#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htp s ASN 2 N 0.00 7.27 -0.06 6.43 2.47 -1.26 -4.98 114.94 124.81 1htp s ASN 2 Ca 0.00 2.18 -0.01 0.00 0.42 0.00 0.00 52.86 55.45 1htp s ASN 2 Cb 0.00 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1htp s ASN 2 CO 0.00 -0.14 0.01 -0.69 -3.72 0.00 0.00 177.10 172.56 1htp s VAL 3 N -1.23 0.30 0.35 -5.21 1.01 -1.26 -4.34 120.40 110.02 1htp s VAL 3 Ca 0.46 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 1htp s VAL 3 Cb -0.30 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 1htp s VAL 3 CO 0.38 0.24 0.90 -0.76 0.00 0.00 0.00 175.10 175.86 1htp s LEU 4 N 1.94 4.16 0.35 3.92 2.01 -1.26 -5.00 118.68 124.80 1htp s LEU 4 Ca 0.04 1.69 0.15 0.00 0.01 0.00 0.00 54.13 56.02 1htp s LEU 4 Cb -0.12 -4.18 0.62 0.00 0.01 0.00 0.00 46.19 42.52 1htp s LEU 4 CO -0.05 -0.18 1.73 0.44 1.01 0.00 0.00 176.35 179.30 1htp h ASP 5 N 2.63 0.00 -0.45 2.29 3.32 -2.00 -3.32 116.42 118.89 1htp h ASP 5 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 1htp h ASP 5 Cb 1.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 1htp h ASP 5 CO 0.63 0.44 0.07 0.61 -1.72 0.00 0.00 179.24 179.28 1htp n GLY 6 N 0.03 4.01 3.85 2.75 0.00 -1.26 -4.70 105.19 109.88 1htp n GLY 6 Ca -0.01 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 1htp n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htp s LEU 7 N -2.96 3.46 0.21 0.99 1.43 -1.25 -4.75 118.68 115.81 1htp s LEU 7 Ca 0.48 -0.65 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1htp s LEU 7 Cb 0.39 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1htp s LEU 7 CO 0.09 -0.50 -0.22 -0.54 0.23 0.00 0.00 176.35 175.41 1htp s LYS 8 N -4.05 1.59 0.03 1.70 -0.14 -0.80 -4.33 119.74 113.73 1htp s LYS 8 Ca 0.44 -1.55 0.02 0.00 -1.36 0.00 0.00 55.97 53.52 1htp s LYS 8 Cb -0.04 -1.86 -0.02 0.00 -1.68 0.00 0.00 37.83 34.24 1htp s LYS 8 CO 0.27 0.39 -0.06 0.71 -0.76 0.00 0.00 175.35 175.90 1htp s TYR 9 N -1.82 0.54 0.23 3.18 2.02 0.03 -0.54 117.35 121.00 1htp s TYR 9 Ca 0.23 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.61 1htp s TYR 9 Cb -0.07 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1htp s TYR 9 CO 0.11 -0.08 0.10 0.00 -1.57 0.00 0.00 175.55 174.12 1htp s ALA 10 N -1.05 3.40 0.54 3.71 0.00 0.02 -0.58 121.76 127.80 1htp s ALA 10 Ca -0.08 -1.45 0.26 0.00 0.00 0.00 0.00 51.96 50.69 1htp s ALA 10 Cb -0.08 -1.11 1.41 0.00 0.00 0.00 0.00 23.12 23.34 1htp s ALA 10 CO 0.00 0.32 1.99 -1.35 0.00 0.00 0.00 175.76 176.73 1htp h PRO 11 N 1.91 0.00 -0.21 0.00 0.11 -1.98 -1.97 132.00 129.86 1htp h PRO 11 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1htp h PRO 11 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1htp h PRO 11 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 1htp n SER 12 N -4.32 0.72 -1.22 -2.05 3.41 -1.26 -4.88 113.62 104.02 1htp n SER 12 Ca 0.10 -2.02 -0.04 0.00 -0.26 0.00 0.00 58.87 56.65 1htp n SER 12 Cb 0.62 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1htp n SER 12 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1htp n HIS 13 N -0.14 -0.48 -4.84 7.33 8.25 -0.74 -4.95 115.22 119.64 1htp n HIS 13 Ca 0.04 0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 57.41 1htp n HIS 13 Cb 0.13 -2.07 -0.15 0.00 1.12 0.00 0.00 29.99 29.02 1htp n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1htp s GLU 14 N -4.86 1.60 0.23 -0.41 8.01 -1.25 -1.30 118.70 120.71 1htp s GLU 14 Ca 0.07 -0.92 0.08 0.00 0.01 0.00 0.00 54.97 54.21 1htp s GLU 14 Cb -0.03 -1.67 -0.04 0.00 -4.31 0.00 0.00 34.13 28.08 1htp s GLU 14 CO 0.13 0.44 0.02 1.67 0.01 0.00 0.00 175.26 177.53 1htp s TRP 15 N -0.71 2.79 -0.03 1.61 1.48 0.10 -0.80 118.94 123.39 1htp s TRP 15 Ca 0.09 -0.18 0.04 0.00 -1.06 0.00 0.00 56.10 54.99 1htp s TRP 15 Cb -0.09 -1.29 -0.00 0.00 -1.16 0.00 0.00 33.47 30.93 1htp s TRP 15 CO 0.01 0.57 -0.15 0.08 -4.06 0.00 0.00 176.95 173.40 1htp s VAL 16 N -2.06 1.26 -0.20 -0.66 1.01 0.30 -2.84 120.40 117.20 1htp s VAL 16 Ca 0.30 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1htp s VAL 16 Cb -0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1htp s VAL 16 CO 0.20 0.37 0.00 -0.75 0.00 0.00 0.00 175.10 174.91 1htp s LYS 17 N -0.00 3.60 -0.23 2.72 2.20 -0.29 -1.90 119.74 125.84 1htp s LYS 17 Ca -0.02 -0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1htp s LYS 17 Cb -0.10 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1htp s LYS 17 CO 0.01 -0.01 0.06 -1.58 -0.36 0.00 0.00 175.35 173.48 1htp s HIS 18 N 1.06 3.11 -0.48 4.03 5.65 -1.26 -0.83 115.29 126.56 1htp s HIS 18 Ca 0.02 -0.31 0.07 0.00 0.25 0.00 0.00 55.06 55.08 1htp s HIS 18 Cb -0.14 -2.19 0.23 0.00 -1.18 0.00 0.00 32.58 29.30 1htp s HIS 18 CO 0.02 -0.24 0.55 0.39 -0.65 0.00 0.00 174.74 174.80 1htp n GLU 19 N 4.58 1.18 0.00 2.88 1.02 0.69 -5.00 120.64 125.98 1htp n GLU 19 Ca -0.16 -3.69 0.00 0.00 -0.02 0.00 0.00 57.16 53.29 1htp n GLU 19 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1htp n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1htp n GLY 20 N 1.54 1.88 0.08 0.62 0.00 -1.26 -2.70 105.19 105.35 1htp n GLY 20 Ca 0.25 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1htp n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1htp n SER 21 N 8.55 0.41 -4.25 1.61 3.41 -1.26 -4.81 113.62 117.29 1htp n SER 21 Ca 0.00 0.60 -0.26 0.00 -0.26 0.00 0.00 58.87 58.95 1htp n SER 21 Cb 0.00 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.12 1htp n SER 21 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1htp s VAL 22 N -3.19 1.67 -0.09 -3.33 1.01 -1.10 -4.23 120.40 111.14 1htp s VAL 22 Ca 0.05 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1htp s VAL 22 Cb 0.09 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1htp s VAL 22 CO 0.35 0.24 -0.15 0.00 0.00 0.00 0.00 175.10 175.54 1htp s ALA 23 N -0.76 1.56 -0.04 5.51 0.00 -0.50 -0.23 121.76 127.30 1htp s ALA 23 Ca 0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1htp s ALA 23 Cb -0.09 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1htp s ALA 23 CO 0.01 0.06 0.17 0.99 0.00 0.00 0.00 175.76 176.99 1htp s THR 24 N 0.77 5.45 0.01 0.00 2.01 -0.01 -0.47 115.64 123.39 1htp s THR 24 Ca -0.12 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1htp s THR 24 Cb -0.16 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1htp s THR 24 CO 0.02 0.41 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 1htp s ILE 25 N -1.24 0.89 0.39 1.82 1.01 0.07 -1.14 121.20 123.01 1htp s ILE 25 Ca 0.24 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1htp s ILE 25 Cb -0.12 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.62 1htp s ILE 25 CO 0.14 0.14 0.74 -0.83 0.00 0.00 0.00 174.94 175.13 1htp s GLY 26 N -0.57 0.65 0.16 6.18 0.00 -1.13 0.10 107.32 112.71 1htp s GLY 26 Ca 0.03 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1htp s GLY 26 CO 0.00 -0.47 0.27 -0.26 0.00 0.00 0.00 173.10 172.64 1htp s ILE 27 N -2.29 5.22 0.88 0.90 -4.36 -1.26 -0.72 121.20 119.58 1htp s ILE 27 Ca 0.19 -0.76 -0.13 0.00 -0.26 0.00 0.00 60.65 59.68 1htp s ILE 27 Cb -0.04 -3.70 0.15 0.00 1.25 0.00 0.00 42.46 40.11 1htp s ILE 27 CO 0.14 -0.12 1.24 0.42 0.24 0.00 0.00 174.94 176.86 1htp s THR 28 N -1.77 2.02 0.39 8.37 -4.23 -0.42 -4.65 115.64 115.35 1htp s THR 28 Ca 0.34 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.86 1htp s THR 28 Cb -0.11 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.02 1htp s THR 28 CO 0.28 0.00 2.03 -0.78 -0.54 0.00 0.00 174.62 175.61 1htp h ASP 29 N -1.33 0.58 0.09 3.99 3.58 -1.92 -1.72 116.42 119.68 1htp h ASP 29 Ca -0.45 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 1htp h ASP 29 Cb 1.27 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1htp h ASP 29 CO 0.49 0.41 -0.04 -0.74 -2.88 0.00 0.00 179.24 176.48 1htp h HIS 30 N 0.68 -0.11 -0.10 0.28 2.76 -1.92 -1.72 115.15 115.02 1htp h HIS 30 Ca 0.20 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1htp h HIS 30 Cb -0.03 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1htp h HIS 30 CO -0.00 0.02 0.07 0.00 -1.30 0.00 0.00 177.93 176.71 1htp h ALA 31 N 0.70 0.13 -0.61 5.26 0.00 -1.65 -2.09 119.26 121.00 1htp h ALA 31 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1htp h ALA 31 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1htp h ALA 31 CO 0.02 -0.38 0.10 -0.56 0.00 0.00 0.00 179.25 178.43 1htp h GLN 32 N 0.14 1.01 -0.51 0.00 -0.00 -1.23 -2.08 115.11 112.43 1htp h GLN 32 Ca 0.04 -0.27 0.09 0.00 -0.00 0.00 0.00 58.65 58.51 1htp h GLN 32 Cb -0.02 -0.12 -0.07 0.00 -0.00 0.00 0.00 27.48 27.27 1htp h GLN 32 CO -0.01 0.94 0.09 0.22 -0.00 0.00 0.00 178.83 180.07 1htp h ASP 33 N 0.91 -0.03 1.03 0.06 3.58 -1.10 0.55 116.42 121.42 1htp h ASP 33 Ca 0.19 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1htp h ASP 33 Cb 0.42 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1htp h ASP 33 CO 0.01 0.01 0.00 1.41 -2.88 0.00 0.00 179.24 177.79 1htp n HIS 34 N -5.13 0.68 0.01 0.28 8.25 -0.80 -3.56 115.22 114.94 1htp n HIS 34 Ca 0.06 0.23 -0.17 0.00 -0.26 0.00 0.00 57.72 57.58 1htp n HIS 34 Cb 0.26 -0.87 -0.14 0.00 1.12 0.00 0.00 29.99 30.36 1htp n HIS 34 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1htp h LEU 35 N 0.00 0.31 0.00 2.41 3.38 -0.26 -3.50 115.31 117.66 1htp h LEU 35 Ca 0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1htp h LEU 35 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1htp h LEU 35 CO 0.00 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1htp n GLY 36 N 1.82 -0.82 3.69 0.83 0.00 -0.25 -4.32 105.19 106.13 1htp n GLY 36 Ca -0.25 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1htp n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1htp s GLU 37 N 0.00 4.32 -0.21 1.61 2.12 -1.26 -4.80 118.70 120.49 1htp s GLU 37 Ca 0.00 1.77 -0.19 0.00 0.36 0.00 0.00 54.97 56.91 1htp s GLU 37 Cb 0.00 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1htp s GLU 37 CO 0.00 -0.50 0.54 0.08 -0.54 0.00 0.00 175.26 174.84 1htp s VAL 38 N 2.36 5.08 -0.03 3.70 1.01 -1.26 -0.44 120.40 130.81 1htp s VAL 38 Ca 0.58 0.99 0.16 0.00 0.00 0.00 0.00 61.98 63.71 1htp s VAL 38 Cb -0.27 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 1htp s VAL 38 CO 0.23 0.15 0.32 1.33 0.00 0.00 0.00 175.10 177.13 1htp n VAL 39 N 4.66 0.08 -3.71 2.92 0.24 0.43 -3.83 118.33 119.12 1htp n VAL 39 Ca -0.04 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.74 1htp n VAL 39 Cb 0.50 0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 1htp n VAL 39 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1htp s PHE 40 N -3.04 -0.34 -0.07 6.34 5.36 -0.70 -4.81 117.98 120.72 1htp s PHE 40 Ca -0.06 0.65 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1htp s PHE 40 Cb 0.10 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1htp s PHE 40 CO 0.65 -0.39 -0.14 0.08 -1.46 0.00 0.00 175.22 173.96 1htp s VAL 41 N -0.92 1.31 -0.30 3.12 1.01 -1.26 -0.31 120.40 123.05 1htp s VAL 41 Ca -0.10 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1htp s VAL 41 Cb -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1htp s VAL 41 CO 0.04 0.39 0.21 -1.61 0.00 0.00 0.00 175.10 174.14 1htp s GLU 42 N 0.65 3.81 0.16 2.72 2.02 0.30 -4.96 118.70 123.40 1htp s GLU 42 Ca -0.15 -0.41 0.09 0.00 0.02 0.00 0.00 54.97 54.52 1htp s GLU 42 Cb -0.16 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 1htp s GLU 42 CO 0.04 -0.27 -0.15 -0.51 0.02 0.00 0.00 175.26 174.40 1htp s LEU 43 N 1.76 2.79 1.09 1.80 1.43 -1.26 -1.46 118.68 124.82 1htp s LEU 43 Ca 0.07 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 1htp s LEU 43 Cb -0.16 -1.54 0.24 0.00 0.03 0.00 0.00 46.19 44.75 1htp s LEU 43 CO 0.11 0.13 1.19 -2.16 0.23 0.00 0.00 176.35 175.85 1htp s PRO 44 N -2.56 -0.32 0.22 1.29 0.04 -1.24 -4.97 135.00 127.46 1htp s PRO 44 Ca 0.22 -0.15 -0.14 0.00 0.04 0.00 0.00 61.00 60.98 1htp s PRO 44 Cb -0.09 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 1htp s PRO 44 CO 0.13 -3.10 0.61 -1.21 0.04 0.00 0.00 177.00 173.47 1htp s GLU 45 N -5.56 3.96 0.65 4.56 0.41 -1.26 -4.96 118.70 116.50 1htp s GLU 45 Ca 0.71 0.51 -0.18 0.00 -0.41 0.00 0.00 54.97 55.60 1htp s GLU 45 Cb -0.08 -2.73 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1htp s GLU 45 CO 0.55 0.35 1.25 -2.30 -0.49 0.00 0.00 175.26 174.62 1htp n PRO 46 N 0.26 1.07 0.00 0.39 -0.02 -1.26 -2.90 135.00 132.54 1htp n PRO 46 Ca -0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1htp n PRO 46 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1htp n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1htp n GLY 47 N 0.97 2.98 3.77 -1.23 0.00 0.94 -5.02 105.19 107.60 1htp n GLY 47 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1htp n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1htp s VAL 48 N -1.61 3.10 0.08 1.61 1.01 -1.14 -4.70 120.40 118.74 1htp s VAL 48 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 1htp s VAL 48 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1htp s VAL 48 CO 0.00 -0.20 0.47 -0.44 0.00 0.00 0.00 175.10 174.93 1htp s SER 49 N -1.98 6.80 0.09 3.32 0.01 -1.26 -0.68 113.70 120.00 1htp s SER 49 Ca 0.72 0.99 0.09 0.00 1.31 0.00 0.00 55.95 59.06 1htp s SER 49 Cb -0.24 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1htp s SER 49 CO 0.32 0.21 -0.21 0.68 0.41 0.00 0.00 173.24 174.65 1htp s VAL 50 N -1.29 2.59 -0.00 3.43 -7.23 0.15 -4.92 120.40 113.13 1htp s VAL 50 Ca 0.31 -1.46 0.08 0.00 -1.81 0.00 0.00 61.98 59.10 1htp s VAL 50 Cb -0.16 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1htp s VAL 50 CO 0.17 0.20 -0.24 -0.89 -0.31 0.00 0.00 175.10 174.03 1htp s THR 51 N -1.01 1.94 -0.24 5.32 2.01 -1.26 -1.11 115.64 121.29 1htp s THR 51 Ca 0.15 -1.12 -0.40 0.00 0.31 0.00 0.00 61.69 60.64 1htp s THR 51 Cb -0.10 -1.62 -0.16 0.00 0.01 0.00 0.00 72.50 70.63 1htp s THR 51 CO 0.07 0.48 1.71 1.17 -0.69 0.00 0.00 174.62 177.36 1htp n LYS 52 N 2.30 1.18 -0.90 4.92 4.81 -1.25 -1.56 118.16 127.66 1htp n LYS 52 Ca -0.16 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1htp n LYS 52 Cb 0.52 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1htp n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1htp n GLY 53 N 4.06 0.49 3.26 3.14 0.00 0.31 -4.97 105.19 111.48 1htp n GLY 53 Ca 0.26 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1htp n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1htp s LYS 54 N -1.02 1.71 0.35 1.61 1.02 -0.60 -4.87 119.74 117.94 1htp s LYS 54 Ca 0.00 -0.85 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 1htp s LYS 54 Cb 0.00 -1.71 -0.11 0.00 -0.52 0.00 0.00 37.83 35.49 1htp s LYS 54 CO 0.00 0.46 1.54 0.20 -0.92 0.00 0.00 175.35 176.63 1htp s GLY 55 N -0.72 2.61 0.00 -3.33 0.00 -1.26 -1.28 107.32 103.33 1htp s GLY 55 Ca 0.09 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1htp s GLY 55 CO -0.00 2.40 0.00 1.97 0.00 0.00 0.00 173.10 177.47 1htp n PHE 56 N 1.11 0.00 -3.31 1.90 1.16 -0.11 -4.83 117.46 113.37 1htp n PHE 56 Ca 0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.59 1htp n PHE 56 Cb 0.38 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.26 1htp n PHE 56 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1htp n GLY 57 N 1.87 1.57 3.08 4.97 0.00 -1.19 -3.72 105.19 111.77 1htp n GLY 57 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1htp n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htp s ALA 58 N -1.35 0.25 -0.08 4.61 0.00 -0.54 -1.32 121.76 123.33 1htp s ALA 58 Ca 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1htp s ALA 58 Cb -0.02 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1htp s ALA 58 CO 0.04 -0.33 -0.12 0.54 0.00 0.00 0.00 175.76 175.89 1htp s VAL 59 N -3.14 1.22 -0.26 0.00 0.11 0.61 -0.54 120.40 118.41 1htp s VAL 59 Ca -0.00 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1htp s VAL 59 Cb 0.02 -1.13 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1htp s VAL 59 CO -0.07 0.38 0.06 -1.61 -3.33 0.00 0.00 175.10 170.53 1htp s GLU 60 N 0.92 3.51 0.57 1.54 8.01 0.58 -0.72 118.70 133.11 1htp s GLU 60 Ca -0.09 -0.57 0.07 0.00 0.01 0.00 0.00 54.97 54.39 1htp s GLU 60 Cb -0.15 -3.31 0.07 0.00 -4.31 0.00 0.00 34.13 26.43 1htp s GLU 60 CO 0.00 -0.25 0.60 -1.54 0.01 0.00 0.00 175.26 174.09 1htp s SER 61 N 1.58 4.82 0.57 -0.19 1.04 0.96 -0.43 113.70 122.06 1htp s SER 61 Ca 0.06 -1.09 0.26 0.00 0.48 0.00 0.00 55.95 55.66 1htp s SER 61 Cb -0.15 0.44 1.63 0.00 0.10 0.00 0.00 66.02 68.04 1htp s SER 61 CO 0.03 -1.26 2.16 -0.37 0.98 0.00 0.00 173.24 174.77 1htp h VAL 62 N 0.44 0.61 0.00 5.02 -1.51 -0.98 -3.24 116.25 116.59 1htp h VAL 62 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1htp h VAL 62 Cb 1.30 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1htp h VAL 62 CO 0.49 0.00 -0.82 2.29 -1.23 0.00 0.00 177.57 178.30 1htp n LYS 63 N -4.00 2.22 -4.03 5.19 2.85 -1.26 -5.09 118.16 114.05 1htp n LYS 63 Ca -0.00 -0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 1htp n LYS 63 Cb 0.22 -0.95 -0.07 0.00 -0.65 0.00 0.00 35.03 33.57 1htp n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1htp s ALA 64 N -1.96 0.23 -0.19 0.58 0.00 -1.22 -5.12 121.76 114.08 1htp s ALA 64 Ca -0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1htp s ALA 64 Cb 0.03 1.02 0.05 0.00 0.00 0.00 0.00 23.12 24.22 1htp s ALA 64 CO 0.18 -0.68 -0.03 0.99 0.00 0.00 0.00 175.76 176.22 1htp s THR 65 N -4.02 1.05 0.20 0.00 2.01 -1.26 -0.02 115.64 113.60 1htp s THR 65 Ca 0.23 -0.77 0.11 0.00 0.31 0.00 0.00 61.69 61.57 1htp s THR 65 Cb 0.03 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1htp s THR 65 CO 0.05 -0.03 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.34 1htp s SER 66 N 1.63 3.79 0.38 3.53 0.01 0.10 -4.93 113.70 118.21 1htp s SER 66 Ca -0.02 -0.78 -0.25 0.00 1.31 0.00 0.00 55.95 56.22 1htp s SER 66 Cb -0.17 -0.45 -0.09 0.00 0.21 0.00 0.00 66.02 65.52 1htp s SER 66 CO -0.07 0.10 1.06 -1.81 0.41 0.00 0.00 173.24 172.93 1htp s ASP 67 N -2.89 6.84 -0.21 2.44 1.01 -1.26 -0.29 116.67 122.32 1htp s ASP 67 Ca 0.24 2.08 -0.02 0.00 0.71 0.00 0.00 52.55 55.56 1htp s ASP 67 Cb -0.08 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1htp s ASP 67 CO 0.13 -0.44 -0.10 -0.69 0.21 0.00 0.00 175.17 174.29 1htp s VAL 68 N -1.56 2.93 0.17 -1.27 1.01 -0.43 -4.85 120.40 116.39 1htp s VAL 68 Ca 0.55 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1htp s VAL 68 Cb -0.24 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1htp s VAL 68 CO 0.30 0.46 0.38 0.20 0.00 0.00 0.00 175.10 176.44 1htp s ASN 69 N 1.40 6.43 -0.01 3.32 0.01 -1.26 -0.94 114.94 123.90 1htp s ASN 69 Ca 0.05 0.49 -0.30 0.00 -0.71 0.00 0.00 52.86 52.40 1htp s ASN 69 Cb -0.14 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 1htp s ASN 69 CO -0.06 0.01 1.17 -0.55 -1.51 0.00 0.00 177.10 176.16 1htp s SER 70 N -2.78 7.10 0.30 -1.22 0.15 -0.41 -4.87 113.70 111.98 1htp s SER 70 Ca 0.40 1.86 0.08 0.00 0.70 0.00 0.00 55.95 58.99 1htp s SER 70 Cb -0.12 -2.57 0.47 0.00 -1.71 0.00 0.00 66.02 62.10 1htp s SER 70 CO 0.27 -0.51 1.69 1.55 1.20 0.00 0.00 173.24 177.45 1htp h PRO 71 N 7.15 0.13 -4.71 5.44 0.13 -1.91 0.91 132.00 139.14 1htp h PRO 71 Ca -0.37 -0.07 -0.28 0.00 -0.87 0.00 0.00 66.00 64.41 1htp h PRO 71 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1htp h PRO 71 CO 0.84 0.58 -0.62 0.96 -0.23 0.00 0.00 178.00 179.53 1htp s ILE 72 N -3.99 0.27 0.16 -3.56 -4.36 -1.26 -4.56 121.20 103.90 1htp s ILE 72 Ca -0.03 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.30 1htp s ILE 72 Cb 0.13 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.29 1htp s ILE 72 CO 0.76 -0.07 0.43 -0.44 0.24 0.00 0.00 174.94 175.86 1htp s SER 73 N -3.21 6.55 0.00 4.36 0.01 -1.26 -3.78 113.70 116.37 1htp s SER 73 Ca 0.36 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1htp s SER 73 Cb 0.07 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1htp s SER 73 CO 0.11 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1htp n GLY 74 N 0.12 -1.01 3.32 3.44 0.00 -0.26 -0.68 105.19 110.13 1htp n GLY 74 Ca -0.02 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1htp n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1htp s GLU 75 N -1.73 3.30 -0.39 1.61 2.12 -0.06 0.29 118.70 123.85 1htp s GLU 75 Ca 0.00 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 54.33 1htp s GLU 75 Cb 0.00 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1htp s GLU 75 CO 0.00 0.14 2.03 0.08 -0.54 0.00 0.00 175.26 176.97 1htp s VAL 76 N 0.52 3.25 -0.60 3.70 1.01 0.14 -0.73 120.40 127.69 1htp s VAL 76 Ca -0.10 0.22 0.23 0.00 0.00 0.00 0.00 61.98 62.34 1htp s VAL 76 Cb -0.16 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1htp s VAL 76 CO 0.04 -0.33 1.09 2.30 0.00 0.00 0.00 175.10 178.21 1htp n ILE 77 N 7.58 0.22 -3.54 2.22 -5.35 -0.66 -0.04 119.36 119.79 1htp n ILE 77 Ca 0.27 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.37 1htp n ILE 77 Cb 0.49 0.11 -0.05 0.00 -1.74 0.00 0.00 39.64 38.45 1htp n ILE 77 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1htp s GLU 78 N -3.20 0.79 0.01 6.28 2.12 -1.06 -4.82 118.70 118.83 1htp s GLU 78 Ca 0.04 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.44 1htp s GLU 78 Cb 0.14 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 1htp s GLU 78 CO 0.78 -0.27 -0.03 0.08 -0.54 0.00 0.00 175.26 175.28 1htp s VAL 79 N -1.63 0.18 -0.86 3.70 1.01 -1.26 -1.32 120.40 120.22 1htp s VAL 79 Ca -0.03 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1htp s VAL 79 Cb -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 36.38 36.19 1htp s VAL 79 CO 0.01 -0.25 1.28 0.21 0.00 0.00 0.00 175.10 176.35 1htp s ASN 80 N -0.86 6.35 0.04 3.32 3.84 -0.49 -4.79 114.94 122.35 1htp s ASN 80 Ca -0.08 -1.10 0.20 0.00 0.21 0.00 0.00 52.86 52.10 1htp s ASN 80 Cb -0.06 -2.52 0.85 0.00 -0.55 0.00 0.00 41.25 38.96 1htp s ASN 80 CO -0.00 -1.56 1.64 0.35 -2.79 0.00 0.00 177.10 174.73 1htp n THR 81 N 6.40 0.67 0.27 -5.21 -2.24 -1.26 -2.16 114.28 110.74 1htp n THR 81 Ca 0.16 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1htp n THR 81 Cb 0.49 -0.85 0.72 0.00 -2.10 0.00 0.00 70.33 68.59 1htp n THR 81 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1htp h GLY 82 N 3.30 0.00 1.48 3.38 0.00 -1.96 -2.46 103.07 106.81 1htp h GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1htp h GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1htp n LEU 83 N -4.08 0.00 -0.02 3.11 4.77 -0.92 -1.86 117.00 118.01 1htp n LEU 83 Ca -0.03 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 1htp n LEU 83 Cb 0.15 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1htp n LEU 83 CO 0.31 -0.08 0.22 0.71 -1.33 0.00 0.00 177.39 177.22 1htp h THR 84 N 0.00 1.66 0.21 -5.08 1.35 -1.65 -2.96 112.91 106.44 1htp h THR 84 Ca 0.00 -2.43 -0.01 0.00 -0.55 0.00 0.00 66.41 63.42 1htp h THR 84 Cb 0.16 3.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 1htp h THR 84 CO 0.00 0.65 -0.10 1.23 -0.25 0.00 0.00 175.52 177.05 1htp h GLY 85 N -0.72 -0.30 -7.10 5.82 0.00 -1.68 -3.41 103.07 95.68 1htp h GLY 85 Ca -0.07 0.11 -0.64 0.00 0.00 0.00 0.00 47.33 46.73 1htp h GLY 85 CO 0.06 -0.11 -0.42 0.28 0.00 0.00 0.00 176.54 176.35 1htp n LYS 86 N -4.98 2.14 -0.31 4.80 4.76 -0.78 -4.92 118.16 118.87 1htp n LYS 86 Ca -0.08 -4.50 0.29 0.00 -2.87 0.00 0.00 58.31 51.15 1htp n LYS 86 Cb 0.25 -2.33 0.63 0.00 -1.84 0.00 0.00 35.03 31.75 1htp n LYS 86 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1htp h PRO 87 N 5.48 0.19 0.00 1.97 0.11 -1.75 -1.73 132.00 136.26 1htp h PRO 87 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1htp h PRO 87 Cb 0.76 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1htp h PRO 87 CO 0.77 0.12 0.02 0.41 -0.21 0.00 0.00 178.00 179.12 1htp n GLY 88 N -1.61 -0.80 0.33 -0.55 0.00 -1.25 -1.86 105.19 99.44 1htp n GLY 88 Ca 0.25 0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.64 1htp n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1htp h LEU 89 N 0.00 0.00 -0.68 0.99 3.38 -1.67 0.30 115.31 117.63 1htp h LEU 89 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1htp h LEU 89 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1htp h LEU 89 CO 0.00 0.00 -0.39 0.40 0.09 0.00 0.00 178.44 178.54 1htp h ILE 90 N 0.00 1.30 0.00 1.22 2.04 -1.63 0.13 117.51 120.57 1htp h ILE 90 Ca 0.01 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1htp h ILE 90 Cb 0.15 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1htp h ILE 90 CO -0.00 0.49 -0.03 0.78 0.00 0.00 0.00 178.15 179.39 1htp h ASN 91 N 0.48 0.03 0.55 1.72 -0.26 -0.70 -3.01 115.58 114.38 1htp h ASN 91 Ca 0.04 -0.80 -0.13 0.00 -0.56 0.00 0.00 56.30 54.85 1htp h ASN 91 Cb 0.89 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.12 1htp h ASN 91 CO 0.08 0.82 -0.61 0.77 -1.06 0.00 0.00 177.43 177.43 1htp h SER 92 N -0.76 0.07 -1.28 5.81 4.64 -1.12 -3.39 113.55 117.51 1htp h SER 92 Ca -0.00 -0.04 -0.36 0.00 -0.47 0.00 0.00 61.79 60.92 1htp h SER 92 Cb 0.83 -0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 62.64 1htp h SER 92 CO 0.01 0.66 -0.73 -1.54 -0.87 0.00 0.00 176.83 174.35 1htp n SER 93 N -3.83 -1.88 0.29 4.97 3.41 0.03 -5.00 113.62 111.61 1htp n SER 93 Ca -0.01 -2.84 0.18 0.00 -0.26 0.00 0.00 58.87 55.94 1htp n SER 93 Cb 0.61 0.74 0.98 0.00 -0.26 0.00 0.00 64.21 66.28 1htp n SER 93 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1htp h PRO 94 N 4.70 0.00 -0.01 4.33 0.13 -1.62 0.13 132.00 139.67 1htp h PRO 94 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1htp h PRO 94 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1htp h PRO 94 CO 0.27 0.00 -0.14 0.66 -0.23 0.00 0.00 178.00 178.56 1htp n TYR 95 N -3.43 0.00 0.00 1.56 4.01 -1.26 -4.37 117.16 113.66 1htp n TYR 95 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1htp n TYR 95 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1htp n TYR 95 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1htp n GLU 96 N 0.03 0.00 0.00 -0.72 -0.58 -0.98 -4.87 120.64 113.52 1htp n GLU 96 Ca 0.05 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.83 1htp n GLU 96 Cb 0.23 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.32 1htp n GLU 96 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1htp n ASP 97 N 0.00 0.00 -1.53 1.62 8.00 -1.21 -2.69 116.55 120.75 1htp n ASP 97 Ca 0.00 0.32 0.06 0.00 0.71 0.00 0.00 54.79 55.88 1htp n ASP 97 Cb 0.00 -0.39 0.34 0.00 -0.02 0.00 0.00 41.12 41.05 1htp n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1htp n GLY 98 N -0.49 3.51 3.75 0.44 0.00 -0.00 -4.85 105.19 107.55 1htp n GLY 98 Ca 0.03 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1htp n GLY 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1htp s TRP 99 N -2.84 2.36 -0.23 1.61 1.48 -1.09 -4.69 118.94 115.54 1htp s TRP 99 Ca 0.50 1.48 -0.14 0.00 -1.06 0.00 0.00 56.10 56.88 1htp s TRP 99 Cb 0.39 -3.58 -0.10 0.00 -1.16 0.00 0.00 33.47 29.03 1htp s TRP 99 CO 0.13 -2.41 -0.33 -1.33 -4.06 0.00 0.00 176.95 168.95 1htp n MET 100 N -1.42 0.53 -4.04 3.25 2.81 0.11 -4.57 117.12 113.80 1htp n MET 100 Ca 0.13 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 56.13 1htp n MET 100 Cb 0.48 -1.40 -0.11 0.00 -0.71 0.00 0.00 33.22 31.48 1htp n MET 100 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1htp s ILE 101 N -2.58 0.37 -0.19 2.02 -4.36 -1.08 -1.39 121.20 114.00 1htp s ILE 101 Ca -0.33 -1.11 -0.02 0.00 -0.26 0.00 0.00 60.65 58.92 1htp s ILE 101 Cb 0.11 -0.60 -0.01 0.00 1.25 0.00 0.00 42.46 43.21 1htp s ILE 101 CO 0.44 -0.49 -0.08 -0.54 0.24 0.00 0.00 174.94 174.50 1htp s LYS 102 N -1.81 3.36 0.38 0.37 1.02 -0.44 -0.75 119.74 121.87 1htp s LYS 102 Ca -0.10 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.31 1htp s LYS 102 Cb -0.08 -2.85 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 1htp s LYS 102 CO -0.01 -0.06 0.07 0.96 -0.92 0.00 0.00 175.35 175.39 1htp s ILE 103 N 1.08 2.40 -0.40 2.17 -4.36 0.38 -1.65 121.20 120.82 1htp s ILE 103 Ca 0.00 -1.89 -0.10 0.00 -0.26 0.00 0.00 60.65 58.41 1htp s ILE 103 Cb -0.15 -2.90 0.05 0.00 1.25 0.00 0.00 42.46 40.72 1htp s ILE 103 CO -0.01 -0.10 0.23 -0.75 0.24 0.00 0.00 174.94 174.55 1htp s LYS 104 N -3.78 2.71 0.26 0.37 2.20 0.10 -1.41 119.74 120.19 1htp s LYS 104 Ca 0.37 -1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.41 1htp s LYS 104 Cb 0.03 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.51 1htp s LYS 104 CO 0.20 -0.83 1.33 -1.25 -0.36 0.00 0.00 175.35 174.44 1htp s PRO 105 N 1.49 4.37 0.03 4.03 0.04 -1.26 -0.88 135.00 142.81 1htp s PRO 105 Ca 0.02 2.15 0.22 0.00 0.04 0.00 0.00 61.00 63.43 1htp s PRO 105 Cb -0.21 -3.13 -0.20 0.00 0.04 0.00 0.00 34.50 31.00 1htp s PRO 105 CO 0.04 -0.24 0.72 0.25 0.04 0.00 0.00 177.00 177.82 1htp n THR 106 N 1.85 0.14 -3.52 1.26 -2.24 0.15 -4.72 114.28 107.19 1htp n THR 106 Ca 0.04 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1htp n THR 106 Cb 0.42 0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 1htp n THR 106 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1htp s SER 107 N -4.39 3.04 0.30 3.42 0.01 -1.26 -5.04 113.70 109.78 1htp s SER 107 Ca -0.03 -2.38 0.01 0.00 1.31 0.00 0.00 55.95 54.86 1htp s SER 107 Cb 0.14 -0.57 0.53 0.00 0.21 0.00 0.00 66.02 66.32 1htp s SER 107 CO 0.86 -0.29 1.91 -0.65 0.41 0.00 0.00 173.24 175.49 1htp h PRO 108 N 6.82 1.00 0.00 12.44 0.11 -1.92 -2.57 132.00 147.87 1htp h PRO 108 Ca 0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1htp h PRO 108 Cb 0.95 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1htp h PRO 108 CO 0.33 0.66 0.02 -0.40 -0.21 0.00 0.00 178.00 178.40 1htp n ASP 109 N -4.49 0.38 0.07 -2.05 5.75 -1.26 -1.61 116.55 113.34 1htp n ASP 109 Ca 0.14 0.67 0.04 0.00 -0.01 0.00 0.00 54.79 55.62 1htp n ASP 109 Cb 0.21 -0.71 0.43 0.00 -1.03 0.00 0.00 41.12 40.02 1htp n ASP 109 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1htp h GLU 110 N 0.00 0.38 -0.63 0.11 5.08 -1.88 -1.38 114.58 116.26 1htp h GLU 110 Ca 0.00 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1htp h GLU 110 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1htp h GLU 110 CO 0.00 0.33 0.45 -0.07 -1.00 0.00 0.00 179.01 178.72 1htp h LEU 111 N 0.38 0.05 -0.55 1.33 3.38 -1.53 -2.16 115.31 116.23 1htp h LEU 111 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1htp h LEU 111 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1htp h LEU 111 CO -0.01 0.03 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 1htp h GLU 112 N 0.06 0.00 -0.24 1.13 4.39 -1.46 -2.29 114.58 116.17 1htp h GLU 112 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1htp h GLU 112 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1htp h GLU 112 CO -0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.70 1htp n SER 113 N -2.97 1.36 -4.99 1.42 3.41 -0.81 -4.93 113.62 106.12 1htp n SER 113 Ca 0.03 -1.95 -0.19 0.00 -0.26 0.00 0.00 58.87 56.50 1htp n SER 113 Cb 0.43 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1htp n SER 113 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1htp s LEU 114 N -1.08 3.85 0.11 1.04 1.43 -0.86 -5.05 118.68 118.12 1htp s LEU 114 Ca 0.19 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 1htp s LEU 114 Cb 0.10 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 1htp s LEU 114 CO 0.14 -0.55 1.02 -0.76 0.23 0.00 0.00 176.35 176.43 1htp s LEU 115 N -4.28 4.47 0.00 1.79 1.43 0.25 -4.79 118.68 117.55 1htp s LEU 115 Ca 0.47 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 55.31 1htp s LEU 115 Cb -0.10 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.73 1htp s LEU 115 CO 0.33 -0.16 1.14 0.61 0.23 0.00 0.00 176.35 178.50 1htp n GLY 116 N 2.34 -1.48 0.17 -3.19 0.00 -1.26 -0.79 105.19 100.97 1htp n GLY 116 Ca 0.03 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 1htp n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htp h ALA 117 N -1.84 -0.34 -0.59 4.61 0.00 -1.84 -1.84 119.26 117.43 1htp h ALA 117 Ca -0.37 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1htp h ALA 117 Cb 1.02 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1htp h ALA 117 CO 0.26 -0.55 0.39 0.87 0.00 0.00 0.00 179.25 180.22 1htp h LYS 118 N -0.62 0.69 0.00 0.00 1.79 -1.96 -0.68 116.57 115.79 1htp h LYS 118 Ca -0.03 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1htp h LYS 118 Cb 0.44 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1htp h LYS 118 CO 0.06 0.46 -0.27 0.93 -1.08 0.00 0.00 179.45 179.54 1htp h GLU 119 N 0.71 0.00 0.08 3.15 5.08 -1.88 -1.44 114.58 120.28 1htp h GLU 119 Ca 0.23 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.34 1htp h GLU 119 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1htp h GLU 119 CO -0.06 0.27 -1.31 -0.92 -1.00 0.00 0.00 179.01 176.00 1htp h TYR 120 N 0.00 0.32 -0.71 4.33 3.20 -0.33 -2.29 116.97 121.48 1htp h TYR 120 Ca -0.00 -0.23 0.15 0.00 3.14 0.00 0.00 58.73 61.78 1htp h TYR 120 Cb 0.62 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.77 1htp h TYR 120 CO 0.00 1.51 0.19 1.15 -1.64 0.00 0.00 178.16 179.37 1htp h THR 121 N -0.48 0.56 -0.62 1.81 2.02 -1.12 0.20 112.91 115.29 1htp h THR 121 Ca -0.30 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1htp h THR 121 Cb 1.62 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1htp h THR 121 CO 0.00 0.05 0.20 0.50 0.37 0.00 0.00 175.52 176.65 1htp h LYS 122 N 0.29 0.96 -0.16 6.66 3.64 -1.34 0.23 116.57 126.85 1htp h LYS 122 Ca 0.39 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1htp h LYS 122 Cb 0.64 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1htp h LYS 122 CO -0.47 0.85 -0.45 0.35 -2.27 0.00 0.00 179.45 177.46 1htp h PHE 123 N 0.89 0.47 -0.20 1.91 3.57 -0.63 -0.42 116.94 122.53 1htp h PHE 123 Ca 0.20 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1htp h PHE 123 Cb 0.28 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1htp h PHE 123 CO 0.02 0.78 -0.35 0.00 -2.23 0.00 0.00 178.31 176.52 1htp h GLU 125 N 0.37 0.35 -0.28 0.00 5.08 0.40 0.30 114.58 120.79 1htp h GLU 125 Ca 0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1htp h GLU 125 Cb 0.80 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1htp h GLU 125 CO 0.06 0.34 0.04 0.93 -1.00 0.00 0.00 179.01 179.38 1htp h GLU 126 N 0.27 0.42 -0.17 2.33 5.08 -0.95 0.15 114.58 121.71 1htp h GLU 126 Ca 0.08 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1htp h GLU 126 Cb 0.10 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1htp h GLU 126 CO -0.01 0.42 -0.55 0.93 -1.00 0.00 0.00 179.01 178.80 1htp h GLU 127 N 0.41 0.68 -0.66 2.33 5.08 -0.62 -2.49 114.58 119.31 1htp h GLU 127 Ca 0.10 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1htp h GLU 127 Cb 0.22 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1htp h GLU 127 CO 0.00 1.12 0.17 -0.44 -1.00 0.00 0.00 179.01 178.86 1htp h ASP 128 N 0.37 0.97 0.17 1.42 3.32 -0.34 -1.23 116.42 121.10 1htp h ASP 128 Ca -0.02 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1htp h ASP 128 Cb 1.17 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1htp h ASP 128 CO 0.12 0.93 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 1htp n ALA 129 N -2.46 2.36 -0.64 3.45 0.00 0.48 -3.44 120.51 120.27 1htp n ALA 129 Ca 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1htp n ALA 129 Cb 0.24 -1.40 0.25 0.00 0.00 0.00 0.00 19.45 18.53 1htp n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1htp n ALA 130 N -1.11 4.23 -1.47 0.00 0.00 -0.46 -5.03 120.51 116.67 1htp n ALA 130 Ca 0.16 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1htp n ALA 130 Cb 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1htp n ALA 130 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08