#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snd s HIS 8 N 0.00 0.98 0.44 -1.77 2.46 -1.26 -5.11 115.29 111.03 1snd s HIS 8 Ca 0.00 -0.38 -0.23 0.00 0.47 0.00 0.00 55.06 54.92 1snd s HIS 8 Cb 0.00 -0.94 -0.08 0.00 -0.13 0.00 0.00 32.58 31.43 1snd s HIS 8 CO 0.00 -0.37 1.16 0.15 -2.47 0.00 0.00 174.74 173.21 1snd s LYS 9 N 1.71 3.84 -0.05 2.88 1.02 -1.26 -4.52 119.74 123.36 1snd s LYS 9 Ca 0.02 1.78 -0.03 0.00 0.02 0.00 0.00 55.97 57.76 1snd s LYS 9 Cb -0.13 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1snd s LYS 9 CO -0.05 -0.48 0.12 -1.21 -0.92 0.00 0.00 175.35 172.81 1snd s GLU 10 N -2.60 0.11 0.53 1.68 2.02 -0.67 -4.95 118.70 114.83 1snd s GLU 10 Ca 0.62 0.23 -0.21 0.00 0.02 0.00 0.00 54.97 55.63 1snd s GLU 10 Cb -0.29 -0.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.86 1snd s GLU 10 CO 0.35 -0.07 1.21 -1.25 0.02 0.00 0.00 175.26 175.52 1snd s PRO 11 N 0.47 3.32 0.11 0.39 0.04 -1.26 -0.51 135.00 137.55 1snd s PRO 11 Ca -0.03 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1snd s PRO 11 Cb -0.05 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1snd s PRO 11 CO -0.02 -0.94 0.32 0.00 0.04 0.00 0.00 177.00 176.40 1snd s ALA 12 N -1.55 -0.63 0.08 8.56 0.00 -0.83 -4.69 121.76 122.70 1snd s ALA 12 Ca 0.71 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.45 1snd s ALA 12 Cb -0.31 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1snd s ALA 12 CO 0.35 -0.59 -0.19 0.95 0.00 0.00 0.00 175.76 176.28 1snd s THR 13 N -3.83 1.55 -0.07 0.00 -4.23 -0.92 -4.06 115.64 104.08 1snd s THR 13 Ca 0.04 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1snd s THR 13 Cb 0.03 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1snd s THR 13 CO -0.11 -0.05 1.15 -0.22 -0.54 0.00 0.00 174.62 174.85 1snd s LEU 14 N -1.72 4.26 -0.09 4.79 0.20 -1.26 -0.01 118.68 124.85 1snd s LEU 14 Ca 0.05 1.73 -0.06 0.00 0.69 0.00 0.00 54.13 56.54 1snd s LEU 14 Cb -0.10 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.09 1snd s LEU 14 CO 0.03 -0.56 -0.12 0.40 -0.29 0.00 0.00 176.35 175.82 1snd h ILE 15 N 5.06 0.00 -1.75 6.68 2.04 -1.39 -3.46 117.51 124.68 1snd h ILE 15 Ca -0.33 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1snd h ILE 15 Cb 1.15 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.01 1snd h ILE 15 CO 0.88 0.00 0.37 -1.59 0.00 0.00 0.00 178.15 177.81 1snd s LYS 16 N -1.82 0.73 0.23 2.37 -2.85 -0.80 -5.03 119.74 112.56 1snd s LYS 16 Ca -0.10 0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.98 1snd s LYS 16 Cb 0.01 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 1snd s LYS 16 CO 0.14 -0.18 0.95 0.00 0.10 0.00 0.00 175.35 176.37 1snd s ALA 17 N -0.59 3.33 -0.15 0.59 0.00 -1.26 0.01 121.76 123.69 1snd s ALA 17 Ca -0.03 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1snd s ALA 17 Cb -0.02 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1snd s ALA 17 CO 0.02 0.16 -0.25 -0.89 0.00 0.00 0.00 175.76 174.80 1snd n ILE 18 N 1.63 1.23 -2.59 0.00 5.41 -0.81 -4.90 119.36 119.33 1snd n ILE 18 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1snd n ILE 18 Cb 0.47 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1snd n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1snd n ASP 19 N -4.01 0.00 -0.34 4.38 5.68 -1.00 -4.98 116.55 116.28 1snd n ASP 19 Ca -0.24 -0.33 0.08 0.00 -0.50 0.00 0.00 54.79 53.79 1snd n ASP 19 Cb 0.57 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.79 1snd n ASP 19 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1snd h GLY 20 N 0.00 1.59 0.00 6.12 0.00 -1.83 -3.18 103.07 105.77 1snd h GLY 20 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1snd h GLY 20 CO 0.00 0.08 0.00 2.09 0.00 0.00 0.00 176.54 178.71 1snd n ASP 21 N -4.70 1.51 -4.27 0.19 5.68 -1.26 -4.72 116.55 108.97 1snd n ASP 21 Ca 0.19 -1.52 -0.25 0.00 -0.50 0.00 0.00 54.79 52.71 1snd n ASP 21 Cb 0.40 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.25 1snd n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1snd s THR 22 N -0.52 1.70 -0.02 2.12 -4.23 -1.20 -0.79 115.64 112.70 1snd s THR 22 Ca 0.00 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 1snd s THR 22 Cb 0.00 -1.52 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1snd s THR 22 CO 0.00 0.06 0.25 0.54 -0.54 0.00 0.00 174.62 174.92 1snd s VAL 23 N -1.00 0.06 -0.22 2.29 0.11 -0.25 -1.93 120.40 119.46 1snd s VAL 23 Ca 0.07 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1snd s VAL 23 Cb -0.09 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1snd s VAL 23 CO 0.03 -0.27 0.00 -0.75 -3.33 0.00 0.00 175.10 170.79 1snd s LYS 24 N -1.17 3.56 0.11 1.54 2.20 0.10 0.64 119.74 126.71 1snd s LYS 24 Ca -0.12 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 1snd s LYS 24 Cb -0.06 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1snd s LYS 24 CO 0.03 -0.08 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.32 1snd s LEU 25 N 1.25 2.42 -0.47 5.43 1.43 0.88 -0.98 118.68 128.64 1snd s LEU 25 Ca 0.04 -0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 52.07 1snd s LEU 25 Cb -0.15 -0.36 0.03 0.00 0.03 0.00 0.00 46.19 45.74 1snd s LEU 25 CO 0.01 -0.24 0.83 -0.32 0.23 0.00 0.00 176.35 176.86 1snd s MET 26 N -2.87 3.41 -0.25 1.70 -2.45 0.99 0.25 119.30 120.08 1snd s MET 26 Ca 0.07 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 1snd s MET 26 Cb -0.03 -3.96 0.06 0.00 1.25 0.00 0.00 34.83 32.15 1snd s MET 26 CO 0.01 -1.20 -0.06 -0.47 1.05 0.00 0.00 175.02 174.34 1snd s TYR 27 N 3.47 2.69 -0.71 4.11 5.04 0.59 -2.18 117.35 130.37 1snd s TYR 27 Ca 0.31 -1.97 -0.04 0.00 -2.44 0.00 0.00 57.07 52.93 1snd s TYR 27 Cb -0.12 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1snd s TYR 27 CO 0.23 -0.81 0.50 1.63 -1.34 0.00 0.00 175.55 175.75 1snd n LYS 28 N 4.59 -3.47 -1.13 4.97 5.02 -1.26 -3.03 118.16 123.85 1snd n LYS 28 Ca -0.12 0.43 -0.04 0.00 -2.02 0.00 0.00 58.31 56.55 1snd n LYS 28 Cb 0.43 -4.24 -0.02 0.00 -0.02 0.00 0.00 35.03 31.18 1snd n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snd n GLY 29 N -1.21 0.70 2.88 0.72 0.00 -1.26 -5.00 105.19 102.02 1snd n GLY 29 Ca -0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1snd n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1snd s GLN 30 N -1.90 0.03 0.44 1.61 0.00 -1.17 -5.13 119.66 113.55 1snd s GLN 30 Ca 0.00 -0.06 -0.24 0.00 -0.00 0.00 0.00 55.36 55.06 1snd s GLN 30 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 33.01 32.95 1snd s GLN 30 CO 0.00 -0.01 1.21 -2.14 0.00 0.00 0.00 175.29 174.36 1snd s PRO 31 N -0.15 3.81 -0.22 9.60 0.02 -1.26 -0.30 135.00 146.50 1snd s PRO 31 Ca -0.02 1.91 -0.15 0.00 0.02 0.00 0.00 61.00 62.76 1snd s PRO 31 Cb -0.01 -2.53 0.06 0.00 0.02 0.00 0.00 34.50 32.05 1snd s PRO 31 CO -0.00 -0.55 0.55 1.41 -0.33 0.00 0.00 177.00 178.09 1snd s MET 32 N -2.53 0.59 -0.24 5.54 1.75 0.14 -4.83 119.30 119.72 1snd s MET 32 Ca 0.61 0.92 -0.18 0.00 -1.25 0.00 0.00 55.69 55.79 1snd s MET 32 Cb -0.32 0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.48 1snd s MET 32 CO 0.40 -0.12 0.53 0.99 -0.65 0.00 0.00 175.02 176.16 1snd s THR 33 N 1.05 5.08 0.04 10.11 2.01 -1.26 -0.08 115.64 132.58 1snd s THR 33 Ca -0.06 0.93 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1snd s THR 33 Cb -0.06 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1snd s THR 33 CO -0.10 0.11 0.06 -0.36 -0.69 0.00 0.00 174.62 173.65 1snd s PHE 34 N 2.08 3.19 -0.07 4.92 0.08 0.21 -1.70 117.98 126.68 1snd s PHE 34 Ca 0.23 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.41 1snd s PHE 34 Cb -0.16 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1snd s PHE 34 CO 0.09 0.52 -0.15 0.50 -0.10 0.00 0.00 175.22 176.08 1snd s ARG 35 N -2.06 2.74 -0.09 0.44 3.52 0.64 -1.09 118.95 123.05 1snd s ARG 35 Ca 0.26 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.85 1snd s ARG 35 Cb -0.12 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1snd s ARG 35 CO 0.18 0.50 1.34 -0.51 -0.81 0.00 0.00 175.30 176.00 1snd s LEU 36 N -0.41 4.25 0.33 -0.88 1.43 0.03 -1.71 118.68 121.73 1snd s LEU 36 Ca 0.05 1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 54.75 1snd s LEU 36 Cb -0.12 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 1snd s LEU 36 CO 0.02 -0.74 1.40 -0.76 0.23 0.00 0.00 176.35 176.50 1snd s LEU 37 N 3.08 4.38 0.00 1.79 1.43 -0.55 -3.42 118.68 125.40 1snd s LEU 37 Ca 0.60 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 56.52 1snd s LEU 37 Cb -0.26 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1snd s LEU 37 CO 0.21 -0.69 0.00 0.18 0.23 0.00 0.00 176.35 176.28 1snd n LEU 38 N 0.94 0.95 -4.19 1.79 4.77 -1.26 -4.93 117.00 115.07 1snd n LEU 38 Ca 0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 1snd n LEU 38 Cb 0.40 -2.16 -0.16 0.00 -2.33 0.00 0.00 43.42 39.17 1snd n LEU 38 CO 0.61 -0.84 -0.52 0.68 -1.33 0.00 0.00 177.39 175.99 1snd s VAL 39 N -1.08 1.65 -0.20 4.08 -7.23 -1.22 0.17 120.40 116.57 1snd s VAL 39 Ca 0.00 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1snd s VAL 39 Cb 0.00 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.58 1snd s VAL 39 CO 0.00 0.47 -0.12 -1.81 -0.31 0.00 0.00 175.10 173.32 1snd s ASP 40 N -0.09 3.40 0.31 4.85 1.01 -0.55 -4.82 116.67 120.78 1snd s ASP 40 Ca -0.02 -0.87 0.05 0.00 0.71 0.00 0.00 52.55 52.43 1snd s ASP 40 Cb -0.12 -1.30 -0.02 0.00 1.01 0.00 0.00 42.92 42.49 1snd s ASP 40 CO 0.02 -0.12 0.44 0.42 0.21 0.00 0.00 175.17 176.15 1snd s THR 41 N 1.35 4.52 0.84 -1.27 -4.23 -1.26 -1.87 115.64 113.72 1snd s THR 41 Ca -0.01 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1snd s THR 41 Cb -0.16 -3.59 0.10 0.00 1.34 0.00 0.00 72.50 70.19 1snd s THR 41 CO -0.09 -0.24 1.13 -2.84 -0.54 0.00 0.00 174.62 172.05 1snd s PRO 42 N -4.13 1.63 0.45 3.99 0.02 -1.26 -4.96 135.00 130.75 1snd s PRO 42 Ca 0.41 1.44 -0.09 0.00 0.02 0.00 0.00 61.00 62.78 1snd s PRO 42 Cb -0.09 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 1snd s PRO 42 CO 0.31 -2.16 0.81 -1.21 -0.33 0.00 0.00 177.00 174.42 1snd s GLU 43 N -4.63 3.70 0.00 5.54 0.41 -1.26 -4.64 118.70 117.81 1snd s GLU 43 Ca 0.66 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 1snd s GLU 43 Cb -0.22 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 1snd s GLU 43 CO 0.55 -0.15 0.00 0.25 -0.49 0.00 0.00 175.26 175.42 1snd n THR 44 N -1.75 0.00 -1.09 3.63 -2.24 -1.25 -0.46 114.28 111.12 1snd n THR 44 Ca 0.02 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1snd n THR 44 Cb 0.54 -0.52 0.26 0.00 -2.10 0.00 0.00 70.33 68.52 1snd n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1snd n LYS 45 N -2.41 2.92 -2.72 -0.78 5.02 -1.26 -4.02 118.16 114.90 1snd n LYS 45 Ca 0.00 -2.96 -0.43 0.00 -2.02 0.00 0.00 58.31 52.90 1snd n LYS 45 Cb 0.05 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1snd n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1snd s HIS 46 N -2.94 3.37 0.22 2.13 2.46 -1.26 -4.95 115.29 114.32 1snd s HIS 46 Ca 0.45 1.42 0.32 0.00 0.47 0.00 0.00 55.06 57.72 1snd s HIS 46 Cb 0.37 -3.20 1.72 0.00 -0.13 0.00 0.00 32.58 31.34 1snd s HIS 46 CO 0.08 -0.41 1.97 -1.35 -2.47 0.00 0.00 174.74 172.55 1snd h PRO 47 N 7.43 0.00 0.01 2.88 0.11 -1.94 -2.39 132.00 138.09 1snd h PRO 47 Ca -0.22 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.52 1snd h PRO 47 Cb 1.08 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1snd h PRO 47 CO 0.93 0.00 -2.29 1.63 -0.21 0.00 0.00 178.00 178.06 1snd n LYS 48 N -2.63 0.68 -0.17 1.05 5.02 -1.26 -4.73 118.16 116.11 1snd n LYS 48 Ca -0.02 0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.39 1snd n LYS 48 Cb 0.07 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1snd n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1snd n LYS 49 N -3.03 0.63 0.00 1.97 5.02 -1.22 -5.13 118.16 116.40 1snd n LYS 49 Ca -0.35 -1.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 1snd n LYS 49 Cb 1.08 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1snd n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snd n GLY 50 N -0.27 1.50 3.78 0.72 0.00 -0.90 -4.75 105.19 105.27 1snd n GLY 50 Ca 0.02 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1snd n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snd s VAL 51 N 0.00 5.28 0.26 1.61 0.11 -1.26 -3.87 120.40 122.54 1snd s VAL 51 Ca 0.00 0.55 0.08 0.00 -2.93 0.00 0.00 61.98 59.68 1snd s VAL 51 Cb 0.00 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1snd s VAL 51 CO 0.00 0.47 0.12 -1.61 -3.33 0.00 0.00 175.10 170.76 1snd s GLU 52 N -0.16 2.67 0.15 1.54 2.02 0.39 -4.95 118.70 120.36 1snd s GLU 52 Ca 0.18 -1.21 -0.31 0.00 0.02 0.00 0.00 54.97 53.65 1snd s GLU 52 Cb -0.14 -2.40 -0.11 0.00 0.10 0.00 0.00 34.13 31.58 1snd s GLU 52 CO 0.06 0.37 1.80 0.21 0.02 0.00 0.00 175.26 177.72 1snd s LYS 53 N -3.78 4.13 0.00 1.61 2.20 -1.26 -0.86 119.74 121.78 1snd s LYS 53 Ca 0.33 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 1snd s LYS 53 Cb -0.07 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1snd s LYS 53 CO 0.23 -0.82 0.00 0.66 -0.36 0.00 0.00 175.35 175.06 1snd n TYR 54 N 5.14 0.00 0.29 4.03 4.01 -1.26 -4.84 117.16 124.53 1snd n TYR 54 Ca 0.17 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.75 1snd n TYR 54 Cb 0.37 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 1snd n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1snd h GLY 55 N 0.00 -0.73 0.30 2.72 0.00 -1.23 0.13 103.07 104.25 1snd h GLY 55 Ca 0.00 0.27 0.12 0.00 0.00 0.00 0.00 47.33 47.72 1snd h GLY 55 CO 0.00 -0.27 0.34 -2.55 0.00 0.00 0.00 176.54 174.06 1snd h PRO 56 N -0.75 0.51 -0.49 4.80 0.11 -1.84 0.22 132.00 134.56 1snd h PRO 56 Ca -0.07 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 1snd h PRO 56 Cb 0.56 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1snd h PRO 56 CO 0.12 0.34 -0.05 0.93 -0.21 0.00 0.00 178.00 179.13 1snd h GLU 57 N 0.53 0.85 0.01 1.05 3.07 -1.92 -1.17 114.58 117.00 1snd h GLU 57 Ca 0.39 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1snd h GLU 57 Cb 0.52 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1snd h GLU 57 CO -0.34 0.88 -0.01 0.00 -1.40 0.00 0.00 179.01 178.15 1snd h ALA 58 N 1.16 -0.01 -0.53 3.43 0.00 0.92 -2.37 119.26 121.85 1snd h ALA 58 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1snd h ALA 58 Cb 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1snd h ALA 58 CO 0.03 -0.41 0.26 0.77 0.00 0.00 0.00 179.25 179.90 1snd h SER 59 N -0.21 0.37 -0.48 0.00 0.02 -0.84 -1.61 113.55 110.79 1snd h SER 59 Ca -0.00 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1snd h SER 59 Cb 0.20 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1snd h SER 59 CO 0.00 0.25 0.30 0.00 -1.14 0.00 0.00 176.83 176.24 1snd h ALA 60 N 1.30 1.61 0.41 3.77 0.00 -1.15 0.21 119.26 125.42 1snd h ALA 60 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1snd h ALA 60 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1snd h ALA 60 CO -0.18 0.35 -0.20 0.35 0.00 0.00 0.00 179.25 179.57 1snd h PHE 61 N 0.67 -0.51 -0.34 0.00 3.57 -0.78 -1.43 116.94 118.12 1snd h PHE 61 Ca 0.18 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1snd h PHE 61 Cb -0.04 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1snd h PHE 61 CO 0.00 -0.20 0.18 1.15 -2.23 0.00 0.00 178.31 177.21 1snd h THR 62 N -0.83 1.15 -0.16 4.41 2.02 -1.16 -0.14 112.91 118.20 1snd h THR 62 Ca -0.06 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1snd h THR 62 Cb 0.55 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 1snd h THR 62 CO 0.09 0.15 -0.37 0.50 0.37 0.00 0.00 175.52 176.26 1snd h LYS 63 N 0.42 -0.42 -0.01 6.66 3.64 -0.59 -1.52 116.57 124.75 1snd h LYS 63 Ca 0.12 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1snd h LYS 63 Cb 0.08 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1snd h LYS 63 CO -0.02 -0.28 -0.67 0.87 -2.27 0.00 0.00 179.45 177.08 1snd h LYS 64 N -0.43 0.06 -0.21 1.90 1.79 -1.20 -1.95 116.57 116.53 1snd h LYS 64 Ca 0.09 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1snd h LYS 64 Cb 0.59 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1snd h LYS 64 CO -0.40 0.70 0.12 1.98 -1.08 0.00 0.00 179.45 180.78 1snd h MET 65 N 0.04 0.25 0.00 3.15 4.05 -0.46 -0.14 114.93 121.81 1snd h MET 65 Ca -0.01 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1snd h MET 65 Cb 1.19 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1snd h MET 65 CO 0.09 0.16 -0.12 -0.39 0.23 0.00 0.00 176.91 176.89 1snd h VAL 66 N 0.25 0.00 0.16 -5.77 -1.51 -1.30 -3.23 116.25 104.85 1snd h VAL 66 Ca 0.08 -0.86 -0.30 0.00 -1.23 0.00 0.00 66.70 64.39 1snd h VAL 66 Cb -0.01 1.79 0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1snd h VAL 66 CO -0.04 0.00 -1.42 -0.33 -1.23 0.00 0.00 177.57 174.55 1snd h GLU 67 N 0.00 0.33 -0.00 5.19 5.08 -0.97 -3.30 114.58 120.91 1snd h GLU 67 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1snd h GLU 67 Cb 0.93 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1snd h GLU 67 CO 0.00 1.24 -0.08 0.09 -1.00 0.00 0.00 179.01 179.26 1snd n ASN 68 N -3.55 0.22 -4.71 1.42 3.02 -0.10 -4.86 115.26 106.71 1snd n ASN 68 Ca -0.14 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.74 1snd n ASN 68 Cb 1.05 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 40.00 1snd n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1snd s ALA 69 N -2.61 3.20 0.03 5.41 0.00 -1.22 -4.96 121.76 121.61 1snd s ALA 69 Ca 0.26 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 1snd s ALA 69 Cb 0.20 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.80 1snd s ALA 69 CO 0.49 -0.24 1.24 -0.22 0.00 0.00 0.00 175.76 177.03 1snd h LYS 70 N 6.68 0.45 -4.84 0.00 3.64 -1.90 -3.44 116.57 117.16 1snd h LYS 70 Ca -0.41 -0.34 -0.57 0.00 -1.27 0.00 0.00 60.65 58.06 1snd h LYS 70 Cb 1.22 0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.77 1snd h LYS 70 CO 0.75 0.96 -0.84 0.21 -2.27 0.00 0.00 179.45 178.27 1snd s LYS 71 N -3.79 2.14 -0.03 1.90 2.20 -1.26 -5.05 119.74 115.86 1snd s LYS 71 Ca -0.13 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 54.97 1snd s LYS 71 Cb 0.05 -1.70 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 1snd s LYS 71 CO 0.80 0.09 -0.22 0.42 -0.36 0.00 0.00 175.35 176.08 1snd s ILE 72 N 0.53 2.42 0.09 5.43 1.01 -1.26 -0.47 121.20 128.95 1snd s ILE 72 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1snd s ILE 72 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1snd s ILE 72 CO 0.05 0.58 -0.02 -1.61 0.00 0.00 0.00 174.94 173.94 1snd s GLU 73 N -0.62 0.76 0.01 2.79 2.02 -0.77 -1.96 118.70 120.94 1snd s GLU 73 Ca 0.09 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 53.79 1snd s GLU 73 Cb -0.10 0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 1snd s GLU 73 CO -0.00 -0.11 -0.05 0.14 0.02 0.00 0.00 175.26 175.26 1snd s VAL 74 N -3.83 0.34 -0.80 2.63 -7.23 0.33 -1.30 120.40 110.53 1snd s VAL 74 Ca 0.12 -0.48 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 1snd s VAL 74 Cb 0.07 -0.34 0.21 0.00 0.56 0.00 0.00 36.38 36.87 1snd s VAL 74 CO -0.06 -0.10 0.70 -1.61 -0.31 0.00 0.00 175.10 173.72 1snd s GLU 75 N -0.63 3.26 -0.23 4.82 2.02 0.24 -1.68 118.70 126.51 1snd s GLU 75 Ca -0.03 -2.73 0.00 0.00 0.02 0.00 0.00 54.97 52.22 1snd s GLU 75 Cb -0.05 -4.11 0.03 0.00 0.10 0.00 0.00 34.13 30.10 1snd s GLU 75 CO -0.00 -1.24 -0.12 0.12 0.02 0.00 0.00 175.26 174.04 1snd s PHE 76 N -0.37 3.00 0.68 1.61 5.36 -1.26 -2.41 117.98 124.59 1snd s PHE 76 Ca 0.21 -1.70 -0.17 0.00 -0.96 0.00 0.00 56.93 54.31 1snd s PHE 76 Cb -0.13 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1snd s PHE 76 CO -0.07 -0.78 1.02 -0.40 -1.46 0.00 0.00 175.22 173.53 1snd n ASP 77 N 4.61 0.80 0.17 6.13 5.75 -1.26 -4.87 116.55 127.87 1snd n ASP 77 Ca -0.18 0.73 0.11 0.00 -0.01 0.00 0.00 54.79 55.44 1snd n ASP 77 Cb 0.47 -1.43 0.60 0.00 -1.03 0.00 0.00 41.12 39.74 1snd n ASP 77 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1snd n LYS 78 N -1.65 0.14 0.00 0.11 4.81 -1.26 -0.20 118.16 120.11 1snd n LYS 78 Ca 0.14 0.64 0.13 0.00 -0.87 0.00 0.00 58.31 58.35 1snd n LYS 78 Cb 0.49 -1.98 0.36 0.00 0.02 0.00 0.00 35.03 33.92 1snd n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1snd n GLY 79 N -1.29 -0.95 4.01 3.14 0.00 -1.26 -4.96 105.19 103.88 1snd n GLY 79 Ca -0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1snd n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1snd n GLN 80 N -1.08 -2.39 -1.73 1.61 6.02 0.72 -4.86 117.38 115.66 1snd n GLN 80 Ca 0.09 0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 56.98 1snd n GLN 80 Cb 0.34 -4.16 -0.01 0.00 1.02 0.00 0.00 30.24 27.43 1snd n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1snd n ARG 81 N -4.46 2.49 -4.41 -1.09 1.74 -1.26 -4.88 116.66 104.79 1snd n ARG 81 Ca -0.28 0.88 -0.20 0.00 -0.77 0.00 0.00 57.85 57.47 1snd n ARG 81 Cb 0.67 -2.60 -0.10 0.00 -1.02 0.00 0.00 32.46 29.41 1snd n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1snd s THR 82 N -0.49 1.44 0.00 0.55 -4.23 -1.26 -1.43 115.64 110.21 1snd s THR 82 Ca 0.60 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1snd s THR 82 Cb -0.53 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1snd s THR 82 CO 0.55 -0.26 0.00 -0.90 -0.54 0.00 0.00 174.62 173.47 1snd n ASP 83 N -0.56 0.00 0.25 3.99 5.75 -0.31 -4.89 116.55 120.77 1snd n ASP 83 Ca -0.05 -0.84 0.17 0.00 -0.01 0.00 0.00 54.79 54.06 1snd n ASP 83 Cb 0.64 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.48 1snd n ASP 83 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1snd h LYS 84 N 0.00 0.00 -0.67 0.11 2.10 -2.02 -2.42 116.57 113.68 1snd h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1snd h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1snd h LYS 84 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1snd n TYR 85 N -2.84 1.53 -1.01 0.07 4.01 -1.26 -4.93 117.16 112.73 1snd n TYR 85 Ca -0.00 -0.61 -0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1snd n TYR 85 Cb 0.22 -0.25 -0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1snd n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1snd n GLY 86 N 1.17 0.44 3.67 2.72 0.00 -0.91 -5.01 105.19 107.27 1snd n GLY 86 Ca 0.26 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1snd n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1snd s ARG 87 N -0.48 4.30 0.12 1.61 0.52 -1.26 -4.74 118.95 119.02 1snd s ARG 87 Ca 0.00 0.97 -0.31 0.00 -0.52 0.00 0.00 55.73 55.87 1snd s ARG 87 Cb 0.00 -3.56 -0.07 0.00 0.52 0.00 0.00 34.95 31.83 1snd s ARG 87 CO 0.00 -0.28 1.31 0.20 0.02 0.00 0.00 175.30 176.54 1snd s GLY 88 N 1.13 2.22 0.02 -3.53 0.00 -0.69 -1.17 107.32 105.30 1snd s GLY 88 Ca 0.37 1.03 -0.22 0.00 0.00 0.00 0.00 44.72 45.90 1snd s GLY 88 CO 0.13 2.18 0.67 1.08 0.00 0.00 0.00 173.10 177.15 1snd s LEU 89 N 0.81 4.43 0.16 0.66 1.02 -0.52 -0.26 118.68 124.98 1snd s LEU 89 Ca 0.61 1.28 -0.24 0.00 0.02 0.00 0.00 54.13 55.79 1snd s LEU 89 Cb -0.34 -3.05 0.06 0.00 0.02 0.00 0.00 46.19 42.88 1snd s LEU 89 CO 0.32 0.07 0.86 0.00 0.02 0.00 0.00 176.35 177.61 1snd s ALA 90 N -0.13 -1.57 -0.28 4.21 0.00 -0.69 -4.59 121.76 118.71 1snd s ALA 90 Ca 0.34 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 1snd s ALA 90 Cb -0.19 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1snd s ALA 90 CO 0.20 -0.97 0.34 0.71 0.00 0.00 0.00 175.76 176.04 1snd s TYR 91 N -3.46 3.24 -0.13 0.00 2.02 -1.01 -1.48 117.35 116.53 1snd s TYR 91 Ca 0.10 0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 57.05 1snd s TYR 91 Cb -0.02 -2.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 1snd s TYR 91 CO 0.00 -0.24 0.02 0.42 -1.57 0.00 0.00 175.55 174.18 1snd s ILE 92 N 2.01 4.47 -0.13 2.71 1.01 -1.26 -0.59 121.20 129.42 1snd s ILE 92 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1snd s ILE 92 Cb -0.16 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1snd s ILE 92 CO 0.10 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 175.08 1snd s TYR 93 N -0.23 2.70 -0.55 3.97 1.51 -0.42 0.25 117.35 124.57 1snd s TYR 93 Ca 0.06 -1.01 -0.13 0.00 -1.01 0.00 0.00 57.07 54.99 1snd s TYR 93 Cb -0.12 -1.81 0.14 0.00 -0.11 0.00 0.00 41.96 40.06 1snd s TYR 93 CO 0.02 -0.43 0.47 0.00 -1.11 0.00 0.00 175.55 174.50 1snd s ALA 94 N 0.57 3.60 -1.27 3.71 0.00 0.63 -1.85 121.76 127.16 1snd s ALA 94 Ca -0.11 -2.66 -0.03 0.00 0.00 0.00 0.00 51.96 49.16 1snd s ALA 94 Cb -0.16 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1snd s ALA 94 CO 0.04 -2.01 1.01 -0.25 0.00 0.00 0.00 175.76 174.55 1snd n ASP 95 N 4.89 -3.16 0.00 0.00 8.00 0.38 -2.26 116.55 124.40 1snd n ASP 95 Ca -0.07 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1snd n ASP 95 Cb 0.41 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.58 1snd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snd n GLY 96 N -1.43 2.86 3.69 0.44 0.00 -1.26 -5.00 105.19 104.49 1snd n GLY 96 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1snd n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snd s LYS 97 N -0.07 4.28 -0.01 1.61 -0.14 -0.96 -4.99 119.74 119.46 1snd s LYS 97 Ca 0.00 0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 54.80 1snd s LYS 97 Cb 0.00 -3.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.60 1snd s LYS 97 CO 0.00 -0.01 1.29 1.41 -0.76 0.00 0.00 175.35 177.28 1snd s MET 98 N 1.18 4.33 0.08 1.68 1.75 -1.26 -0.27 119.30 126.79 1snd s MET 98 Ca 0.26 1.83 -0.19 0.00 -1.25 0.00 0.00 55.69 56.34 1snd s MET 98 Cb -0.15 -3.53 -0.09 0.00 2.84 0.00 0.00 34.83 33.90 1snd s MET 98 CO 0.11 -0.48 1.54 0.28 -0.65 0.00 0.00 175.02 175.81 1snd h VAL 99 N 4.89 1.24 -0.86 10.11 2.07 -0.57 -2.33 116.25 130.79 1snd h VAL 99 Ca -0.37 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1snd h VAL 99 Cb 1.18 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1snd h VAL 99 CO 0.88 0.26 0.54 0.78 0.02 0.00 0.00 177.57 180.05 1snd h ASN 100 N 0.18 0.84 -0.25 0.57 4.21 -1.92 -2.08 115.58 117.13 1snd h ASN 100 Ca 0.07 0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.47 1snd h ASN 100 Cb 0.36 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1snd h ASN 100 CO 0.01 0.53 -0.35 -0.08 -1.29 0.00 0.00 177.43 176.25 1snd h GLU 101 N 0.97 0.67 -0.70 0.81 4.22 -1.92 -2.68 114.58 115.95 1snd h GLU 101 Ca 0.38 -0.39 0.03 0.00 0.08 0.00 0.00 59.36 59.46 1snd h GLU 101 Cb 0.19 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1snd h GLU 101 CO -0.18 1.01 0.46 0.00 -2.18 0.00 0.00 179.01 178.12 1snd h ALA 102 N 0.66 1.60 0.03 2.92 0.00 -1.00 0.15 119.26 123.62 1snd h ALA 102 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1snd h ALA 102 Cb 0.93 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1snd h ALA 102 CO 0.08 0.33 -0.02 -0.07 0.00 0.00 0.00 179.25 179.57 1snd h LEU 103 N 0.85 -0.04 -0.42 0.00 3.38 -1.41 -2.94 115.31 114.73 1snd h LEU 103 Ca 0.28 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1snd h LEU 103 Cb 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1snd h LEU 103 CO -0.08 0.37 0.22 0.58 0.09 0.00 0.00 178.44 179.62 1snd h VAL 104 N -0.46 0.98 0.00 1.22 2.07 -1.11 -1.52 116.25 117.44 1snd h VAL 104 Ca -0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1snd h VAL 104 Cb 0.42 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1snd h VAL 104 CO 0.01 0.08 -0.06 -0.09 0.02 0.00 0.00 177.57 177.52 1snd h ARG 105 N 0.44 0.00 -0.46 1.57 9.65 -0.75 -1.97 114.38 122.85 1snd h ARG 105 Ca 0.18 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1snd h ARG 105 Cb 0.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1snd h ARG 105 CO -0.12 0.06 0.00 1.04 2.80 0.00 0.00 179.97 183.75 1snd n GLN 106 N -3.44 2.39 -2.06 0.20 1.13 -0.85 -4.93 117.38 109.81 1snd n GLN 106 Ca -0.02 -2.12 -0.09 0.00 -1.94 0.00 0.00 57.00 52.83 1snd n GLN 106 Cb 0.20 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 1snd n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1snd n GLY 107 N 1.46 0.13 0.47 1.08 0.00 -0.74 -4.92 105.19 102.67 1snd n GLY 107 Ca 0.20 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1snd n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snd n LEU 108 N -1.27 1.89 -3.72 0.99 4.77 -0.63 -4.98 117.00 114.05 1snd n LEU 108 Ca -0.11 -0.88 -0.12 0.00 -0.03 0.00 0.00 56.01 54.87 1snd n LEU 108 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1snd n LEU 108 CO 0.13 0.35 0.07 0.00 -1.33 0.00 0.00 177.39 176.61 1snd s ALA 109 N -1.51 -0.80 -0.06 -1.18 0.00 -1.20 -4.30 121.76 112.71 1snd s ALA 109 Ca 0.15 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1snd s ALA 109 Cb 0.12 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1snd s ALA 109 CO 0.28 -0.42 -0.17 0.15 0.00 0.00 0.00 175.76 175.60 1snd s LYS 110 N -2.45 2.63 0.18 0.00 1.02 -0.78 -4.42 119.74 115.92 1snd s LYS 110 Ca -0.06 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.87 1snd s LYS 110 Cb -0.01 -2.35 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 1snd s LYS 110 CO -0.03 0.50 1.49 0.08 -0.92 0.00 0.00 175.35 176.47 1snd s VAL 111 N -0.42 2.78 0.44 3.17 1.01 -1.26 -1.49 120.40 124.64 1snd s VAL 111 Ca 0.04 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 1snd s VAL 111 Cb -0.12 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1snd s VAL 111 CO 0.02 0.06 1.14 0.00 0.00 0.00 0.00 175.10 176.32 1snd s ALA 112 N 0.80 3.02 -0.17 5.51 0.00 0.13 -4.90 121.76 126.14 1snd s ALA 112 Ca 0.66 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 1snd s ALA 112 Cb -0.42 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 1snd s ALA 112 CO 0.34 -0.54 1.21 -0.47 0.00 0.00 0.00 175.76 176.30 1snd s TYR 113 N -1.56 2.99 0.28 0.00 5.04 -1.26 -4.99 117.35 117.86 1snd s TYR 113 Ca 0.62 1.13 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1snd s TYR 113 Cb -0.27 -3.44 -0.04 0.00 0.35 0.00 0.00 41.96 38.55 1snd s TYR 113 CO 0.34 -1.39 0.13 0.95 -1.34 0.00 0.00 175.55 174.24 1snd s THR 120 N 3.30 0.44 -0.73 4.34 -4.23 -1.26 -5.06 115.64 112.43 1snd s THR 120 Ca 0.52 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.17 1snd s THR 120 Cb -0.20 -2.57 0.66 0.00 1.34 0.00 0.00 72.50 71.72 1snd s THR 120 CO 0.13 0.00 1.52 1.41 -0.54 0.00 0.00 174.62 177.15 1snd n HIS 121 N -0.52 1.54 -0.12 3.99 8.25 -1.26 -4.56 115.22 122.54 1snd n HIS 121 Ca 0.00 -0.56 -0.09 0.00 -0.26 0.00 0.00 57.72 56.81 1snd n HIS 121 Cb 0.66 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1snd n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1snd h GLU 122 N 3.40 0.53 -0.92 -0.41 4.81 -1.98 0.96 114.58 120.97 1snd h GLU 122 Ca 0.00 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1snd h GLU 122 Cb 1.54 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.75 1snd h GLU 122 CO 0.32 0.43 0.57 0.37 -0.73 0.00 0.00 179.01 179.98 1snd h GLN 123 N 0.48 1.00 -0.29 1.92 4.15 -2.00 -0.01 115.11 120.35 1snd h GLN 123 Ca 0.13 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 1snd h GLN 123 Cb 0.06 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1snd h GLN 123 CO -0.02 0.66 -0.21 1.25 -1.93 0.00 0.00 178.83 178.58 1snd h HIS 124 N 1.03 0.78 -0.71 3.99 2.76 -1.79 -2.67 115.15 118.53 1snd h HIS 124 Ca 0.41 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 1snd h HIS 124 Cb 0.21 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1snd h HIS 124 CO -0.02 0.92 0.30 -0.07 -1.30 0.00 0.00 177.93 177.76 1snd h LEU 125 N 0.41 0.96 -1.12 0.26 3.38 -0.06 -2.83 115.31 116.31 1snd h LEU 125 Ca 0.06 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1snd h LEU 125 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1snd h LEU 125 CO 0.06 0.86 -0.36 0.03 0.09 0.00 0.00 178.44 179.12 1snd h ARG 126 N 1.00 0.00 -0.24 1.13 3.08 -0.97 -2.06 114.38 116.33 1snd h ARG 126 Ca 0.24 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.33 1snd h ARG 126 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1snd h ARG 126 CO -0.02 0.36 0.01 -0.22 -1.07 0.00 0.00 179.97 179.03 1snd h LYS 127 N 0.00 0.09 -0.68 0.04 3.64 -1.23 -1.58 116.57 116.86 1snd h LYS 127 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1snd h LYS 127 Cb 0.79 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1snd h LYS 127 CO 0.05 0.06 0.15 0.77 -2.27 0.00 0.00 179.45 178.21 1snd h SER 128 N 0.09 1.02 -0.81 4.20 0.02 -1.33 -2.96 113.55 113.78 1snd h SER 128 Ca 0.11 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1snd h SER 128 Cb 0.13 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1snd h SER 128 CO -0.18 0.99 0.42 -0.08 -1.14 0.00 0.00 176.83 176.84 1snd h GLU 129 N 1.02 1.15 -0.77 3.45 4.81 -0.97 -1.29 114.58 121.99 1snd h GLU 129 Ca 0.21 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1snd h GLU 129 Cb 0.37 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1snd h GLU 129 CO 0.00 0.86 0.44 0.00 -0.73 0.00 0.00 179.01 179.58 1snd h ALA 130 N 1.22 0.98 -0.49 2.92 0.00 -1.18 -0.22 119.26 122.50 1snd h ALA 130 Ca 0.28 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1snd h ALA 130 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1snd h ALA 130 CO -0.04 0.48 -0.06 0.37 0.00 0.00 0.00 179.25 180.00 1snd h GLN 131 N 1.06 0.86 0.00 0.00 5.75 -1.26 0.15 115.11 121.67 1snd h GLN 131 Ca 0.27 -0.27 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1snd h GLN 131 Cb 0.01 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1snd h GLN 131 CO -0.05 0.90 -0.48 0.00 -2.65 0.00 0.00 178.83 176.55 1snd h ALA 132 N 1.14 0.98 -0.03 3.38 0.00 -0.90 -2.11 119.26 121.72 1snd h ALA 132 Ca 0.14 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1snd h ALA 132 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1snd h ALA 132 CO 0.03 0.60 -0.51 -0.22 0.00 0.00 0.00 179.25 179.15 1snd h LYS 133 N 0.00 0.40 0.29 0.00 3.64 -0.66 0.10 116.57 120.34 1snd h LYS 133 Ca -0.00 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1snd h LYS 133 Cb 0.99 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1snd h LYS 133 CO 0.06 1.05 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.57 1snd h LYS 134 N -0.11 -0.82 0.00 1.90 3.64 -0.88 0.16 116.57 120.46 1snd h LYS 134 Ca -0.06 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1snd h LYS 134 Cb 1.21 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1snd h LYS 134 CO 0.10 -0.54 0.00 0.39 -2.27 0.00 0.00 179.45 177.13 1snd n GLU 135 N -5.52 0.29 -3.97 1.90 1.02 -0.80 -4.85 120.64 108.72 1snd n GLU 135 Ca -0.10 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 1snd n GLU 135 Cb 0.43 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 1snd n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1snd n LYS 136 N -1.04 -1.91 -2.86 3.49 5.02 0.56 -4.92 118.16 116.51 1snd n LYS 136 Ca 0.07 0.31 -0.40 0.00 -2.02 0.00 0.00 58.31 56.27 1snd n LYS 136 Cb 0.04 -3.94 -0.05 0.00 -0.02 0.00 0.00 35.03 31.06 1snd n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1snd s LEU 137 N -7.00 4.52 0.00 -0.35 1.02 0.30 -3.25 118.68 113.92 1snd s LEU 137 Ca 0.20 1.68 0.00 0.00 0.02 0.00 0.00 54.13 56.03 1snd s LEU 137 Cb -0.09 -3.43 0.00 0.00 0.02 0.00 0.00 46.19 42.70 1snd s LEU 137 CO 0.91 0.04 0.00 0.59 0.02 0.00 0.00 176.35 177.92 1snd n ASN 138 N 2.38 0.00 -0.33 2.29 3.02 -1.26 0.00 115.26 121.37 1snd n ASN 138 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 1snd n ASN 138 Cb 0.49 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.74 1snd n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1snd h ILE 139 N 0.00 1.24 -0.12 2.41 2.04 -1.95 -2.25 117.51 118.88 1snd h ILE 139 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1snd h ILE 139 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1snd h ILE 139 CO 0.00 0.26 0.00 0.79 0.00 0.00 0.00 178.15 179.20 1snd n TRP 140 N -4.40 0.15 0.48 1.37 7.02 0.10 -5.18 117.44 116.99 1snd n TRP 140 Ca 0.09 -0.08 0.04 0.00 -1.02 0.00 0.00 57.50 56.54 1snd n TRP 140 Cb 0.06 0.00 0.23 0.00 -2.42 0.00 0.00 31.31 29.18 1snd n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54