0.00 177.00 175.84 1a3v s MET 32 N -0.87 0.70 -0.11 4.56 -1.94 0.93 -4.92 119.30 117.66 1a3v s MET 32 Ca 0.49 0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 54.46 1a3v s MET 32 Cb -0.33 0.32 -0.05 0.00 2.01 0.00 0.00 34.83 36.78 1a3v s MET 32 CO 0.40 -0.18 0.30 0.95 -0.01 0.00 0.00 175.02 176.49 1a3v s THR 33 N -0.87 5.27 0.19 2.05 -4.23 -1.26 0.42 115.64 117.21 1a3v s THR 33 Ca -0.09 0.58 0.10 0.00 -1.18 0.00 0.00 61.69 61.09 1a3v s THR 33 Cb -0.04 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1a3v s THR 33 CO 0.04 0.48 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.07 1a3v s PHE 34 N -0.20 2.45 -0.05 3.99 0.40 -1.26 -0.92 117.98 122.39 1a3v s PHE 34 Ca 0.18 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1a3v s PHE 34 Cb -0.14 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1a3v s PHE 34 CO 0.07 0.51 -0.10 0.50 0.70 0.00 0.00 175.22 176.90 1a3v s ARG 35 N -2.78 1.34 0.33 0.44 6.06 0.16 -4.29 118.95 120.20 1a3v s ARG 35 Ca 0.23 -0.32 -0.29 0.00 -2.50 0.00 0.00 55.73 52.85 1a3v s ARG 35 Cb -0.08 -1.17 -0.11 0.00 0.06 0.00 0.00 34.95 33.66 1a3v s ARG 35 CO 0.12 0.03 1.43 -0.51 -2.50 0.00 0.00 175.30 173.87 1a3v s LEU 36 N 0.60 4.37 0.39 -0.88 1.43 -0.84 -2.86 118.68 120.90 1a3v s LEU 36 Ca -0.11 2.84 -0.23 0.00 -1.03 0.00 0.00 54.13 55.60 1a3v s LEU 36 Cb -0.14 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 1a3v s LEU 36 CO 0.02 -0.73 0.97 -0.76 0.23 0.00 0.00 176.35 176.08 1a3v s LEU 37 N -1.45 4.11 -1.62 1.79 1.43 -0.18 -4.24 118.68 118.53 1a3v s LEU 37 Ca 0.54 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1a3v s LEU 37 Cb -0.44 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1a3v s LEU 37 CO 0.54 -0.30 0.00 0.18 0.23 0.00 0.00 176.35 177.00 1a3v n LEU 38 N -0.13 -0.98 -4.10 1.79 4.77 -1.26 -4.94 117.00 112.14 1a3v n LEU 38 Ca 0.05 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 1a3v n LEU 38 Cb 0.52 -2.48 -0.10 0.00 -2.33 0.00 0.00 43.42 39.04 1a3v n LEU 38 CO 0.41 -0.92 -0.28 0.68 -1.33 0.00 0.00 177.39 175.95 1a3v s VAL 39 N -2.27 0.13 -0.22 4.08 -7.23 -1.21 -2.45 120.40 111.24 1a3v s VAL 39 Ca 0.00 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1a3v s VAL 39 Cb 0.00 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.19 1a3v s VAL 39 CO 0.00 -0.59 0.30 -0.62 -0.31 0.00 0.00 175.10 173.87 1a3v s ASP 40 N -3.00 0.78 0.34 4.85 -1.08 -0.37 -4.62 116.67 113.56 1a3v s ASP 40 Ca 0.18 0.05 -0.08 0.00 -0.52 0.00 0.00 52.55 52.19 1a3v s ASP 40 Cb 0.07 0.75 -0.06 0.00 -1.46 0.00 0.00 42.92 42.22 1a3v s ASP 40 CO -0.02 -0.31 0.65 0.42 0.52 0.00 0.00 175.17 176.43 1a3v s THR 41 N 2.43 4.91 0.61 1.71 -4.23 -1.26 -1.86 115.64 117.95 1a3v s THR 41 Ca 0.09 0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 1a3v s THR 41 Cb -0.15 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 1a3v s THR 41 CO -0.13 -0.39 1.23 -2.16 -0.54 0.00 0.00 174.62 172.62 1a3v s PRO 42 N -3.64 2.86 0.48 3.99 0.04 -1.26 -4.94 135.00 132.53 1a3v s PRO 42 Ca 0.47 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 1a3v s PRO 42 Cb -0.11 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1a3v s PRO 42 CO 0.30 -1.31 1.16 -2.00 0.04 0.00 0.00 177.00 175.18 1a3v s GLU 43 N -3.34 3.67 0.00 4.56 2.56 -1.26 -4.51 118.70 120.38 1a3v s GLU 43 Ca 0.79 1.74 0.00 0.00 0.00 0.00 0.00 54.97 57.50 1a3v s GLU 43 Cb -0.32 -2.32 0.00 0.00 2.00 0.00 0.00 34.13 33.49 1a3v s GLU 43 CO 0.35 -0.61 0.00 0.25 -0.56 0.00 0.00 175.26 174.68 1a3v n THR 44 N -0.66 0.00 0.00 -1.70 -2.24 -1.26 -0.94 114.28 107.48 1a3v n THR 44 Ca 0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1a3v n THR 44 Cb 0.49 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1a3v n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a3v n LYS 45 N -0.26 0.00 -1.57 -0.78 4.01 -1.26 -4.68 118.16 113.62 1a3v n LYS 45 Ca 0.00 0.00 -0.59 0.00 -0.51 0.00 0.00 58.31 57.21 1a3v n LYS 45 Cb 0.00 -0.15 -0.09 0.00 -0.51 0.00 0.00 35.03 34.28 1a3v n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1a3v n HIS 46 N -1.92 1.71 -0.28 2.13 -0.00 -1.26 -4.76 115.22 110.82 1a3v n HIS 46 Ca 0.00 0.68 0.03 0.00 0.46 0.00 0.00 57.72 58.89 1a3v n HIS 46 Cb 0.00 -2.38 0.16 0.00 -0.12 0.00 0.00 29.99 27.65 1a3v n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a3v h PRO 47 N 8.04 0.73 -2.41 1.57 0.11 -1.95 0.77 132.00 138.86 1a3v h PRO 47 Ca -0.34 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.23 1a3v h PRO 47 Cb 1.35 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1a3v h PRO 47 CO 1.01 0.48 1.55 1.63 -0.21 0.00 0.00 178.00 182.46 1a3v n LYS 48 N -4.77 3.06 0.00 1.05 5.02 -1.26 -2.26 118.16 119.00 1a3v n LYS 48 Ca 0.13 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1a3v n LYS 48 Cb 0.28 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 1a3v n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a3v n LYS 49 N 2.39 0.00 -0.12 1.97 4.76 -0.94 -5.18 118.16 121.05 1a3v n LYS 49 Ca 0.59 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 56.04 1a3v n LYS 49 Cb 0.52 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1a3v n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a3v n GLY 50 N -0.92 -2.16 3.43 0.72 0.00 0.22 -4.60 105.19 101.88 1a3v n GLY 50 Ca 0.00 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1a3v n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3v s VAL 51 N -0.81 4.69 0.54 1.61 1.01 -1.26 -3.99 120.40 122.19 1a3v s VAL 51 Ca 0.00 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 1a3v s VAL 51 Cb 0.00 -4.69 -0.06 0.00 0.00 0.00 0.00 36.38 31.63 1a3v s VAL 51 CO 0.00 -1.40 1.06 -1.61 0.00 0.00 0.00 175.10 173.15 1a3v s GLU 52 N 2.89 3.51 0.45 2.72 2.02 -0.12 -4.98 118.70 125.19 1a3v s GLU 52 Ca 0.25 1.34 -0.25 0.00 0.02 0.00 0.00 54.97 56.33 1a3v s GLU 52 Cb -0.12 -2.05 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 1a3v s GLU 52 CO -0.02 -0.67 1.44 0.21 0.02 0.00 0.00 175.26 176.25 1a3v s LYS 53 N -3.59 3.71 0.00 1.61 2.36 -1.26 -1.87 119.74 120.70 1a3v s LYS 53 Ca 0.67 2.45 0.00 0.00 -2.55 0.00 0.00 55.97 56.53 1a3v s LYS 53 Cb -0.17 -2.68 0.00 0.00 -1.05 0.00 0.00 37.83 33.93 1a3v s LYS 53 CO 0.28 -0.81 0.00 0.66 1.55 0.00 0.00 175.35 177.03 1a3v n TYR 54 N -0.15 0.00 0.17 4.03 4.01 -1.26 -4.78 117.16 119.18 1a3v n TYR 54 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 1a3v n TYR 54 Cb 0.41 -0.23 -0.08 0.00 -0.31 0.00 0.00 39.34 39.13 1a3v n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1a3v h GLY 55 N 0.00 -0.45 1.98 2.72 0.00 -1.60 0.13 103.07 105.86 1a3v h GLY 55 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1a3v h GLY 55 CO 0.00 -0.16 -0.12 -2.55 0.00 0.00 0.00 176.54 173.71 1a3v h PRO 56 N -0.70 0.02 0.03 4.80 0.11 -1.87 -1.46 132.00 132.93 1a3v h PRO 56 Ca -0.04 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1a3v h PRO 56 Cb 0.48 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1a3v h PRO 56 CO 0.07 0.14 -0.01 0.93 -0.21 0.00 0.00 178.00 178.92 1a3v h GLU 57 N 0.02 -0.04 -0.83 1.05 3.07 -1.90 -2.46 114.58 113.49 1a3v h GLU 57 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1a3v h GLU 57 Cb 0.23 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.09 1a3v h GLU 57 CO 0.02 0.49 0.54 0.00 -1.40 0.00 0.00 179.01 178.66 1a3v h ALA 58 N 0.34 1.57 -0.59 3.43 0.00 -0.45 -0.28 119.26 123.27 1a3v h ALA 58 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1a3v h ALA 58 Cb 0.55 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1a3v h ALA 58 CO 0.01 0.32 0.19 0.77 0.00 0.00 0.00 179.25 180.53 1a3v h SER 59 N 0.94 0.86 0.06 0.00 0.02 -1.25 -2.11 113.55 112.08 1a3v h SER 59 Ca 0.35 -0.21 -0.18 0.00 -0.84 0.00 0.00 61.79 60.92 1a3v h SER 59 Cb 0.18 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1a3v h SER 59 CO -0.12 0.84 -0.65 0.00 -1.14 0.00 0.00 176.83 175.76 1a3v h ALA 60 N 1.06 0.58 0.08 3.77 0.00 -0.76 0.19 119.26 124.19 1a3v h ALA 60 Ca 0.19 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a3v h ALA 60 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a3v h ALA 60 CO -0.01 0.71 -0.04 0.35 0.00 0.00 0.00 179.25 180.27 1a3v h PHE 61 N 0.41 -0.10 -0.18 0.00 3.57 -1.03 -1.01 116.94 118.60 1a3v h PHE 61 Ca -0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1a3v h PHE 61 Cb 1.22 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1a3v h PHE 61 CO 0.05 0.01 0.11 1.15 -2.23 0.00 0.00 178.31 177.40 1a3v h THR 62 N -0.20 1.08 -0.37 4.41 2.02 -1.35 -1.71 112.91 116.79 1a3v h THR 62 Ca -0.01 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1a3v h THR 62 Cb 0.16 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1a3v h THR 62 CO 0.02 0.08 0.13 0.50 0.37 0.00 0.00 175.52 176.62 1a3v h LYS 63 N 0.21 0.27 -0.30 6.66 3.64 -0.83 -0.87 116.57 125.35 1a3v h LYS 63 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1a3v h LYS 63 Cb 0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1a3v h LYS 63 CO -0.01 0.18 0.19 -0.22 -2.27 0.00 0.00 179.45 177.32 1a3v h LYS 64 N 0.28 0.39 -0.05 1.90 1.63 -1.02 -0.90 116.57 118.80 1a3v h LYS 64 Ca 0.17 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1a3v h LYS 64 Cb 0.15 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1a3v h LYS 64 CO -0.18 0.28 0.03 1.98 -3.45 0.00 0.00 179.45 178.11 1a3v h MET 65 N 0.39 0.07 0.02 1.90 4.05 -0.82 -2.48 114.93 118.07 1a3v h MET 65 Ca 0.11 -0.01 -0.21 0.00 -0.28 0.00 0.00 59.70 59.31 1a3v h MET 65 Cb -0.02 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1a3v h MET 65 CO -0.02 0.12 -0.95 -0.39 0.23 0.00 0.00 176.91 175.90 1a3v h VAL 66 N 0.01 1.54 0.00 -5.77 -1.51 -1.13 -3.25 116.25 106.14 1a3v h VAL 66 Ca 0.02 -2.82 -0.06 0.00 -1.23 0.00 0.00 66.70 62.61 1a3v h VAL 66 Cb 0.07 2.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1a3v h VAL 66 CO -0.00 0.82 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.55 1a3v h GLU 67 N 0.08 0.00 -0.68 5.19 5.08 -1.16 -3.11 114.58 119.99 1a3v h GLU 67 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a3v h GLU 67 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1a3v h GLU 67 CO 0.14 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 1a3v n ASN 68 N -3.27 3.67 -4.82 1.42 5.03 -0.94 -4.97 115.26 111.39 1a3v n ASN 68 Ca 0.01 -2.00 -0.35 0.00 0.87 0.00 0.00 54.58 53.11 1a3v n ASN 68 Cb 0.55 -0.45 -0.06 0.00 -1.02 0.00 0.00 39.78 38.80 1a3v n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a3v s ALA 69 N -1.09 3.39 0.01 5.41 0.00 -1.18 -4.97 121.76 123.33 1a3v s ALA 69 Ca 0.46 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1a3v s ALA 69 Cb 0.24 -2.83 -0.26 0.00 0.00 0.00 0.00 23.12 20.28 1a3v s ALA 69 CO 0.31 0.32 0.89 0.87 0.00 0.00 0.00 175.76 178.16 1a3v h LYS 70 N 3.19 0.17 -4.13 0.00 1.57 -1.93 -3.46 116.57 111.98 1a3v h LYS 70 Ca -0.48 -0.28 -0.34 0.00 -1.87 0.00 0.00 60.65 57.68 1a3v h LYS 70 Cb 1.19 0.11 -0.30 0.00 0.08 0.00 0.00 32.23 33.30 1a3v h LYS 70 CO 0.65 1.00 -0.75 0.15 -0.57 0.00 0.00 179.45 179.92 1a3v s LYS 71 N -2.63 0.45 -0.07 3.15 1.02 -1.26 -5.03 119.74 115.37 1a3v s LYS 71 Ca -0.07 -0.12 0.04 0.00 0.02 0.00 0.00 55.97 55.84 1a3v s LYS 71 Cb 0.08 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.91 1a3v s LYS 71 CO 0.84 0.03 -0.18 0.42 -0.92 0.00 0.00 175.35 175.54 1a3v s ILE 72 N 0.26 1.56 0.03 2.17 1.01 -1.26 -0.76 121.20 124.21 1a3v s ILE 72 Ca -0.03 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1a3v s ILE 72 Cb -0.06 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1a3v s ILE 72 CO -0.00 0.45 -0.12 -1.61 0.00 0.00 0.00 174.94 173.65 1a3v s GLU 73 N 0.33 0.84 -0.09 2.79 2.02 -0.59 -1.63 118.70 122.38 1a3v s GLU 73 Ca -0.12 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1a3v s GLU 73 Cb -0.15 -0.82 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 1a3v s GLU 73 CO 0.05 0.20 -0.10 0.14 0.02 0.00 0.00 175.26 175.58 1a3v s VAL 74 N -0.74 3.43 -0.26 2.63 -7.23 0.78 -1.03 120.40 117.98 1a3v s VAL 74 Ca 0.01 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1a3v s VAL 74 Cb -0.07 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.53 1a3v s VAL 74 CO 0.01 0.57 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.66 1a3v s GLU 75 N -0.40 1.39 0.50 4.82 2.12 0.21 -1.19 118.70 126.15 1a3v s GLU 75 Ca 0.05 -1.08 -0.18 0.00 0.36 0.00 0.00 54.97 54.12 1a3v s GLU 75 Cb -0.12 -2.54 -0.08 0.00 0.26 0.00 0.00 34.13 31.65 1a3v s GLU 75 CO 0.02 -0.71 1.00 -0.06 -0.54 0.00 0.00 175.26 174.97 1a3v s PHE 76 N 1.40 3.24 0.00 5.30 0.08 -1.26 -0.68 117.98 126.06 1a3v s PHE 76 Ca -0.01 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1a3v s PHE 76 Cb -0.18 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1a3v s PHE 76 CO -0.10 -0.53 0.00 -3.47 -0.10 0.00 0.00 175.22 171.03 1a3v n ASP 77 N -1.28 0.00 -0.23 1.36 -0.08 -1.26 -4.68 116.55 110.38 1a3v n ASP 77 Ca 0.08 -0.40 0.14 0.00 -1.51 0.00 0.00 54.79 53.10 1a3v n ASP 77 Cb 0.53 0.00 0.59 0.00 2.34 0.00 0.00 41.12 44.58 1a3v n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1a3v n LYS 78 N -0.40 1.05 0.00 -0.67 2.85 -1.26 -4.88 118.16 114.84 1a3v n LYS 78 Ca 0.00 -0.47 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 1a3v n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1a3v n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a3v n GLY 79 N 1.22 3.17 3.77 2.58 0.00 -1.26 -4.96 105.19 109.71 1a3v n GLY 79 Ca 0.17 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1a3v n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a3v s GLN 80 N 4.22 3.94 0.00 1.61 -2.07 -1.26 -4.95 119.66 121.15 1a3v s GLN 80 Ca 0.00 1.94 0.24 0.00 -1.82 0.00 0.00 55.36 55.71 1a3v s GLN 80 Cb 0.00 -2.64 0.26 0.00 -1.09 0.00 0.00 33.01 29.54 1a3v s GLN 80 CO 0.00 -0.44 1.24 0.54 -1.32 0.00 0.00 175.29 175.31 1a3v n ARG 81 N -0.05 0.46 -4.09 9.60 3.00 -1.26 -4.84 116.66 119.48 1a3v n ARG 81 Ca 0.05 -0.33 -0.14 0.00 -0.01 0.00 0.00 57.85 57.42 1a3v n ARG 81 Cb 0.46 -1.49 -0.11 0.00 0.00 0.00 0.00 32.46 31.31 1a3v n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1a3v s THR 82 N -2.77 0.64 0.64 0.55 -4.23 -1.26 0.60 115.64 109.82 1a3v s THR 82 Ca 0.15 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1a3v s THR 82 Cb 0.18 -0.75 0.12 0.00 1.34 0.00 0.00 72.50 73.39 1a3v s THR 82 CO 0.68 -0.39 0.88 -0.90 -0.54 0.00 0.00 174.62 174.35 1a3v n ASP 83 N 1.34 1.36 0.29 3.99 5.68 -0.61 -4.91 116.55 123.69 1a3v n ASP 83 Ca -0.22 -2.11 0.18 0.00 -0.50 0.00 0.00 54.79 52.15 1a3v n ASP 83 Cb 0.55 -0.56 0.99 0.00 -1.14 0.00 0.00 41.12 40.97 1a3v n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1a3v h LYS 84 N 0.00 0.00 -0.32 0.11 2.10 -2.02 -0.49 116.57 115.95 1a3v h LYS 84 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1a3v h LYS 84 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1a3v h LYS 84 CO 0.33 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.44 1a3v n TYR 85 N -3.46 0.42 -1.10 0.07 4.01 -1.26 -4.91 117.16 110.93 1a3v n TYR 85 Ca -0.02 -0.21 -0.03 0.00 -0.16 0.00 0.00 57.90 57.48 1a3v n TYR 85 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1a3v n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a3v n GLY 86 N 1.12 0.64 3.77 2.72 0.00 -0.19 -5.01 105.19 108.24 1a3v n GLY 86 Ca 0.14 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1a3v n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a3v s ARG 87 N -1.75 4.44 0.32 1.61 0.52 -1.26 -4.80 118.95 118.04 1a3v s ARG 87 Ca 0.00 0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 55.91 1a3v s ARG 87 Cb 0.00 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.07 1a3v s ARG 87 CO 0.00 0.48 1.26 0.20 0.02 0.00 0.00 175.30 177.27 1a3v s GLY 88 N -0.72 3.01 -0.31 -3.53 0.00 -0.09 -1.58 107.32 104.10 1a3v s GLY 88 Ca 0.34 1.19 -0.03 0.00 0.00 0.00 0.00 44.72 46.22 1a3v s GLY 88 CO 0.23 1.82 0.03 1.08 0.00 0.00 0.00 173.10 176.26 1a3v s LEU 89 N -1.75 4.00 0.31 0.66 1.43 0.20 0.38 118.68 123.91 1a3v s LEU 89 Ca 0.48 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1a3v s LEU 89 Cb -0.38 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1a3v s LEU 89 CO 0.50 -0.27 0.56 0.00 0.23 0.00 0.00 176.35 177.37 1a3v s ALA 90 N 1.30 -0.03 -0.23 4.21 0.00 -1.13 -4.37 121.76 121.51 1a3v s ALA 90 Ca -0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 1a3v s ALA 90 Cb -0.20 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 1a3v s ALA 90 CO 0.00 -0.87 0.14 0.71 0.00 0.00 0.00 175.76 175.74 1a3v s TYR 91 N -3.28 3.30 -0.11 0.00 2.02 0.15 -1.01 117.35 118.43 1a3v s TYR 91 Ca 0.23 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 1a3v s TYR 91 Cb -0.02 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 1a3v s TYR 91 CO 0.14 0.08 -0.14 0.42 -1.57 0.00 0.00 175.55 174.48 1a3v s ILE 92 N 0.89 2.97 -0.11 2.71 1.01 -1.26 -0.62 121.20 126.79 1a3v s ILE 92 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1a3v s ILE 92 Cb -0.13 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1a3v s ILE 92 CO 0.03 0.54 -0.13 -0.31 0.00 0.00 0.00 174.94 175.07 1a3v s TYR 93 N 0.08 2.79 -0.30 3.97 1.51 -0.20 0.01 117.35 125.22 1a3v s TYR 93 Ca -0.06 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 1a3v s TYR 93 Cb -0.15 -1.79 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1a3v s TYR 93 CO 0.05 -0.10 0.03 0.00 -1.11 0.00 0.00 175.55 174.42 1a3v s ALA 94 N 0.06 2.89 -1.52 3.71 0.00 0.50 -1.54 121.76 125.87 1a3v s ALA 94 Ca -0.05 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 1a3v s ALA 94 Cb -0.14 -2.01 0.08 0.00 0.00 0.00 0.00 23.12 21.04 1a3v s ALA 94 CO 0.04 -1.15 0.81 -0.25 0.00 0.00 0.00 175.76 175.21 1a3v n ASP 95 N 4.72 -3.24 0.00 0.00 8.00 0.06 -0.88 116.55 125.20 1a3v n ASP 95 Ca -0.14 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1a3v n ASP 95 Cb 0.45 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1a3v n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3v n GLY 96 N -1.65 1.38 3.64 0.44 0.00 -1.26 -5.01 105.19 102.72 1a3v n GLY 96 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1a3v n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3v s LYS 97 N -0.02 4.03 -0.13 1.61 3.01 -0.06 -5.02 119.74 123.17 1a3v s LYS 97 Ca 0.00 -0.25 -0.29 0.00 -1.01 0.00 0.00 55.97 54.41 1a3v s LYS 97 Cb 0.00 -3.58 -0.04 0.00 -1.01 0.00 0.00 37.83 33.20 1a3v s LYS 97 CO 0.00 -0.03 1.54 1.41 0.51 0.00 0.00 175.35 178.78 1a3v s MET 98 N 1.33 4.09 0.25 1.68 1.75 -1.26 -0.37 119.30 126.77 1a3v s MET 98 Ca 0.08 1.92 -0.05 0.00 -1.25 0.00 0.00 55.69 56.39 1a3v s MET 98 Cb -0.14 -3.94 0.29 0.00 2.84 0.00 0.00 34.83 33.88 1a3v s MET 98 CO 0.07 -0.93 1.86 0.28 -0.65 0.00 0.00 175.02 175.65 1a3v h VAL 99 N 5.70 1.24 -0.40 10.11 2.07 -0.79 -2.26 116.25 131.93 1a3v h VAL 99 Ca -0.34 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.53 1a3v h VAL 99 Cb 1.15 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1a3v h VAL 99 CO 0.97 0.29 0.20 0.78 0.02 0.00 0.00 177.57 179.83 1a3v h ASN 100 N 1.11 0.31 -0.20 0.57 4.21 -1.91 -2.15 115.58 117.52 1a3v h ASN 100 Ca 0.27 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.74 1a3v h ASN 100 Cb 0.10 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1a3v h ASN 100 CO -0.04 0.22 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.13 1a3v h GLU 101 N 0.42 0.43 -0.70 0.81 4.22 -1.91 -2.94 114.58 114.90 1a3v h GLU 101 Ca 0.17 -0.20 0.12 0.00 0.08 0.00 0.00 59.36 59.53 1a3v h GLU 101 Cb 0.06 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.22 1a3v h GLU 101 CO -0.11 0.73 0.28 0.00 -2.18 0.00 0.00 179.01 177.73 1a3v h ALA 102 N 0.68 0.96 -0.62 2.92 0.00 -1.26 0.25 119.26 122.19 1a3v h ALA 102 Ca 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a3v h ALA 102 Cb 0.62 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1a3v h ALA 102 CO 0.03 -0.19 0.22 -0.07 0.00 0.00 0.00 179.25 179.24 1a3v h LEU 103 N 0.44 0.88 -0.08 0.00 3.38 -1.39 -1.99 115.31 116.54 1a3v h LEU 103 Ca 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1a3v h LEU 103 Cb 0.52 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a3v h LEU 103 CO -0.37 0.83 -0.01 0.58 0.09 0.00 0.00 178.44 179.57 1a3v h VAL 104 N 0.88 1.26 -0.66 1.22 2.07 -1.15 0.99 116.25 120.85 1a3v h VAL 104 Ca 0.20 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1a3v h VAL 104 Cb 0.25 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1a3v h VAL 104 CO -0.01 0.23 0.44 -0.09 0.02 0.00 0.00 177.57 178.16 1a3v h ARG 105 N -0.15 0.58 -0.00 1.57 9.65 -0.38 -0.63 114.38 125.03 1a3v h ARG 105 Ca 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1a3v h ARG 105 Cb 0.37 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1a3v h ARG 105 CO 0.01 0.39 -0.02 1.04 2.80 0.00 0.00 179.97 184.18 1a3v n GLN 106 N -4.48 1.06 -2.16 0.20 1.13 -0.76 -4.39 117.38 107.98 1a3v n GLN 106 Ca 0.10 -0.29 -0.10 0.00 -1.94 0.00 0.00 57.00 54.77 1a3v n GLN 106 Cb 0.29 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 1a3v n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a3v n GLY 107 N 1.12 0.01 0.85 1.08 0.00 -0.24 -4.42 105.19 103.58 1a3v n GLY 107 Ca 0.20 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1a3v n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a3v n LEU 108 N -1.37 3.15 -3.50 0.99 4.77 0.31 -1.71 117.00 119.64 1a3v n LEU 108 Ca -0.11 -1.88 -0.13 0.00 -0.03 0.00 0.00 56.01 53.86 1a3v n LEU 108 Cb 0.58 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1a3v n LEU 108 CO 0.13 0.77 0.55 0.00 -1.33 0.00 0.00 177.39 177.51 1a3v s ALA 109 N -1.03 -1.77 0.15 -1.18 0.00 -1.19 -4.43 121.76 112.31 1a3v s ALA 109 Ca 0.30 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.45 1a3v s ALA 109 Cb 0.16 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1a3v s ALA 109 CO 0.21 -0.52 -0.06 0.15 0.00 0.00 0.00 175.76 175.54 1a3v s LYS 110 N -2.19 2.21 -0.25 0.00 3.01 -0.77 -4.49 119.74 117.26 1a3v s LYS 110 Ca -0.03 -1.13 -0.29 0.00 -1.01 0.00 0.00 55.97 53.51 1a3v s LYS 110 Cb -0.01 -2.28 -0.02 0.00 -1.01 0.00 0.00 37.83 34.52 1a3v s LYS 110 CO -0.01 0.47 1.49 0.08 0.51 0.00 0.00 175.35 177.88 1a3v s VAL 111 N -1.56 3.88 0.22 3.17 1.01 -1.26 -1.24 120.40 124.61 1a3v s VAL 111 Ca 0.25 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1a3v s VAL 111 Cb -0.10 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1a3v s VAL 111 CO 0.16 -0.36 0.16 0.00 0.00 0.00 0.00 175.10 175.06 1a3v s ALA 112 N 4.85 1.25 -1.17 5.51 0.00 -1.02 -4.92 121.76 126.25 1a3v s ALA 112 Ca 0.65 -1.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1a3v s ALA 112 Cb -0.22 1.40 -0.02 0.00 0.00 0.00 0.00 23.12 24.28 1a3v s ALA 112 CO 0.27 -0.61 0.79 0.66 0.00 0.00 0.00 175.76 176.86 1a3v n TYR 113 N -0.33 -2.03 -2.98 0.00 4.01 -1.26 -3.34 117.16 111.23 1a3v n TYR 113 Ca 0.03 0.65 -0.44 0.00 -0.16 0.00 0.00 57.90 57.97 1a3v n TYR 113 Cb 0.65 -3.84 -0.02 0.00 -0.31 0.00 0.00 39.34 35.83 1a3v n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a3v s VAL 114 N -3.52 4.95 -0.36 -0.72 1.01 -1.26 -4.45 120.40 116.06 1a3v s VAL 114 Ca 0.34 -2.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.10 1a3v s VAL 114 Cb -0.10 -4.79 -0.00 0.00 0.00 0.00 0.00 36.38 31.49 1a3v s VAL 114 CO 0.82 -1.50 0.25 -0.31 0.00 0.00 0.00 175.10 174.36 1a3v s TYR 115 N 1.95 3.23 0.67 5.22 2.02 -1.26 -5.04 117.35 124.14 1a3v s TYR 115 Ca 0.35 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.47 1a3v s TYR 115 Cb -0.05 -2.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.02 1a3v s TYR 115 CO -0.06 -0.46 1.13 0.15 -1.57 0.00 0.00 175.55 174.74 1a3v s LYS 116 N 1.68 2.66 -0.04 -0.62 -0.14 -1.26 -0.89 119.74 121.13 1a3v s LYS 116 Ca 0.05 1.48 0.06 0.00 -1.36 0.00 0.00 55.97 56.21 1a3v s LYS 116 Cb -0.18 -1.93 0.25 0.00 -1.68 0.00 0.00 37.83 34.30 1a3v s LYS 116 CO 0.10 -1.37 1.04 -0.35 -0.76 0.00 0.00 175.35 174.01 1a3v n PRO 117 N -2.45 1.98 -1.75 -1.68 -0.04 -1.26 -4.97 135.00 124.83 1a3v n PRO 117 Ca 0.11 -0.99 -0.40 0.00 -0.04 0.00 0.00 63.50 62.18 1a3v n PRO 117 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1a3v n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a3v n ASN 118 N 0.22 7.89 -1.36 3.54 3.02 -0.07 -4.28 115.26 124.22 1a3v n ASN 118 Ca 0.09 -2.91 -0.00 0.00 -0.03 0.00 0.00 54.58 51.73 1a3v n ASN 118 Cb 0.40 -1.46 -0.01 0.00 -0.61 0.00 0.00 39.78 38.10 1a3v n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1a3v n ASN 119 N 2.81 0.21 -0.36 6.41 6.94 -1.26 -4.51 115.26 125.51 1a3v n ASN 119 Ca 0.66 -2.00 0.07 0.00 -0.02 0.00 0.00 54.58 53.29 1a3v n ASN 119 Cb 0.26 -0.06 0.24 0.00 -2.36 0.00 0.00 39.78 37.86 1a3v n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1a3v h THR 120 N 6.16 0.93 -0.59 5.53 2.02 -1.97 -1.18 112.91 123.81 1a3v h THR 120 Ca -0.36 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1a3v h THR 120 Cb 1.69 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1a3v h THR 120 CO -0.05 0.18 0.00 1.41 0.37 0.00 0.00 175.52 177.43 1a3v n HIS 121 N -4.61 1.34 -0.04 3.16 8.25 -1.26 -4.61 115.22 117.45 1a3v n HIS 121 Ca 0.19 -0.54 -0.08 0.00 -0.26 0.00 0.00 57.72 57.03 1a3v n HIS 121 Cb 0.35 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1a3v n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1a3v h GLU 122 N 3.69 -0.25 -0.48 -0.41 4.81 -1.59 -2.51 114.58 117.84 1a3v h GLU 122 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1a3v h GLU 122 Cb 1.33 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1a3v h GLU 122 CO 0.21 -0.17 0.27 1.96 -0.73 0.00 0.00 179.01 180.56 1a3v h GLN 123 N -0.26 0.65 -0.34 1.92 7.50 -1.81 -0.49 115.11 122.28 1a3v h GLN 123 Ca 0.13 -0.07 0.06 0.00 0.50 0.00 0.00 58.65 59.27 1a3v h GLN 123 Cb 0.46 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.81 1a3v h GLN 123 CO -0.38 0.50 0.00 1.25 -1.50 0.00 0.00 178.83 178.70 1a3v h HIS 124 N 0.63 -0.02 -0.71 2.96 2.76 -1.85 -1.20 115.15 117.72 1a3v h HIS 124 Ca 0.17 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1a3v h HIS 124 Cb 0.03 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1a3v h HIS 124 CO -0.02 -0.06 0.41 -0.07 -1.30 0.00 0.00 177.93 176.89 1a3v h LEU 125 N 0.10 0.87 -1.01 0.26 -0.00 -1.12 -1.80 115.31 112.62 1a3v h LEU 125 Ca 0.17 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.90 1a3v h LEU 125 Cb 0.23 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1a3v h LEU 125 CO -0.28 0.70 -0.02 0.03 -0.00 0.00 0.00 178.44 178.87 1a3v h ARG 126 N 0.98 0.69 -0.53 1.13 3.08 -0.51 0.24 114.38 119.45 1a3v h ARG 126 Ca 0.25 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1a3v h ARG 126 Cb -0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1a3v h ARG 126 CO -0.04 0.72 0.18 1.57 -1.07 0.00 0.00 179.97 181.32 1a3v h LYS 127 N 0.65 0.82 -0.36 0.04 2.10 -0.82 -0.84 116.57 118.16 1a3v h LYS 127 Ca 0.13 -0.17 -0.08 0.00 -2.00 0.00 0.00 60.65 58.52 1a3v h LYS 127 Cb 0.43 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 1a3v h LYS 127 CO 0.02 0.75 -0.12 0.77 -2.00 0.00 0.00 179.45 178.86 1a3v h SER 128 N 0.73 0.63 -0.26 7.07 0.02 -0.90 -2.32 113.55 118.51 1a3v h SER 128 Ca 0.17 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1a3v h SER 128 Cb 0.26 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1a3v h SER 128 CO -0.01 0.78 -0.38 -0.08 -1.14 0.00 0.00 176.83 176.00 1a3v h GLU 129 N 0.58 0.81 -0.45 3.45 4.81 -0.46 -2.63 114.58 120.69 1a3v h GLU 129 Ca 0.10 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1a3v h GLU 129 Cb 0.55 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1a3v h GLU 129 CO 0.03 1.04 0.11 0.00 -0.73 0.00 0.00 179.01 179.46 1a3v h ALA 130 N 0.90 1.35 -0.46 2.92 0.00 -0.97 -1.00 119.26 122.01 1a3v h ALA 130 Ca 0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1a3v h ALA 130 Cb 0.94 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1a3v h ALA 130 CO 0.09 0.46 -0.17 0.37 0.00 0.00 0.00 179.25 180.00 1a3v h GLN 131 N 0.65 0.93 -0.32 0.00 5.75 -1.21 -1.98 115.11 118.93 1a3v h GLN 131 Ca 0.15 -0.39 -0.10 0.00 -0.15 0.00 0.00 58.65 58.16 1a3v h GLN 131 Cb 0.25 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1a3v h GLN 131 CO -0.00 1.05 -0.22 0.00 -2.65 0.00 0.00 178.83 177.00 1a3v h ALA 132 N 0.86 1.02 0.06 3.38 0.00 -1.11 -1.58 119.26 121.89 1a3v h ALA 132 Ca 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1a3v h ALA 132 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1a3v h ALA 132 CO 0.06 0.59 -0.03 0.87 0.00 0.00 0.00 179.25 180.74 1a3v h LYS 133 N 0.54 -0.07 0.00 0.00 1.57 -1.05 0.22 116.57 117.78 1a3v h LYS 133 Ca 0.08 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1a3v h LYS 133 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1a3v h LYS 133 CO 0.05 0.19 -0.18 1.57 -0.57 0.00 0.00 179.45 180.51 1a3v h LYS 134 N -0.33 0.00 -0.01 3.15 2.10 -1.33 0.55 116.57 120.70 1a3v h LYS 134 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1a3v h LYS 134 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1a3v h LYS 134 CO 0.01 0.18 -0.04 0.39 -2.00 0.00 0.00 179.45 177.99 1a3v n GLU 135 N -4.22 1.27 -3.77 0.07 1.02 -0.60 -4.93 120.64 109.46 1a3v n GLU 135 Ca -0.02 -0.56 -0.25 0.00 -0.02 0.00 0.00 57.16 56.31 1a3v n GLU 135 Cb 0.25 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1a3v n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a3v n LYS 136 N -0.38 -5.52 -2.90 3.49 4.76 0.18 -4.94 118.16 112.86 1a3v n LYS 136 Ca 0.19 0.64 -0.40 0.00 -2.87 0.00 0.00 58.31 55.87 1a3v n LYS 136 Cb 0.28 -5.40 -0.05 0.00 -1.84 0.00 0.00 35.03 28.02 1a3v n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1a3v s LEU 137 N -6.98 4.47 0.00 -0.35 1.43 -0.12 -4.02 118.68 113.12 1a3v s LEU 137 Ca 0.33 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1a3v s LEU 137 Cb -0.16 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1a3v s LEU 137 CO 0.81 -0.01 0.00 0.59 0.23 0.00 0.00 176.35 177.97 1a3v n ASN 138 N 2.78 0.00 -0.05 2.29 3.02 -1.26 0.38 115.26 122.42 1a3v n ASN 138 Ca -0.01 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.79 1a3v n ASN 138 Cb 0.50 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 40.38 1a3v n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1a3v h ILE 139 N 0.00 0.39 -0.49 2.41 2.04 -1.65 0.19 117.51 120.40 1a3v h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1a3v h ILE 139 Cb 0.00 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1a3v h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1a3v n TRP 140 N -3.86 1.09 -0.19 1.37 7.02 0.16 -5.13 117.44 117.90 1a3v n TRP 140 Ca 0.14 -0.44 0.00 0.00 -1.02 0.00 0.00 57.50 56.18 1a3v n TRP 140 Cb 0.86 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 1a3v n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54