#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3t s HIS 8 N 0.00 2.33 0.26 -1.77 5.65 -1.26 -5.11 115.29 115.38 1a3t s HIS 8 Ca 0.00 -0.88 -0.19 0.00 0.25 0.00 0.00 55.06 54.24 1a3t s HIS 8 Cb 0.00 -1.56 -0.09 0.00 -1.18 0.00 0.00 32.58 29.75 1a3t s HIS 8 CO 0.00 -0.34 0.75 0.15 -0.65 0.00 0.00 174.74 174.64 1a3t s LYS 9 N 0.27 4.20 -0.00 2.88 1.02 -1.26 -4.45 119.74 122.39 1a3t s LYS 9 Ca -0.14 0.85 0.02 0.00 0.02 0.00 0.00 55.97 56.72 1a3t s LYS 9 Cb -0.16 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1a3t s LYS 9 CO 0.07 0.31 -0.07 -1.21 -0.92 0.00 0.00 175.35 173.53 1a3t s GLU 10 N -2.27 0.58 0.65 1.68 2.02 -0.24 -4.95 118.70 116.17 1a3t s GLU 10 Ca 0.47 -0.27 -0.16 0.00 0.02 0.00 0.00 54.97 55.03 1a3t s GLU 10 Cb -0.15 -0.56 -0.00 0.00 0.10 0.00 0.00 34.13 33.52 1a3t s GLU 10 CO 0.20 0.15 1.16 -1.25 0.02 0.00 0.00 175.26 175.54 1a3t s PRO 11 N -0.20 2.72 0.22 0.39 0.04 -1.26 -0.33 135.00 136.58 1a3t s PRO 11 Ca 0.03 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1a3t s PRO 11 Cb -0.03 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1a3t s PRO 11 CO -0.00 -1.35 0.42 0.00 0.04 0.00 0.00 177.00 176.10 1a3t s ALA 12 N -2.01 -0.14 -0.08 8.56 0.00 -0.45 -4.74 121.76 122.90 1a3t s ALA 12 Ca 0.72 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1a3t s ALA 12 Cb -0.25 1.04 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1a3t s ALA 12 CO 0.39 -0.79 -0.09 0.99 0.00 0.00 0.00 175.76 176.26 1a3t s THR 13 N -4.01 0.96 0.21 0.00 2.01 -0.90 -4.19 115.64 109.72 1a3t s THR 13 Ca 0.22 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1a3t s THR 13 Cb 0.01 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.48 1a3t s THR 13 CO 0.07 0.33 1.53 -0.22 -0.69 0.00 0.00 174.62 175.64 1a3t s LEU 14 N 1.11 4.37 -0.17 4.42 1.98 -1.26 -0.41 118.68 128.72 1a3t s LEU 14 Ca -0.07 2.67 -0.10 0.00 -2.89 0.00 0.00 54.13 53.75 1a3t s LEU 14 Cb -0.14 -3.61 -0.07 0.00 0.66 0.00 0.00 46.19 43.03 1a3t s LEU 14 CO -0.01 -0.79 -0.24 -0.38 -1.89 0.00 0.00 176.35 173.03 1a3t n ILE 15 N 3.21 1.12 -3.64 6.68 5.41 0.29 -4.83 119.36 127.60 1a3t n ILE 15 Ca 0.11 -0.16 -0.05 0.00 1.00 0.00 0.00 62.75 63.65 1a3t n ILE 15 Cb 0.39 -1.83 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 1a3t n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1a3t s LYS 16 N -2.40 0.65 0.05 0.38 2.20 -0.78 -4.98 119.74 114.85 1a3t s LYS 16 Ca -0.25 1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 56.31 1a3t s LYS 16 Cb 0.09 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1a3t s LYS 16 CO 0.32 -0.16 0.93 0.00 -0.36 0.00 0.00 175.35 176.09 1a3t s ALA 17 N 1.95 3.23 -0.23 3.13 0.00 -1.26 -0.07 121.76 128.51 1a3t s ALA 17 Ca -0.09 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 1a3t s ALA 17 Cb -0.07 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1a3t s ALA 17 CO -0.19 -0.11 -0.33 -0.89 0.00 0.00 0.00 175.76 174.24 1a3t n ILE 18 N 3.30 1.45 -2.92 0.00 5.41 -0.66 -4.93 119.36 121.02 1a3t n ILE 18 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1a3t n ILE 18 Cb 0.50 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 1a3t n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a3t n ASP 19 N -4.25 0.00 -0.09 4.38 5.75 -0.74 -5.00 116.55 116.60 1a3t n ASP 19 Ca -0.38 -0.61 0.12 0.00 -0.01 0.00 0.00 54.79 53.91 1a3t n ASP 19 Cb 0.73 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.32 1a3t n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1a3t h GLY 20 N 0.00 0.57 0.00 6.12 0.00 -1.83 -3.24 103.07 104.69 1a3t h GLY 20 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1a3t h GLY 20 CO 0.00 0.10 0.00 2.09 0.00 0.00 0.00 176.54 178.73 1a3t n ASP 21 N -4.47 1.34 -4.18 0.19 5.68 -1.26 -4.81 116.55 109.05 1a3t n ASP 21 Ca 0.10 -1.58 -0.13 0.00 -0.50 0.00 0.00 54.79 52.68 1a3t n ASP 21 Cb 0.38 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.26 1a3t n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a3t s THR 22 N -0.58 0.88 -0.06 2.12 2.01 -1.22 -1.42 115.64 117.36 1a3t s THR 22 Ca 0.00 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.29 1a3t s THR 22 Cb 0.00 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1a3t s THR 22 CO 0.00 -0.65 -0.11 -0.54 -0.69 0.00 0.00 174.62 172.63 1a3t s LYS 24 N -3.10 1.50 0.14 4.92 1.02 0.90 -1.65 119.74 123.47 1a3t s LYS 24 Ca 0.08 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 55.77 1a3t s LYS 24 Cb -0.01 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1a3t s LYS 24 CO -0.01 0.01 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.81 1a3t s LEU 25 N 0.68 2.49 -0.41 3.17 1.43 0.13 -0.55 118.68 125.62 1a3t s LEU 25 Ca -0.14 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 51.85 1a3t s LEU 25 Cb -0.15 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.66 1a3t s LEU 25 CO 0.03 -0.26 0.41 -0.32 0.23 0.00 0.00 176.35 176.44 1a3t s MET 26 N -3.40 3.11 -0.06 1.70 -2.45 0.46 0.08 119.30 118.74 1a3t s MET 26 Ca 0.14 -0.78 0.04 0.00 -1.25 0.00 0.00 55.69 53.85 1a3t s MET 26 Cb -0.00 -3.96 -0.00 0.00 1.25 0.00 0.00 34.83 32.12 1a3t s MET 26 CO 0.02 -0.82 -0.20 -0.47 1.05 0.00 0.00 175.02 174.60 1a3t s TYR 27 N 2.06 2.04 -1.52 4.11 5.04 0.97 -2.12 117.35 127.94 1a3t s TYR 27 Ca 0.11 -0.69 -0.08 0.00 -2.44 0.00 0.00 57.07 53.97 1a3t s TYR 27 Cb -0.17 -1.38 0.07 0.00 0.35 0.00 0.00 41.96 40.83 1a3t s TYR 27 CO 0.13 -0.26 0.66 1.63 -1.34 0.00 0.00 175.55 176.37 1a3t n LYS 28 N 3.30 -3.79 0.00 4.97 4.01 -1.26 -0.05 118.16 125.34 1a3t n LYS 28 Ca -0.19 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1a3t n LYS 28 Cb 0.53 -4.93 0.00 0.00 -0.51 0.00 0.00 35.03 30.11 1a3t n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a3t n GLY 29 N -1.72 2.94 3.32 0.72 0.00 -1.26 -5.00 105.19 104.19 1a3t n GLY 29 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1a3t n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a3t s GLN 30 N 0.00 1.60 0.22 1.61 0.00 0.93 -5.08 119.66 118.93 1a3t s GLN 30 Ca 0.00 -1.08 -0.30 0.00 -0.00 0.00 0.00 55.36 53.98 1a3t s GLN 30 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 33.01 31.14 1a3t s GLN 30 CO 0.00 0.46 1.15 -1.25 0.00 0.00 0.00 175.29 175.64 1a3t s PRO 31 N -1.33 4.56 -0.01 9.60 0.04 -1.26 -0.02 135.00 146.58 1a3t s PRO 31 Ca 0.10 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1a3t s PRO 31 Cb -0.10 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1a3t s PRO 31 CO 0.02 0.04 0.24 -1.64 0.04 0.00 0.00 177.00 175.70 1a3t s MET 32 N -0.68 0.60 -0.05 4.56 -1.94 0.11 -4.92 119.30 116.98 1a3t s MET 32 Ca 0.49 -0.28 -0.14 0.00 -1.71 0.00 0.00 55.69 54.06 1a3t s MET 32 Cb -0.32 0.26 -0.05 0.00 2.01 0.00 0.00 34.83 36.73 1a3t s MET 32 CO 0.38 -0.16 0.35 -0.08 -0.01 0.00 0.00 175.02 175.51 1a3t s THR 33 N -1.36 5.16 0.15 2.05 -1.32 -1.26 0.22 115.64 119.29 1a3t s THR 33 Ca -0.14 0.70 0.08 0.00 -1.21 0.00 0.00 61.69 61.13 1a3t s THR 33 Cb -0.06 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 1a3t s THR 33 CO 0.03 0.54 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.51 1a3t s PHE 34 N -0.69 2.64 -0.07 9.09 0.40 -1.26 -1.75 117.98 126.34 1a3t s PHE 34 Ca 0.21 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1a3t s PHE 34 Cb -0.15 -1.33 0.02 0.00 0.51 0.00 0.00 43.02 42.07 1a3t s PHE 34 CO 0.10 0.47 -0.08 0.50 0.70 0.00 0.00 175.22 176.92 1a3t s ARG 35 N -2.57 1.29 0.27 0.44 6.06 -0.37 -4.20 118.95 119.87 1a3t s ARG 35 Ca 0.23 -0.23 -0.30 0.00 -2.50 0.00 0.00 55.73 52.93 1a3t s ARG 35 Cb -0.10 -1.24 -0.11 0.00 0.06 0.00 0.00 34.95 33.56 1a3t s ARG 35 CO 0.14 -0.11 1.55 -0.51 -2.50 0.00 0.00 175.30 173.86 1a3t s LEU 36 N 1.14 4.36 0.41 -0.88 1.43 -0.51 -3.16 118.68 121.47 1a3t s LEU 36 Ca -0.07 2.84 -0.24 0.00 -1.03 0.00 0.00 54.13 55.63 1a3t s LEU 36 Cb -0.14 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.37 1a3t s LEU 36 CO -0.01 -0.84 1.11 -0.76 0.23 0.00 0.00 176.35 176.07 1a3t s LEU 37 N -0.31 4.14 -0.45 1.79 1.43 0.14 -4.13 118.68 121.29 1a3t s LEU 37 Ca 0.63 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 1a3t s LEU 37 Cb -0.46 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1a3t s LEU 37 CO 0.45 -0.62 0.00 0.18 0.23 0.00 0.00 176.35 176.59 1a3t n LEU 38 N -0.07 0.38 -4.21 1.79 4.77 -1.26 -4.93 117.00 113.48 1a3t n LEU 38 Ca 0.05 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1a3t n LEU 38 Cb 0.48 -2.35 -0.10 0.00 -2.33 0.00 0.00 43.42 39.12 1a3t n LEU 38 CO 0.47 -0.91 -0.27 0.68 -1.33 0.00 0.00 177.39 176.03 1a3t s VAL 39 N -1.47 0.20 -0.24 4.08 -7.23 -1.20 -1.37 120.40 113.17 1a3t s VAL 39 Ca 0.00 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1a3t s VAL 39 Cb 0.00 -2.33 0.12 0.00 0.56 0.00 0.00 36.38 34.73 1a3t s VAL 39 CO 0.00 -0.21 0.29 -0.62 -0.31 0.00 0.00 175.10 174.25 1a3t s ASP 40 N -3.15 1.11 0.44 4.85 2.15 0.26 -4.64 116.67 117.69 1a3t s ASP 40 Ca 0.32 -0.23 -0.12 0.00 0.43 0.00 0.00 52.55 52.95 1a3t s ASP 40 Cb 0.07 0.63 -0.07 0.00 -0.30 0.00 0.00 42.92 43.26 1a3t s ASP 40 CO 0.08 -0.33 0.83 0.42 -0.17 0.00 0.00 175.17 176.00 1a3t s THR 41 N 2.40 4.70 0.54 1.71 -4.23 -1.26 -2.13 115.64 117.38 1a3t s THR 41 Ca 0.09 0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 61.20 1a3t s THR 41 Cb -0.15 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 1a3t s THR 41 CO -0.18 -0.56 1.29 -2.84 -0.54 0.00 0.00 174.62 171.78 1a3t s PRO 42 N -3.89 3.21 0.40 3.99 0.02 -1.26 -4.91 135.00 132.56 1a3t s PRO 42 Ca 0.54 2.06 -0.26 0.00 0.02 0.00 0.00 61.00 63.36 1a3t s PRO 42 Cb -0.10 -2.21 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 1a3t s PRO 42 CO 0.31 -1.08 1.26 -2.00 -0.33 0.00 0.00 177.00 175.16 1a3t s GLU 43 N -2.96 3.99 0.00 5.54 2.56 -1.26 -4.46 118.70 122.10 1a3t s GLU 43 Ca 0.72 2.06 0.00 0.00 0.00 0.00 0.00 54.97 57.75 1a3t s GLU 43 Cb -0.36 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.04 1a3t s GLU 43 CO 0.42 -0.45 0.08 0.25 -0.56 0.00 0.00 175.26 175.00 1a3t n THR 44 N 0.11 0.00 0.00 -1.70 -2.24 -1.26 -0.00 114.28 109.19 1a3t n THR 44 Ca 0.04 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1a3t n THR 44 Cb 0.44 1.48 0.00 0.00 -2.10 0.00 0.00 70.33 70.16 1a3t n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a3t n LYS 45 N -0.09 0.00 -1.63 -0.78 4.01 -1.26 -4.67 118.16 113.73 1a3t n LYS 45 Ca 0.00 0.00 -0.63 0.00 -0.51 0.00 0.00 58.31 57.17 1a3t n LYS 45 Cb 0.12 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.54 1a3t n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1a3t n HIS 46 N -1.18 1.71 -0.08 2.13 -0.00 -1.26 -4.67 115.22 111.88 1a3t n HIS 46 Ca 0.00 0.90 0.17 0.00 0.46 0.00 0.00 57.72 59.24 1a3t n HIS 46 Cb 0.00 -2.31 0.59 0.00 -0.12 0.00 0.00 29.99 28.15 1a3t n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a3t h PRO 47 N 6.62 0.22 0.00 1.57 0.11 -1.95 0.42 132.00 138.99 1a3t h PRO 47 Ca -0.37 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1a3t h PRO 47 Cb 1.36 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1a3t h PRO 47 CO 1.00 0.15 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.65 1a3t h LYS 48 N 0.23 0.00 0.00 1.05 3.64 -2.05 -3.04 116.57 116.40 1a3t h LYS 48 Ca 0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1a3t h LYS 48 Cb 0.86 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1a3t h LYS 48 CO -0.06 0.06 -1.33 1.63 -2.27 0.00 0.00 179.45 177.48 1a3t n LYS 49 N -3.49 0.83 -0.46 1.90 5.02 0.26 -5.12 118.16 117.09 1a3t n LYS 49 Ca -0.02 -0.05 0.06 0.00 -2.02 0.00 0.00 58.31 56.29 1a3t n LYS 49 Cb 0.19 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1a3t n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a3t n GLY 50 N 2.23 -1.58 3.55 0.72 0.00 0.12 -4.32 105.19 105.92 1a3t n GLY 50 Ca -0.03 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1a3t n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3t s VAL 51 N -0.83 3.82 0.66 1.61 1.01 -1.26 -4.06 120.40 121.35 1a3t s VAL 51 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1a3t s VAL 51 Cb 0.00 -4.95 -0.00 0.00 0.00 0.00 0.00 36.38 31.42 1a3t s VAL 51 CO 0.00 -1.87 1.09 -1.61 0.00 0.00 0.00 175.10 172.71 1a3t s GLU 52 N 5.40 2.87 0.27 2.72 2.02 1.00 -4.96 118.70 128.02 1a3t s GLU 52 Ca 0.38 1.29 -0.30 0.00 0.02 0.00 0.00 54.97 56.36 1a3t s GLU 52 Cb -0.06 -1.97 -0.11 0.00 0.10 0.00 0.00 34.13 32.10 1a3t s GLU 52 CO 0.07 -1.18 1.52 0.21 0.02 0.00 0.00 175.26 175.89 1a3t s LYS 53 N -4.26 4.20 0.00 1.61 2.47 -1.26 -1.71 119.74 120.78 1a3t s LYS 53 Ca 0.65 2.44 0.00 0.00 -1.56 0.00 0.00 55.97 57.49 1a3t s LYS 53 Cb -0.18 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 1a3t s LYS 53 CO 0.43 -0.53 0.00 0.66 0.16 0.00 0.00 175.35 176.07 1a3t n TYR 54 N 2.31 0.00 0.31 4.03 4.01 -1.26 -4.77 117.16 121.78 1a3t n TYR 54 Ca 0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.65 1a3t n TYR 54 Cb 0.39 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 1a3t n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1a3t h GLY 55 N 0.00 -0.87 1.12 2.72 0.00 -1.55 0.36 103.07 104.86 1a3t h GLY 55 Ca 0.00 0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.74 1a3t h GLY 55 CO 0.00 -0.32 0.44 -2.55 0.00 0.00 0.00 176.54 174.11 1a3t h PRO 56 N -0.82 0.66 -0.11 4.80 0.11 -1.87 -0.84 132.00 133.94 1a3t h PRO 56 Ca -0.07 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1a3t h PRO 56 Cb 0.66 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1a3t h PRO 56 CO 0.08 0.44 -0.10 0.93 -0.21 0.00 0.00 178.00 179.14 1a3t h GLU 57 N 0.68 0.26 -0.82 1.05 3.07 -1.83 -1.40 114.58 115.59 1a3t h GLU 57 Ca 0.28 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1a3t h GLU 57 Cb 0.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 1a3t h GLU 57 CO -0.09 0.66 0.45 0.00 -1.40 0.00 0.00 179.01 178.63 1a3t h ALA 58 N 0.60 1.24 -0.51 3.43 0.00 0.20 0.04 119.26 124.27 1a3t h ALA 58 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1a3t h ALA 58 Cb 0.61 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1a3t h ALA 58 CO 0.03 0.61 0.01 0.77 0.00 0.00 0.00 179.25 180.67 1a3t h SER 59 N 1.15 0.81 -0.12 0.00 0.02 -1.08 -1.98 113.55 112.35 1a3t h SER 59 Ca 0.29 -0.19 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 1a3t h SER 59 Cb 0.03 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1a3t h SER 59 CO -0.05 0.86 -0.59 0.00 -1.14 0.00 0.00 176.83 175.92 1a3t h ALA 60 N 1.23 0.54 0.62 3.77 0.00 -0.08 -2.22 119.26 123.12 1a3t h ALA 60 Ca 0.15 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1a3t h ALA 60 Cb 0.45 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1a3t h ALA 60 CO 0.02 0.69 -0.30 0.35 0.00 0.00 0.00 179.25 180.01 1a3t h PHE 61 N 0.54 -0.77 -0.21 0.00 3.57 -0.83 -2.05 116.94 117.19 1a3t h PHE 61 Ca 0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1a3t h PHE 61 Cb 1.18 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 1a3t h PHE 61 CO 0.06 -0.47 -0.06 1.15 -2.23 0.00 0.00 178.31 176.75 1a3t h THR 62 N -0.84 0.76 -0.06 4.41 2.02 -1.41 -1.91 112.91 115.88 1a3t h THR 62 Ca -0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1a3t h THR 62 Cb 0.64 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1a3t h THR 62 CO 0.14 0.00 -0.28 0.50 0.37 0.00 0.00 175.52 176.25 1a3t h LYS 63 N -0.02 -0.37 -0.60 6.66 3.64 -1.34 -0.22 116.57 124.33 1a3t h LYS 63 Ca 0.11 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1a3t h LYS 63 Cb 0.18 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1a3t h LYS 63 CO -0.23 -0.25 0.30 0.87 -2.27 0.00 0.00 179.45 177.87 1a3t h LYS 64 N -0.39 0.54 -0.59 1.90 6.56 -1.20 -0.01 116.57 123.38 1a3t h LYS 64 Ca 0.08 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1a3t h LYS 64 Cb 0.50 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 1a3t h LYS 64 CO -0.28 0.36 0.31 1.98 -2.06 0.00 0.00 179.45 179.76 1a3t h MET 65 N 0.56 0.83 0.00 3.15 4.05 -0.58 -2.16 114.93 120.78 1a3t h MET 65 Ca 0.27 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.51 1a3t h MET 65 Cb 0.21 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1a3t h MET 65 CO -0.20 0.64 -0.89 -0.39 0.23 0.00 0.00 176.91 176.30 1a3t h VAL 66 N 0.80 0.36 0.03 -5.77 -1.51 -0.76 -3.32 116.25 106.08 1a3t h VAL 66 Ca 0.21 -1.61 -0.22 0.00 -1.23 0.00 0.00 66.70 63.85 1a3t h VAL 66 Cb 0.07 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1a3t h VAL 66 CO -0.03 0.20 -0.98 -0.33 -1.23 0.00 0.00 177.57 175.20 1a3t h GLU 67 N 0.00 0.25 -0.57 5.19 5.08 -0.90 -3.26 114.58 120.37 1a3t h GLU 67 Ca -0.06 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1a3t h GLU 67 Cb 1.28 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1a3t h GLU 67 CO 0.03 1.05 0.00 0.09 -1.00 0.00 0.00 179.01 179.18 1a3t n ASN 68 N -3.63 3.15 -4.86 1.42 5.03 -0.82 -4.94 115.26 110.61 1a3t n ASN 68 Ca -0.05 -2.17 -0.34 0.00 0.87 0.00 0.00 54.58 52.89 1a3t n ASN 68 Cb 0.87 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 39.16 1a3t n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a3t s ALA 69 N -1.55 3.58 -0.01 5.41 0.00 -1.23 -4.99 121.76 122.97 1a3t s ALA 69 Ca 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 1a3t s ALA 69 Cb 0.21 -2.48 -0.28 0.00 0.00 0.00 0.00 23.12 20.57 1a3t s ALA 69 CO 0.20 0.48 0.82 0.87 0.00 0.00 0.00 175.76 178.13 1a3t h LYS 70 N 3.13 0.28 -4.45 0.00 1.57 -1.92 -3.47 116.57 111.71 1a3t h LYS 70 Ca -0.48 -0.47 -0.42 0.00 -1.87 0.00 0.00 60.65 57.41 1a3t h LYS 70 Cb 1.18 0.18 -0.31 0.00 0.08 0.00 0.00 32.23 33.35 1a3t h LYS 70 CO 0.67 1.15 -0.78 0.15 -0.57 0.00 0.00 179.45 180.07 1a3t s LYS 71 N -2.61 0.93 -0.05 3.15 1.02 -1.26 -5.03 119.74 115.88 1a3t s LYS 71 Ca -0.10 -0.26 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1a3t s LYS 71 Cb 0.07 -0.87 -0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1a3t s LYS 71 CO 0.85 0.07 -0.22 0.42 -0.92 0.00 0.00 175.35 175.55 1a3t s ILE 72 N 0.33 1.82 -0.00 2.17 1.01 -1.26 -0.75 121.20 124.52 1a3t s ILE 72 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1a3t s ILE 72 Cb -0.10 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1a3t s ILE 72 CO 0.01 0.51 -0.07 -1.61 0.00 0.00 0.00 174.94 173.77 1a3t s GLU 73 N -0.13 0.58 -0.03 2.79 2.02 -0.62 -1.34 118.70 121.96 1a3t s GLU 73 Ca -0.03 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1a3t s GLU 73 Cb -0.13 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 1a3t s GLU 73 CO 0.03 0.15 -0.00 0.14 0.02 0.00 0.00 175.26 175.60 1a3t s VAL 74 N -0.26 4.20 -0.27 2.63 -7.23 0.55 -0.32 120.40 119.71 1a3t s VAL 74 Ca 0.02 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 59.71 1a3t s VAL 74 Cb -0.03 -2.83 0.09 0.00 0.56 0.00 0.00 36.38 34.16 1a3t s VAL 74 CO -0.00 0.47 0.08 -0.70 -0.31 0.00 0.00 175.10 174.63 1a3t s GLU 75 N -1.28 0.65 0.51 4.82 2.12 -0.04 -1.08 118.70 124.40 1a3t s GLU 75 Ca 0.17 -0.79 -0.19 0.00 0.36 0.00 0.00 54.97 54.52 1a3t s GLU 75 Cb -0.11 -1.93 -0.07 0.00 0.26 0.00 0.00 34.13 32.27 1a3t s GLU 75 CO 0.07 -0.87 1.04 -0.06 -0.54 0.00 0.00 175.26 174.90 1a3t s PHE 76 N 1.75 3.00 0.00 5.30 0.08 -1.26 -1.29 117.98 125.55 1a3t s PHE 76 Ca 0.06 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.67 1a3t s PHE 76 Cb -0.17 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1a3t s PHE 76 CO -0.21 -0.90 0.00 -3.47 -0.10 0.00 0.00 175.22 170.54 1a3t n ASP 77 N -1.23 0.00 -0.14 1.36 -0.08 -1.26 -4.71 116.55 110.49 1a3t n ASP 77 Ca 0.09 -0.44 0.12 0.00 -1.51 0.00 0.00 54.79 53.06 1a3t n ASP 77 Cb 0.53 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.26 1a3t n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1a3t n LYS 78 N -0.44 0.47 0.00 -0.67 2.85 -1.26 -4.90 118.16 114.21 1a3t n LYS 78 Ca 0.00 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 1a3t n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1a3t n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a3t n GLY 79 N 1.42 1.77 3.77 2.58 0.00 -1.26 -4.96 105.19 108.50 1a3t n GLY 79 Ca 0.09 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1a3t n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a3t s GLN 80 N 3.95 4.00 0.00 1.61 -2.07 -1.26 -4.96 119.66 120.94 1a3t s GLN 80 Ca 0.00 2.05 0.25 0.00 -1.82 0.00 0.00 55.36 55.84 1a3t s GLN 80 Cb 0.00 -2.74 0.46 0.00 -1.09 0.00 0.00 33.01 29.64 1a3t s GLN 80 CO 0.00 -0.43 1.38 0.54 -1.32 0.00 0.00 175.29 175.47 1a3t n ARG 81 N 0.13 1.14 -3.95 9.60 1.74 -1.26 -4.79 116.66 119.27 1a3t n ARG 81 Ca 0.04 -0.81 -0.10 0.00 -0.77 0.00 0.00 57.85 56.21 1a3t n ARG 81 Cb 0.44 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 1a3t n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a3t s THR 82 N -2.42 0.10 0.49 0.55 -4.23 -1.26 -0.30 115.64 108.57 1a3t s THR 82 Ca 0.24 -0.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1a3t s THR 82 Cb 0.19 -0.29 0.10 0.00 1.34 0.00 0.00 72.50 73.84 1a3t s THR 82 CO 0.51 -0.46 0.67 -0.90 -0.54 0.00 0.00 174.62 173.90 1a3t n ASP 83 N 1.61 0.89 0.28 3.99 5.68 -0.17 -4.88 116.55 123.95 1a3t n ASP 83 Ca -0.23 -1.76 0.19 0.00 -0.50 0.00 0.00 54.79 52.49 1a3t n ASP 83 Cb 0.55 -0.44 0.99 0.00 -1.14 0.00 0.00 41.12 41.09 1a3t n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1a3t h LYS 84 N 0.00 0.00 -0.41 0.11 2.10 -2.02 -1.76 116.57 114.59 1a3t h LYS 84 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1a3t h LYS 84 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1a3t h LYS 84 CO 0.24 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.35 1a3t n TYR 85 N -2.81 0.54 -0.90 0.07 4.01 -1.26 -4.93 117.16 111.88 1a3t n TYR 85 Ca -0.02 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1a3t n TYR 85 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1a3t n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a3t n GLY 86 N 1.37 0.55 3.75 2.72 0.00 -0.66 -5.03 105.19 107.89 1a3t n GLY 86 Ca 0.18 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1a3t n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a3t s ARG 87 N -0.18 4.50 0.37 1.61 0.52 -1.26 -4.80 118.95 119.71 1a3t s ARG 87 Ca 0.00 1.08 -0.27 0.00 -0.52 0.00 0.00 55.73 56.02 1a3t s ARG 87 Cb 0.00 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 32.03 1a3t s ARG 87 CO 0.00 0.32 1.26 0.20 0.02 0.00 0.00 175.30 177.10 1a3t s GLY 88 N -0.20 2.95 -0.31 -3.53 0.00 -0.72 -1.00 107.32 104.52 1a3t s GLY 88 Ca 0.38 1.15 -0.07 0.00 0.00 0.00 0.00 44.72 46.19 1a3t s GLY 88 CO 0.23 1.74 0.09 1.08 0.00 0.00 0.00 173.10 176.24 1a3t s LEU 89 N -2.15 3.97 0.29 0.66 1.43 0.58 -1.24 118.68 122.24 1a3t s LEU 89 Ca 0.53 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 1a3t s LEU 89 Cb -0.36 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1a3t s LEU 89 CO 0.47 -0.23 0.61 0.00 0.23 0.00 0.00 176.35 177.43 1a3t s ALA 90 N 1.47 -0.50 -0.25 4.21 0.00 -1.19 -4.33 121.76 121.18 1a3t s ALA 90 Ca 0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1a3t s ALA 90 Cb -0.18 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1a3t s ALA 90 CO 0.02 -0.93 0.15 0.71 0.00 0.00 0.00 175.76 175.72 1a3t s TYR 91 N -3.55 3.27 -0.11 0.00 2.02 -0.42 -0.68 117.35 117.88 1a3t s TYR 91 Ca 0.19 0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 1a3t s TYR 91 Cb -0.03 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1a3t s TYR 91 CO 0.10 -0.01 0.05 0.42 -1.57 0.00 0.00 175.55 174.54 1a3t s ILE 92 N 1.22 4.71 -0.08 2.71 -1.09 -1.26 -0.86 121.20 126.54 1a3t s ILE 92 Ca 0.07 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1a3t s ILE 92 Cb -0.14 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1a3t s ILE 92 CO 0.06 0.59 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.86 1a3t s TYR 93 N -0.77 2.62 -0.27 3.97 1.51 0.57 -0.83 117.35 124.14 1a3t s TYR 93 Ca 0.12 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1a3t s TYR 93 Cb -0.12 -1.69 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1a3t s TYR 93 CO 0.03 -0.16 -0.06 0.00 -1.11 0.00 0.00 175.55 174.25 1a3t s ALA 94 N -0.07 2.68 -1.49 3.71 0.00 0.52 -1.59 121.76 125.52 1a3t s ALA 94 Ca -0.04 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.12 1a3t s ALA 94 Cb -0.14 -1.73 0.06 0.00 0.00 0.00 0.00 23.12 21.31 1a3t s ALA 94 CO 0.04 -1.15 0.77 -0.25 0.00 0.00 0.00 175.76 175.17 1a3t n ASP 95 N 4.55 -2.78 0.00 0.00 8.00 0.07 -0.64 116.55 125.76 1a3t n ASP 95 Ca -0.14 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1a3t n ASP 95 Cb 0.43 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 1a3t n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3t n GLY 96 N -1.67 1.22 3.57 0.44 0.00 -1.26 -5.00 105.19 102.47 1a3t n GLY 96 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1a3t n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3t s LYS 97 N -0.04 3.88 -0.18 1.61 1.02 0.19 -5.03 119.74 121.18 1a3t s LYS 97 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 1a3t s LYS 97 Cb 0.00 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1a3t s LYS 97 CO 0.00 -0.00 1.64 1.41 -0.92 0.00 0.00 175.35 177.47 1a3t s MET 98 N 1.17 3.88 0.24 1.68 1.75 -1.26 -0.35 119.30 126.40 1a3t s MET 98 Ca 0.05 1.80 -0.07 0.00 -1.25 0.00 0.00 55.69 56.23 1a3t s MET 98 Cb -0.14 -4.03 0.23 0.00 2.84 0.00 0.00 34.83 33.73 1a3t s MET 98 CO 0.04 -1.20 1.90 0.28 -0.65 0.00 0.00 175.02 175.39 1a3t h VAL 99 N 6.03 1.25 -0.41 10.11 2.07 -1.35 -2.01 116.25 131.94 1a3t h VAL 99 Ca -0.35 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 66.73 1a3t h VAL 99 Cb 1.16 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1a3t h VAL 99 CO 0.99 0.25 0.06 0.78 0.02 0.00 0.00 177.57 179.68 1a3t h ASN 100 N 1.29 -0.03 -0.23 0.57 4.21 -1.91 -2.23 115.58 117.26 1a3t h ASN 100 Ca 0.34 0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.88 1a3t h ASN 100 Cb -0.10 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 1a3t h ASN 100 CO -0.07 0.02 -0.06 -0.08 -1.29 0.00 0.00 177.43 175.95 1a3t h GLU 101 N 0.19 0.44 -0.69 0.81 4.22 -1.87 -2.99 114.58 114.69 1a3t h GLU 101 Ca 0.20 -0.17 0.12 0.00 0.08 0.00 0.00 59.36 59.59 1a3t h GLU 101 Cb 0.26 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1a3t h GLU 101 CO -0.28 0.68 0.25 0.00 -2.18 0.00 0.00 179.01 177.47 1a3t h ALA 102 N 0.75 0.92 -0.32 2.92 0.00 -1.03 0.20 119.26 122.70 1a3t h ALA 102 Ca 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1a3t h ALA 102 Cb 0.52 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1a3t h ALA 102 CO 0.02 -0.22 -0.00 -0.07 0.00 0.00 0.00 179.25 178.98 1a3t h LEU 103 N 0.40 0.55 -0.05 0.00 3.38 -1.43 -2.09 115.31 116.06 1a3t h LEU 103 Ca 0.37 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1a3t h LEU 103 Cb 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1a3t h LEU 103 CO -0.38 0.73 0.03 0.58 0.09 0.00 0.00 178.44 179.49 1a3t h VAL 104 N 0.36 1.02 -0.10 1.22 2.07 -1.25 -0.49 116.25 119.09 1a3t h VAL 104 Ca 0.09 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1a3t h VAL 104 Cb 0.45 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1a3t h VAL 104 CO 0.02 0.02 0.07 -0.09 0.02 0.00 0.00 177.57 177.61 1a3t h ARG 105 N 0.06 0.00 -0.00 1.57 9.65 -0.54 -1.47 114.38 123.64 1a3t h ARG 105 Ca 0.02 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1a3t h ARG 105 Cb 0.01 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1a3t h ARG 105 CO -0.00 0.00 -0.25 1.04 2.80 0.00 0.00 179.97 183.56 1a3t n GLN 106 N -4.51 0.07 -1.58 0.20 1.13 -0.80 -4.41 117.38 107.49 1a3t n GLN 106 Ca -0.01 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1a3t n GLN 106 Cb 0.19 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1a3t n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a3t n GLY 107 N 1.48 0.48 0.65 1.08 0.00 -0.55 -4.35 105.19 103.98 1a3t n GLY 107 Ca 0.07 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.29 1a3t n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a3t n LEU 108 N 0.00 2.44 -3.57 0.99 4.77 -0.25 -0.97 117.00 120.42 1a3t n LEU 108 Ca 0.00 -1.20 -0.14 0.00 -0.03 0.00 0.00 56.01 54.64 1a3t n LEU 108 Cb 0.33 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1a3t n LEU 108 CO 0.00 0.49 0.28 0.00 -1.33 0.00 0.00 177.39 176.83 1a3t s ALA 109 N -1.20 -1.33 0.10 -1.18 0.00 -1.21 -4.32 121.76 112.63 1a3t s ALA 109 Ca 0.20 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1a3t s ALA 109 Cb 0.13 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1a3t s ALA 109 CO 0.19 -0.53 -0.11 0.15 0.00 0.00 0.00 175.76 175.46 1a3t s LYS 110 N -2.58 2.11 -0.02 0.00 1.02 -0.91 -4.48 119.74 114.88 1a3t s LYS 110 Ca -0.05 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1a3t s LYS 110 Cb -0.01 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 1a3t s LYS 110 CO -0.03 0.51 1.29 0.08 -0.92 0.00 0.00 175.35 176.28 1a3t s VAL 111 N -1.18 3.98 0.29 3.17 1.01 -1.26 -0.57 120.40 125.84 1a3t s VAL 111 Ca 0.20 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 1a3t s VAL 111 Cb -0.11 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1a3t s VAL 111 CO 0.12 0.01 0.64 0.00 0.00 0.00 0.00 175.10 175.87 1a3t s ALA 112 N 2.18 -0.72 -1.29 5.51 0.00 -0.47 -4.89 121.76 122.08 1a3t s ALA 112 Ca 0.60 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1a3t s ALA 112 Cb -0.28 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1a3t s ALA 112 CO 0.25 -0.96 0.76 0.66 0.00 0.00 0.00 175.76 176.47 1a3t n TYR 113 N -0.45 -1.97 -2.83 0.00 4.01 -1.26 -3.25 117.16 111.41 1a3t n TYR 113 Ca -0.04 0.86 -0.43 0.00 -0.16 0.00 0.00 57.90 58.14 1a3t n TYR 113 Cb 0.60 -4.53 -0.03 0.00 -0.31 0.00 0.00 39.34 35.07 1a3t n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a3t s VAL 114 N -3.61 4.36 -0.24 -0.72 1.01 -1.26 -4.43 120.40 115.50 1a3t s VAL 114 Ca 0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1a3t s VAL 114 Cb -0.00 -4.76 -0.01 0.00 0.00 0.00 0.00 36.38 31.61 1a3t s VAL 114 CO 0.80 -1.54 0.00 -0.31 0.00 0.00 0.00 175.10 174.04 1a3t s TYR 115 N 3.88 3.03 0.48 5.22 2.02 -1.26 -5.06 117.35 125.66 1a3t s TYR 115 Ca 0.28 -0.88 -0.23 0.00 -0.37 0.00 0.00 57.07 55.87 1a3t s TYR 115 Cb -0.11 -2.16 -0.07 0.00 -0.40 0.00 0.00 41.96 39.22 1a3t s TYR 115 CO 0.03 -0.53 1.25 0.15 -1.57 0.00 0.00 175.55 174.88 1a3t s LYS 116 N 1.50 3.59 -0.19 -0.62 -0.14 -1.26 -0.25 119.74 122.38 1a3t s LYS 116 Ca 0.05 1.98 0.11 0.00 -1.36 0.00 0.00 55.97 56.75 1a3t s LYS 116 Cb -0.15 -2.41 0.65 0.00 -1.68 0.00 0.00 37.83 34.24 1a3t s LYS 116 CO -0.01 -0.74 1.50 -0.35 -0.76 0.00 0.00 175.35 174.98 1a3t n PRO 117 N -0.56 4.09 -1.83 -1.68 -0.04 -1.26 -4.98 135.00 128.73 1a3t n PRO 117 Ca 0.08 -2.51 -0.41 0.00 -0.04 0.00 0.00 63.50 60.61 1a3t n PRO 117 Cb 0.46 -2.10 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 1a3t n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a3t n ASN 118 N 0.52 6.02 -0.37 3.54 3.02 0.65 -4.26 115.26 124.37 1a3t n ASN 118 Ca 0.22 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1a3t n ASN 118 Cb 1.00 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1a3t n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1a3t n ASN 119 N 4.21 0.00 -0.38 6.41 0.23 -1.26 -4.34 115.26 120.13 1a3t n ASN 119 Ca 0.57 -1.63 0.31 0.00 -0.53 0.00 0.00 54.58 53.30 1a3t n ASN 119 Cb 0.32 -0.13 0.61 0.00 -2.08 0.00 0.00 39.78 38.51 1a3t n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1a3t h THR 120 N 5.71 0.34 -0.41 5.53 2.02 -1.97 0.12 112.91 124.26 1a3t h THR 120 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1a3t h THR 120 Cb 1.25 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1a3t h THR 120 CO 0.00 0.04 0.00 1.41 0.37 0.00 0.00 175.52 177.34 1a3t n HIS 121 N -4.54 1.11 -0.02 3.16 8.25 -1.26 -4.71 115.22 117.20 1a3t n HIS 121 Ca 0.30 -0.72 -0.09 0.00 -0.26 0.00 0.00 57.72 56.96 1a3t n HIS 121 Cb 1.18 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 32.00 1a3t n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1a3t h GLU 122 N 2.66 -0.26 -0.70 -0.41 4.81 -1.13 -1.69 114.58 117.86 1a3t h GLU 122 Ca 0.00 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1a3t h GLU 122 Cb 1.36 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1a3t h GLU 122 CO 0.21 -0.17 0.22 1.96 -0.73 0.00 0.00 179.01 180.50 1a3t h GLN 123 N -0.26 1.09 -0.03 1.92 1.08 -1.84 0.13 115.11 117.19 1a3t h GLN 123 Ca 0.12 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1a3t h GLN 123 Cb 0.45 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1a3t h GLN 123 CO -0.34 0.93 -0.05 1.25 -0.95 0.00 0.00 178.83 179.67 1a3t h HIS 124 N 1.04 -0.11 -0.34 2.96 2.76 -1.81 -0.88 115.15 118.78 1a3t h HIS 124 Ca 0.23 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 1a3t h HIS 124 Cb 0.30 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1a3t h HIS 124 CO 0.02 -0.07 0.05 -0.07 -1.30 0.00 0.00 177.93 176.56 1a3t h LEU 125 N -0.07 0.46 -0.34 0.26 3.38 -1.01 -2.53 115.31 115.46 1a3t h LEU 125 Ca 0.03 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1a3t h LEU 125 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1a3t h LEU 125 CO -0.07 0.49 -0.16 0.03 0.09 0.00 0.00 178.44 178.83 1a3t h ARG 126 N 0.49 0.72 -0.84 1.13 3.08 -0.43 -1.16 114.38 117.36 1a3t h ARG 126 Ca 0.11 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1a3t h ARG 126 Cb 0.24 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1a3t h ARG 126 CO 0.00 0.91 0.39 1.57 -1.07 0.00 0.00 179.97 181.77 1a3t h LYS 127 N 0.50 1.22 -0.52 0.04 2.10 -0.93 -0.33 116.57 118.64 1a3t h LYS 127 Ca 0.08 -0.19 -0.08 0.00 -2.00 0.00 0.00 60.65 58.45 1a3t h LYS 127 Cb 0.69 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1a3t h LYS 127 CO 0.05 0.95 -0.01 0.77 -2.00 0.00 0.00 179.45 179.21 1a3t h SER 128 N 1.20 0.87 -0.47 7.07 0.02 -1.34 -2.29 113.55 118.61 1a3t h SER 128 Ca 0.29 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1a3t h SER 128 Cb 0.15 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1a3t h SER 128 CO -0.03 0.94 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.44 1a3t h GLU 129 N 0.82 0.92 -0.18 3.45 4.81 -0.54 -1.26 114.58 122.61 1a3t h GLU 129 Ca 0.15 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1a3t h GLU 129 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1a3t h GLU 129 CO 0.03 0.96 -0.15 0.00 -0.73 0.00 0.00 179.01 179.11 1a3t h ALA 130 N 1.08 1.41 -0.17 2.92 0.00 -0.91 0.15 119.26 123.73 1a3t h ALA 130 Ca 0.14 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1a3t h ALA 130 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a3t h ALA 130 CO 0.04 0.41 -0.31 0.37 0.00 0.00 0.00 179.25 179.75 1a3t h GLN 131 N 0.28 0.51 -0.86 0.00 5.75 -0.98 -0.83 115.11 118.99 1a3t h GLN 131 Ca 0.05 -0.32 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 1a3t h GLN 131 Cb 0.44 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1a3t h GLN 131 CO 0.03 0.93 0.42 0.00 -2.65 0.00 0.00 178.83 177.55 1a3t h ALA 132 N 0.58 1.12 0.35 3.38 0.00 -0.94 -0.94 119.26 122.80 1a3t h ALA 132 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1a3t h ALA 132 Cb 0.90 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a3t h ALA 132 CO 0.07 0.67 -0.17 0.87 0.00 0.00 0.00 179.25 180.69 1a3t h LYS 133 N 1.22 -0.45 0.00 0.00 1.57 -0.87 -0.28 116.57 117.76 1a3t h LYS 133 Ca 0.29 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1a3t h LYS 133 Cb 0.11 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1a3t h LYS 133 CO -0.04 -0.25 -0.15 1.57 -0.57 0.00 0.00 179.45 180.01 1a3t h LYS 134 N -0.55 0.00 -0.18 3.15 2.10 -1.02 0.28 116.57 120.35 1a3t h LYS 134 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1a3t h LYS 134 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1a3t h LYS 134 CO 0.08 0.15 0.00 0.39 -2.00 0.00 0.00 179.45 178.07 1a3t n GLU 135 N -3.79 1.72 -4.14 0.07 1.02 -0.37 -4.94 120.64 110.21 1a3t n GLU 135 Ca -0.02 -1.08 -0.30 0.00 -0.02 0.00 0.00 57.16 55.74 1a3t n GLU 135 Cb 0.25 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1a3t n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a3t n LYS 136 N 0.31 -2.61 -2.84 3.49 4.76 0.97 -4.91 118.16 117.33 1a3t n LYS 136 Ca 0.16 0.31 -0.40 0.00 -2.87 0.00 0.00 58.31 55.51 1a3t n LYS 136 Cb 0.32 -4.48 -0.05 0.00 -1.84 0.00 0.00 35.03 28.98 1a3t n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1a3t s LEU 137 N -7.15 4.52 0.00 -0.35 1.43 -0.35 -3.55 118.68 113.22 1a3t s LEU 137 Ca 0.24 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1a3t s LEU 137 Cb -0.13 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1a3t s LEU 137 CO 0.93 0.03 0.00 0.59 0.23 0.00 0.00 176.35 178.13 1a3t n ASN 138 N 2.46 0.00 -0.35 2.29 3.02 -1.26 -0.25 115.26 121.17 1a3t n ASN 138 Ca -0.01 0.00 0.27 0.00 -0.03 0.00 0.00 54.58 54.82 1a3t n ASN 138 Cb 0.49 0.00 0.57 0.00 -0.61 0.00 0.00 39.78 40.23 1a3t n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1a3t h ILE 139 N 0.00 0.42 -0.30 2.41 2.04 -1.37 0.48 117.51 121.19 1a3t h ILE 139 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1a3t h ILE 139 Cb 0.00 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1a3t h ILE 139 CO 0.00 0.05 0.00 0.79 0.00 0.00 0.00 178.15 178.99 1a3t n TRP 140 N -4.59 0.40 1.02 1.37 7.02 0.65 -5.13 117.44 118.19 1a3t n TRP 140 Ca 0.28 -0.20 0.12 0.00 -1.02 0.00 0.00 57.50 56.68 1a3t n TRP 140 Cb 1.04 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 30.05 1a3t n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54