#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rd8 n LEU 2 N 0.00 0.00 -3.60 0.99 4.77 -1.26 -2.35 117.00 115.55 1rd8 n LEU 2 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1rd8 n LEU 2 Cb 0.00 0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1rd8 n LEU 2 CO 0.00 0.22 0.85 0.72 -1.33 0.00 0.00 177.39 177.85 1rd8 s PHE 3 N -2.31 -0.32 0.54 -1.77 -0.12 -1.26 -2.05 117.98 110.69 1rd8 s PHE 3 Ca -0.05 0.59 0.03 0.00 -0.05 0.00 0.00 56.93 57.45 1rd8 s PHE 3 Cb 0.04 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1rd8 s PHE 3 CO 0.42 -0.26 0.21 0.20 -0.05 0.00 0.00 175.22 175.74 1rd8 s GLY 4 N -0.84 2.74 -0.61 1.99 0.00 -1.26 -4.91 107.32 104.44 1rd8 s GLY 4 Ca 0.01 -0.66 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 1rd8 s GLY 4 CO -0.02 -2.08 1.03 0.00 0.00 0.00 0.00 173.10 172.02 1rd8 s ALA 5 N -2.85 3.07 -0.64 3.20 0.00 -1.26 -4.95 121.76 118.32 1rd8 s ALA 5 Ca 0.18 -1.36 -0.37 0.00 0.00 0.00 0.00 51.96 50.41 1rd8 s ALA 5 Cb -0.01 -3.88 -0.18 0.00 0.00 0.00 0.00 23.12 19.05 1rd8 s ALA 5 CO 0.11 -2.65 2.36 -0.89 0.00 0.00 0.00 175.76 174.69 1rd8 n ILE 6 N 6.21 0.03 0.02 0.00 2.08 -1.26 -4.71 119.36 121.73 1rd8 n ILE 6 Ca 0.01 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1rd8 n ILE 6 Cb 0.47 -0.85 0.00 0.00 -0.75 0.00 0.00 39.64 38.52 1rd8 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rd8 n ALA 7 N 9.48 1.87 -1.42 -1.39 0.00 -1.26 -4.86 120.51 122.92 1rd8 n ALA 7 Ca 0.55 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.54 1rd8 n ALA 7 Cb 0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1rd8 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rd8 n GLY 8 N 1.49 -1.62 0.25 0.00 0.00 -1.26 -4.81 105.19 99.24 1rd8 n GLY 8 Ca 0.00 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1rd8 n GLY 8 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rd8 h PHE 9 N 1.03 0.00 0.00 1.61 3.57 -2.03 -3.44 116.94 117.67 1rd8 h PHE 9 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1rd8 h PHE 9 Cb 1.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1rd8 h PHE 9 CO 0.40 0.10 0.00 -0.89 -2.23 0.00 0.00 178.31 175.69 1rd8 n ILE 10 N -4.26 0.00 -1.82 1.41 2.08 -1.26 -5.15 119.36 110.36 1rd8 n ILE 10 Ca -0.03 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 1rd8 n ILE 10 Cb 0.18 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.18 1rd8 n ILE 10 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1rd8 s GLU 11 N -0.01 1.56 0.13 0.38 2.02 -1.26 -4.93 118.70 116.59 1rd8 s GLU 11 Ca 0.00 0.06 0.21 0.00 0.02 0.00 0.00 54.97 55.27 1rd8 s GLU 11 Cb 0.00 -1.91 0.86 0.00 0.10 0.00 0.00 34.13 33.18 1rd8 s GLU 11 CO 0.00 -1.87 1.66 0.41 0.02 0.00 0.00 175.26 175.48 1rd8 n GLY 12 N -3.14 -1.26 6.38 -1.39 0.00 -1.26 -4.85 105.19 99.67 1rd8 n GLY 12 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1rd8 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rd8 n GLY 13 N 0.35 0.57 0.00 -0.02 0.00 -1.26 -4.78 105.19 100.04 1rd8 n GLY 13 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1rd8 n GLY 13 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rd8 n TRP 14 N 0.00 0.00 -2.85 1.61 7.02 -1.26 -5.11 117.44 116.84 1rd8 n TRP 14 Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 1rd8 n TRP 14 Cb 0.00 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 1rd8 n TRP 14 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1rd8 s THR 15 N -0.50 4.57 1.31 -0.99 2.01 -1.26 -4.87 115.64 115.92 1rd8 s THR 15 Ca 0.00 1.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.92 1rd8 s THR 15 Cb 0.00 -3.65 0.32 0.00 0.01 0.00 0.00 72.50 69.18 1rd8 s THR 15 CO 0.00 -0.38 0.72 0.61 -0.69 0.00 0.00 174.62 174.88 1rd8 n GLY 16 N -0.83 -3.43 5.77 4.40 0.00 -1.26 -4.11 105.19 105.73 1rd8 n GLY 16 Ca 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1rd8 n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rd8 n MET 17 N -4.43 0.00 -3.03 1.61 2.81 -1.26 -4.76 117.12 108.06 1rd8 n MET 17 Ca 0.11 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.61 1rd8 n MET 17 Cb 0.50 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.96 1rd8 n MET 17 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1rd8 s ILE 18 N 0.00 4.87 -0.78 2.02 1.09 -1.26 -4.97 121.20 122.17 1rd8 s ILE 18 Ca 0.00 1.52 0.03 0.00 -1.10 0.00 0.00 60.65 61.10 1rd8 s ILE 18 Cb 0.00 -4.07 0.28 0.00 -1.06 0.00 0.00 42.46 37.62 1rd8 s ILE 18 CO 0.00 0.33 1.06 -0.67 -0.10 0.00 0.00 174.94 175.56 1rd8 n ASP 19 N 3.13 4.86 0.00 3.58 2.03 -1.26 -4.64 116.55 124.25 1rd8 n ASP 19 Ca -0.03 -3.49 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1rd8 n ASP 19 Cb 0.51 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1rd8 n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rd8 n GLY 20 N 0.76 -0.62 3.53 0.27 0.00 -1.26 -5.00 105.19 102.86 1rd8 n GLY 20 Ca 0.30 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 1rd8 n GLY 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1rd8 s TRP 21 N -3.00 -0.33 -0.12 1.61 1.48 -1.26 -4.76 118.94 112.56 1rd8 s TRP 21 Ca 0.00 0.17 -0.17 0.00 -1.06 0.00 0.00 56.10 55.04 1rd8 s TRP 21 Cb 0.00 0.55 -0.04 0.00 -1.16 0.00 0.00 33.47 32.82 1rd8 s TRP 21 CO 0.00 -0.59 0.41 0.71 -4.06 0.00 0.00 176.95 173.43 1rd8 s TYR 22 N -3.16 3.51 0.00 1.66 2.02 -1.26 -4.99 117.35 115.12 1rd8 s TYR 22 Ca 0.06 0.80 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 1rd8 s TYR 22 Cb -0.01 -2.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1rd8 s TYR 22 CO -0.08 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.54 1rd8 n GLY 23 N 3.20 2.63 3.76 0.71 0.00 -1.26 0.57 105.19 114.80 1rd8 n GLY 23 Ca -0.09 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1rd8 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rd8 s TYR 24 N -4.16 2.04 -0.29 1.61 1.51 0.17 -4.86 117.35 113.37 1rd8 s TYR 24 Ca 0.00 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1rd8 s TYR 24 Cb 0.00 -1.74 0.19 0.00 -0.11 0.00 0.00 41.96 40.30 1rd8 s TYR 24 CO 0.00 0.14 0.56 -1.58 -1.11 0.00 0.00 175.55 173.57 1rd8 s HIS 25 N -2.79 -1.57 0.50 2.71 2.46 -1.26 -2.94 115.29 112.41 1rd8 s HIS 25 Ca 0.20 1.37 0.07 0.00 0.47 0.00 0.00 55.06 57.17 1rd8 s HIS 25 Cb 0.03 0.40 0.03 0.00 -0.13 0.00 0.00 32.58 32.90 1rd8 s HIS 25 CO 0.11 -0.93 0.48 -3.38 -2.47 0.00 0.00 174.74 168.55 1rd8 s HIS 26 N 2.80 1.97 -0.28 3.88 -3.43 -0.71 -4.94 115.29 114.58 1rd8 s HIS 26 Ca 0.16 -0.69 -0.02 0.00 -0.80 0.00 0.00 55.06 53.71 1rd8 s HIS 26 Cb -0.13 -2.07 0.16 0.00 -1.43 0.00 0.00 32.58 29.11 1rd8 s HIS 26 CO -0.22 -0.49 0.52 -0.65 -2.00 0.00 0.00 174.74 171.89 1rd8 s GLN 27 N -4.31 0.49 0.24 -0.38 -0.21 -1.26 -2.56 119.66 111.66 1rd8 s GLN 27 Ca 0.45 0.87 0.05 0.00 0.02 0.00 0.00 55.36 56.75 1rd8 s GLN 27 Cb -0.03 0.21 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 1rd8 s GLN 27 CO 0.27 -0.60 0.18 0.27 -2.12 0.00 0.00 175.29 173.29 1rd8 n ASN 28 N 5.41 -0.20 -0.03 5.90 2.04 -0.68 -4.99 115.26 122.71 1rd8 n ASN 28 Ca -0.03 -2.52 -0.14 0.00 -0.44 0.00 0.00 54.58 51.46 1rd8 n ASN 28 Cb 0.51 1.08 -0.08 0.00 -2.53 0.00 0.00 39.78 38.75 1rd8 n ASN 28 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1rd8 h GLU 29 N 0.00 -0.50 -1.28 -3.83 5.08 -2.02 0.09 114.58 112.12 1rd8 h GLU 29 Ca -0.17 0.03 0.37 0.00 -1.00 0.00 0.00 59.36 58.59 1rd8 h GLU 29 Cb 0.83 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1rd8 h GLU 29 CO 0.26 -0.33 0.90 1.96 -1.00 0.00 0.00 179.01 180.79 1rd8 h GLN 30 N -0.52 0.07 0.00 2.33 4.20 -1.97 -3.47 115.11 115.75 1rd8 h GLN 30 Ca 0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1rd8 h GLN 30 Cb 0.65 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1rd8 h GLN 30 CO -0.46 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.15 1rd8 n GLY 31 N -1.72 0.93 3.94 3.46 0.00 0.02 -5.11 105.19 106.70 1rd8 n GLY 31 Ca 0.29 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1rd8 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rd8 s SER 32 N -4.00 6.20 0.03 1.61 1.04 -1.26 -1.69 113.70 115.63 1rd8 s SER 32 Ca 0.00 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1rd8 s SER 32 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 66.02 64.34 1rd8 s SER 32 CO 0.00 -0.04 0.26 -0.83 0.98 0.00 0.00 173.24 173.61 1rd8 s GLY 33 N -3.81 -0.07 -0.09 7.32 0.00 -1.06 -4.97 107.32 104.65 1rd8 s GLY 33 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1rd8 s GLY 33 CO 0.28 -0.25 -0.08 -0.19 0.00 0.00 0.00 173.10 172.87 1rd8 s TYR 34 N -2.30 1.29 -0.03 1.90 1.51 -1.26 -1.74 117.35 116.71 1rd8 s TYR 34 Ca -0.07 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 1rd8 s TYR 34 Cb -0.02 -1.06 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1rd8 s TYR 34 CO -0.02 -0.39 0.01 0.00 -1.11 0.00 0.00 175.55 174.05 1rd8 s ALA 35 N 1.35 0.26 0.09 3.71 0.00 -1.15 -5.01 121.76 121.02 1rd8 s ALA 35 Ca -0.02 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1rd8 s ALA 35 Cb -0.14 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 1rd8 s ALA 35 CO -0.04 -0.14 0.81 0.00 0.00 0.00 0.00 175.76 176.40 1rd8 s ALA 36 N 1.18 3.36 -0.47 0.00 0.00 -1.26 0.44 121.76 125.00 1rd8 s ALA 36 Ca -0.08 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1rd8 s ALA 36 Cb -0.13 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1rd8 s ALA 36 CO -0.02 0.11 1.34 0.34 0.00 0.00 0.00 175.76 177.53 1rd8 s ASP 37 N -0.34 6.36 0.01 0.00 2.15 0.19 -4.91 116.67 120.13 1rd8 s ASP 37 Ca 0.40 0.60 -0.06 0.00 0.43 0.00 0.00 52.55 53.92 1rd8 s ASP 37 Cb -0.22 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1rd8 s ASP 37 CO 0.25 -1.46 1.09 -0.61 -0.17 0.00 0.00 175.17 174.28 1rd8 h GLN 38 N 10.43 -0.17 -0.90 4.34 4.15 -1.92 -2.35 115.11 128.69 1rd8 h GLN 38 Ca -0.26 0.01 0.25 0.00 0.77 0.00 0.00 58.65 59.42 1rd8 h GLN 38 Cb 1.09 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.67 1rd8 h GLN 38 CO 1.12 -0.12 0.24 -0.22 -1.93 0.00 0.00 178.83 177.92 1rd8 h LYS 39 N -0.18 0.18 0.06 1.69 3.64 -1.95 -0.26 116.57 119.75 1rd8 h LYS 39 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1rd8 h LYS 39 Cb 0.15 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1rd8 h LYS 39 CO -0.00 0.12 -0.03 0.66 -2.27 0.00 0.00 179.45 177.93 1rd8 h SER 40 N 0.19 -0.07 -0.30 4.20 4.64 -1.94 -3.03 113.55 117.23 1rd8 h SER 40 Ca 0.57 -0.50 0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1rd8 h SER 40 Cb 1.19 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 1rd8 h SER 40 CO -0.68 0.62 -0.24 0.74 -0.87 0.00 0.00 176.83 176.40 1rd8 h THR 41 N -0.93 0.38 -0.67 2.95 2.02 -0.84 -2.25 112.91 113.58 1rd8 h THR 41 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1rd8 h THR 41 Cb 0.57 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 1rd8 h THR 41 CO 0.01 0.00 0.27 -0.61 0.37 0.00 0.00 175.52 175.57 1rd8 h GLN 42 N -0.22 0.45 -0.71 6.66 5.75 -1.20 -1.79 115.11 124.05 1rd8 h GLN 42 Ca 0.16 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.71 1rd8 h GLN 42 Cb 0.46 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 1rd8 h GLN 42 CO -0.43 0.30 0.37 -0.97 -2.65 0.00 0.00 178.83 175.46 1rd8 h ASN 43 N 0.46 0.52 -0.50 -0.69 -0.73 -1.28 -1.62 115.58 111.74 1rd8 h ASN 43 Ca 0.34 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.51 1rd8 h ASN 43 Cb 0.43 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 1rd8 h ASN 43 CO -0.32 0.31 0.14 0.00 -0.37 0.00 0.00 177.43 177.19 1rd8 h ALA 44 N 1.40 0.65 -0.64 1.57 0.00 -0.99 -0.99 119.26 120.26 1rd8 h ALA 44 Ca 0.34 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1rd8 h ALA 44 Cb 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1rd8 h ALA 44 CO -0.23 0.33 0.36 0.82 0.00 0.00 0.00 179.25 180.53 1rd8 h ILE 45 N 0.68 0.98 -0.64 0.00 2.04 -1.02 0.13 117.51 119.68 1rd8 h ILE 45 Ca 0.16 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1rd8 h ILE 45 Cb 0.31 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1rd8 h ILE 45 CO -0.00 0.12 0.36 0.44 0.00 0.00 0.00 178.15 179.07 1rd8 h ASP 46 N 0.67 0.79 0.12 1.72 3.32 -1.10 -2.01 116.42 119.93 1rd8 h ASP 46 Ca 0.28 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1rd8 h ASP 46 Cb 0.16 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1rd8 h ASP 46 CO -0.17 0.64 -0.06 1.23 -1.72 0.00 0.00 179.24 179.17 1rd8 h GLY 47 N 0.87 -0.17 2.00 2.75 0.00 -0.49 -1.51 103.07 106.51 1rd8 h GLY 47 Ca 0.23 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1rd8 h GLY 47 CO -0.04 -0.06 -0.38 -2.22 0.00 0.00 0.00 176.54 173.84 1rd8 h ILE 48 N -0.42 1.18 -0.00 2.60 1.08 -0.80 -1.26 117.51 119.89 1rd8 h ILE 48 Ca -0.02 -1.36 -0.18 0.00 -0.39 0.00 0.00 64.86 62.91 1rd8 h ILE 48 Cb 0.34 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1rd8 h ILE 48 CO 0.03 0.38 -0.83 0.71 -0.69 0.00 0.00 178.15 177.75 1rd8 h THR 49 N 0.00 1.51 -0.23 -0.27 1.35 -1.27 -0.78 112.91 113.21 1rd8 h THR 49 Ca -0.00 -2.59 -0.06 0.00 -0.55 0.00 0.00 66.41 63.20 1rd8 h THR 49 Cb 0.72 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 1rd8 h THR 49 CO 0.05 0.75 -0.12 -1.13 -0.25 0.00 0.00 175.52 174.82 1rd8 h ASN 50 N 0.08 0.37 0.06 5.36 -0.73 -0.77 -0.99 115.58 118.95 1rd8 h ASN 50 Ca -0.03 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.05 1rd8 h ASN 50 Cb 1.44 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.93 1rd8 h ASN 50 CO 0.12 0.52 -0.03 0.50 -0.37 0.00 0.00 177.43 178.18 1rd8 h LYS 51 N 0.36 -0.07 -0.85 6.67 3.64 -0.92 -1.23 116.57 124.17 1rd8 h LYS 51 Ca 0.07 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1rd8 h LYS 51 Cb 0.44 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1rd8 h LYS 51 CO 0.02 0.50 0.56 0.28 -2.27 0.00 0.00 179.45 178.54 1rd8 h VAL 52 N -0.73 1.17 -0.30 2.00 2.07 -1.10 -2.37 116.25 116.98 1rd8 h VAL 52 Ca -0.01 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1rd8 h VAL 52 Cb 0.61 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1rd8 h VAL 52 CO 0.01 0.20 -0.06 0.78 0.02 0.00 0.00 177.57 178.52 1rd8 h ASN 53 N 1.09 0.56 -0.41 0.57 4.21 -1.13 -2.56 115.58 117.92 1rd8 h ASN 53 Ca 0.33 -0.36 0.07 0.00 1.21 0.00 0.00 56.30 57.55 1rd8 h ASN 53 Cb -0.03 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 36.95 1rd8 h ASN 53 CO -0.09 0.79 0.05 0.28 -1.29 0.00 0.00 177.43 177.17 1rd8 h SER 54 N 0.33 -0.06 -0.56 5.81 0.02 -0.79 0.43 113.55 118.74 1rd8 h SER 54 Ca 0.08 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1rd8 h SER 54 Cb 0.54 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1rd8 h SER 54 CO 0.03 0.00 0.37 0.58 -1.14 0.00 0.00 176.83 176.67 1rd8 h VAL 55 N 0.17 0.96 0.00 2.27 2.07 -1.32 -2.00 116.25 118.39 1rd8 h VAL 55 Ca 0.20 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 1rd8 h VAL 55 Cb 0.26 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1rd8 h VAL 55 CO -0.29 0.09 -0.71 0.40 0.02 0.00 0.00 177.57 177.07 1rd8 h ILE 56 N 0.47 1.02 0.46 4.57 2.04 -0.87 -3.40 117.51 121.79 1rd8 h ILE 56 Ca 0.25 -2.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1rd8 h ILE 56 Cb 0.37 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1rd8 h ILE 56 CO -0.07 0.34 -0.22 -0.33 0.00 0.00 0.00 178.15 177.88 1rd8 h GLU 57 N -1.00 -0.59 -0.05 2.37 4.39 -0.07 -2.86 114.58 116.76 1rd8 h GLU 57 Ca -0.18 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1rd8 h GLU 57 Cb 1.04 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1rd8 h GLU 57 CO -0.11 -0.38 0.26 0.87 -1.16 0.00 0.00 179.01 178.48 1rd8 h LYS 58 N -0.64 0.00 0.00 2.33 1.79 -1.55 -2.78 116.57 115.72 1rd8 h LYS 58 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1rd8 h LYS 58 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1rd8 h LYS 58 CO 0.10 0.00 0.00 -0.12 -1.08 0.00 0.00 179.45 178.35 1rd8 n MET 59 N -3.08 0.00 -0.75 3.15 1.56 -1.08 -4.59 117.12 112.33 1rd8 n MET 59 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1rd8 n MET 59 Cb 0.33 -0.53 0.00 0.00 2.15 0.00 0.00 33.22 35.17 1rd8 n MET 59 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1rd8 n ASN 60 N -0.21 0.00 0.00 6.12 3.02 -1.05 -4.43 115.26 118.71 1rd8 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1rd8 n ASN 60 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rd8 n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1rd8 n THR 61 N -0.18 0.00 -0.44 3.41 -2.24 -1.26 -5.09 114.28 108.48 1rd8 n THR 61 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1rd8 n THR 61 Cb 0.00 -0.86 0.01 0.00 -2.10 0.00 0.00 70.33 67.37 1rd8 n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rd8 n GLN 62 N -2.64 0.00 -4.15 -0.78 1.13 -1.26 -4.99 117.38 104.69 1rd8 n GLN 62 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1rd8 n GLN 62 Cb 0.44 -0.37 -0.10 0.00 0.11 0.00 0.00 30.24 30.33 1rd8 n GLN 62 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1rd8 s PHE 63 N -0.73 0.82 -0.34 1.08 -0.12 -1.26 -5.09 117.98 112.34 1rd8 s PHE 63 Ca 0.19 -0.93 -0.40 0.00 -0.05 0.00 0.00 56.93 55.75 1rd8 s PHE 63 Cb -0.16 -0.49 -0.15 0.00 -0.63 0.00 0.00 43.02 41.59 1rd8 s PHE 63 CO 0.25 -0.19 1.93 2.41 -0.05 0.00 0.00 175.22 179.57 1rd8 n THR 64 N 0.03 0.22 -4.02 -4.49 -1.04 -1.26 -4.87 114.28 98.84 1rd8 n THR 64 Ca -0.13 -0.10 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 1rd8 n THR 64 Cb 0.61 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 1rd8 n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rd8 n ALA 65 N 6.94 0.09 -2.12 2.41 0.00 -1.26 -5.20 120.51 121.38 1rd8 n ALA 65 Ca 0.35 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1rd8 n ALA 65 Cb 0.13 0.93 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1rd8 n ALA 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rd8 n VAL 66 N -0.39 0.00 0.00 0.00 0.24 -1.26 -5.21 118.33 111.71 1rd8 n VAL 66 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1rd8 n VAL 66 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1rd8 n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rd8 n GLY 67 N 0.00 0.98 3.26 7.63 0.00 -1.26 -5.18 105.19 110.62 1rd8 n GLY 67 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1rd8 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rd8 s LYS 68 N -2.00 1.14 -0.07 1.61 3.01 -1.26 -5.16 119.74 117.01 1rd8 s LYS 68 Ca 0.00 -1.54 0.01 0.00 -1.01 0.00 0.00 55.97 53.43 1rd8 s LYS 68 Cb 0.00 -0.40 0.02 0.00 -1.01 0.00 0.00 37.83 36.44 1rd8 s LYS 68 CO 0.00 -0.08 -0.07 -1.83 0.51 0.00 0.00 175.35 173.88 1rd8 s GLU 69 N -3.87 1.21 0.37 1.68 -1.05 -1.26 -5.15 118.70 110.62 1rd8 s GLU 69 Ca 0.23 -0.21 0.05 0.00 -0.15 0.00 0.00 54.97 54.89 1rd8 s GLU 69 Cb 0.05 -1.16 -0.07 0.00 -0.44 0.00 0.00 34.13 32.51 1rd8 s GLU 69 CO 0.04 -0.10 0.04 -0.06 0.95 0.00 0.00 175.26 176.13 1rd8 s PHE 70 N 1.07 2.22 0.52 4.83 0.08 -1.26 -5.14 117.98 120.30 1rd8 s PHE 70 Ca -0.08 -0.83 0.08 0.00 0.12 0.00 0.00 56.93 56.22 1rd8 s PHE 70 Cb -0.14 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 1rd8 s PHE 70 CO -0.01 0.21 0.58 0.54 -0.10 0.00 0.00 175.22 176.44 1rd8 s ASN 71 N -3.60 5.00 0.35 1.36 2.20 -1.26 -4.97 114.94 114.02 1rd8 s ASN 71 Ca 0.35 -0.92 0.21 0.00 -0.94 0.00 0.00 52.86 51.57 1rd8 s ASN 71 Cb 0.09 0.11 1.17 0.00 -2.00 0.00 0.00 41.25 40.61 1rd8 s ASN 71 CO 0.16 -1.10 1.63 -0.55 -2.94 0.00 0.00 177.10 174.31 1rd8 h ASN 72 N 0.54 0.00 -0.53 3.54 -1.07 -2.03 -0.53 115.58 115.50 1rd8 h ASN 72 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.02 1rd8 h ASN 72 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 1rd8 h ASN 72 CO 0.49 0.00 0.00 0.18 0.07 0.00 0.00 177.43 178.17 1rd8 n LEU 73 N -2.28 4.12 -0.97 6.14 4.77 -1.26 -4.51 117.00 123.00 1rd8 n LEU 73 Ca -0.01 -2.38 0.01 0.00 -0.03 0.00 0.00 56.01 53.60 1rd8 n LEU 73 Cb 0.11 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1rd8 n LEU 73 CO 0.10 0.79 0.29 -0.62 -1.33 0.00 0.00 177.39 176.62 1rd8 n GLU 74 N 0.79 1.67 0.02 3.23 1.02 -0.21 -4.81 120.64 122.35 1rd8 n GLU 74 Ca 0.22 -3.26 0.06 0.00 -0.02 0.00 0.00 57.16 54.16 1rd8 n GLU 74 Cb 0.75 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 31.15 1rd8 n GLU 74 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1rd8 h ARG 75 N 1.20 0.43 -0.18 3.49 9.65 -1.79 -2.39 114.38 124.79 1rd8 h ARG 75 Ca 0.02 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 1rd8 h ARG 75 Cb 1.20 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1rd8 h ARG 75 CO 0.12 0.28 -0.50 0.00 2.80 0.00 0.00 179.97 182.68 1rd8 h ARG 76 N 0.44 0.65 -0.69 0.20 3.08 -1.95 -2.56 114.38 113.55 1rd8 h ARG 76 Ca 0.15 -0.46 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 1rd8 h ARG 76 Cb 0.07 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1rd8 h ARG 76 CO -0.04 1.08 0.22 0.82 -1.07 0.00 0.00 179.97 180.99 1rd8 h ILE 77 N 0.33 1.25 -0.28 2.04 1.08 -1.91 -0.88 117.51 119.14 1rd8 h ILE 77 Ca -0.01 -0.87 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1rd8 h ILE 77 Cb 1.12 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1rd8 h ILE 77 CO 0.11 0.34 0.14 -0.08 -0.69 0.00 0.00 178.15 177.97 1rd8 h GLU 78 N 1.02 0.29 -0.13 2.37 4.81 -1.38 0.36 114.58 121.92 1rd8 h GLU 78 Ca 0.23 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1rd8 h GLU 78 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1rd8 h GLU 78 CO -0.01 0.20 -0.42 -0.91 -0.73 0.00 0.00 179.01 177.13 1rd8 h ASN 79 N 0.30 0.32 -0.55 1.04 2.35 -1.37 -1.88 115.58 115.80 1rd8 h ASN 79 Ca 0.11 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1rd8 h ASN 79 Cb 0.03 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1rd8 h ASN 79 CO -0.07 0.71 0.27 0.25 -1.65 0.00 0.00 177.43 176.93 1rd8 h LEU 80 N 0.25 0.75 -1.17 1.61 5.85 -0.46 -1.85 115.31 120.29 1rd8 h LEU 80 Ca 0.02 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1rd8 h LEU 80 Cb 0.86 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1rd8 h LEU 80 CO 0.07 0.65 -0.31 -1.13 -0.34 0.00 0.00 178.44 177.38 1rd8 h ASN 81 N 0.82 0.18 -0.02 1.25 -1.24 0.46 -2.90 115.58 114.12 1rd8 h ASN 81 Ca 0.20 -0.06 -0.17 0.00 0.71 0.00 0.00 56.30 56.98 1rd8 h ASN 81 Cb 0.11 -0.05 0.01 0.00 0.73 0.00 0.00 38.32 39.12 1rd8 h ASN 81 CO -0.02 0.49 -0.66 0.11 -1.29 0.00 0.00 177.43 176.06 1rd8 h LYS 82 N 0.16 0.48 -0.97 6.67 1.57 -1.01 -2.66 116.57 120.81 1rd8 h LYS 82 Ca 0.02 -0.49 0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1rd8 h LYS 82 Cb 0.63 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.00 1rd8 h LYS 82 CO 0.05 1.13 0.64 -0.22 -0.57 0.00 0.00 179.45 180.48 1rd8 h LYS 83 N 0.02 0.37 -0.00 3.15 3.64 -1.24 0.38 116.57 122.88 1rd8 h LYS 83 Ca -0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1rd8 h LYS 83 Cb 1.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1rd8 h LYS 83 CO 0.13 0.24 -0.01 0.28 -2.27 0.00 0.00 179.45 177.82 1rd8 h VAL 84 N 0.38 1.58 0.02 2.00 2.07 -1.39 -1.06 116.25 119.85 1rd8 h VAL 84 Ca 0.52 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1rd8 h VAL 84 Cb 1.36 2.75 -0.04 0.00 -1.52 0.00 0.00 31.29 33.83 1rd8 h VAL 84 CO -0.21 0.45 -0.23 0.44 0.02 0.00 0.00 177.57 178.03 1rd8 h ASP 85 N -0.72 -0.69 0.08 0.57 3.32 -0.91 -1.85 116.42 116.22 1rd8 h ASP 85 Ca -0.00 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1rd8 h ASP 85 Cb 0.74 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1rd8 h ASP 85 CO 0.00 -0.31 -0.45 0.44 -1.72 0.00 0.00 179.24 177.21 1rd8 h ASP 86 N -0.38 0.47 -0.09 6.45 3.32 -1.04 -1.19 116.42 123.96 1rd8 h ASP 86 Ca 0.06 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.93 1rd8 h ASP 86 Cb 0.45 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1rd8 h ASP 86 CO -0.20 0.86 -0.18 1.23 -1.72 0.00 0.00 179.24 179.23 1rd8 h GLY 87 N 1.15 -0.16 0.75 2.75 0.00 -0.87 -1.54 103.07 105.14 1rd8 h GLY 87 Ca 0.03 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1rd8 h GLY 87 CO 0.08 -0.17 0.23 0.74 0.00 0.00 0.00 176.54 177.42 1rd8 h PHE 88 N -0.25 0.42 -0.60 5.60 0.04 -1.06 -2.50 116.94 118.59 1rd8 h PHE 88 Ca 0.09 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.97 1rd8 h PHE 88 Cb 0.37 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.32 1rd8 h PHE 88 CO -0.27 0.21 0.21 1.25 -0.60 0.00 0.00 178.31 179.10 1rd8 h LEU 89 N 0.45 0.18 -0.65 1.54 5.85 -0.74 -0.78 115.31 121.16 1rd8 h LEU 89 Ca 0.20 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1rd8 h LEU 89 Cb 0.11 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1rd8 h LEU 89 CO -0.14 0.11 0.17 0.44 -0.34 0.00 0.00 178.44 178.67 1rd8 h ASP 90 N 0.37 0.98 0.09 1.25 3.32 -1.12 -1.56 116.42 119.74 1rd8 h ASP 90 Ca 0.31 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1rd8 h ASP 90 Cb 0.39 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1rd8 h ASP 90 CO -0.32 0.95 -0.04 0.40 -1.72 0.00 0.00 179.24 178.51 1rd8 h ILE 91 N 0.96 1.11 -0.33 0.35 2.04 -0.92 -1.57 117.51 119.13 1rd8 h ILE 91 Ca 0.20 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1rd8 h ILE 91 Cb 0.35 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1rd8 h ILE 91 CO 0.00 0.18 -0.03 -0.50 0.00 0.00 0.00 178.15 177.80 1rd8 h TRP 92 N -0.45 0.68 -0.07 1.37 4.06 -1.15 -1.32 115.95 119.06 1rd8 h TRP 92 Ca -0.01 -0.13 0.01 0.00 2.06 0.00 0.00 58.89 60.82 1rd8 h TRP 92 Cb 0.38 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 1rd8 h TRP 92 CO 0.04 0.75 -0.02 1.15 -3.56 0.00 0.00 178.44 176.80 1rd8 h THR 93 N 0.40 0.93 -0.33 1.49 2.02 -1.31 0.60 112.91 116.72 1rd8 h THR 93 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1rd8 h THR 93 Cb 0.50 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1rd8 h THR 93 CO 0.02 0.00 0.21 0.22 0.37 0.00 0.00 175.52 176.34 1rd8 h TYR 94 N -0.00 0.42 -0.12 3.16 3.20 -1.23 -1.85 116.97 120.54 1rd8 h TYR 94 Ca 0.03 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1rd8 h TYR 94 Cb 0.05 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1rd8 h TYR 94 CO -0.13 0.29 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.49 1rd8 h ASN 95 N 0.44 0.45 -0.92 -2.11 2.35 -0.71 -1.42 115.58 113.66 1rd8 h ASN 95 Ca 0.12 -0.57 0.03 0.00 -0.55 0.00 0.00 56.30 55.33 1rd8 h ASN 95 Cb -0.03 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 1rd8 h ASN 95 CO -0.02 0.94 0.60 0.00 -1.65 0.00 0.00 177.43 177.30 1rd8 h ALA 96 N 0.53 1.40 0.65 -0.83 0.00 0.21 0.27 119.26 121.49 1rd8 h ALA 96 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rd8 h ALA 96 Cb 0.87 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rd8 h ALA 96 CO 0.06 0.51 -0.31 1.49 0.00 0.00 0.00 179.25 181.00 1rd8 h GLU 97 N 1.17 -0.84 -0.53 0.00 4.57 -1.28 -2.25 114.58 115.41 1rd8 h GLU 97 Ca 0.36 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.70 1rd8 h GLU 97 Cb -0.01 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 28.69 1rd8 h GLU 97 CO -0.11 -0.56 0.01 -0.07 -1.18 0.00 0.00 179.01 177.11 1rd8 h LEU 98 N -1.24 -0.20 -0.81 1.64 3.38 -1.21 -1.89 115.31 114.98 1rd8 h LEU 98 Ca -0.09 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1rd8 h LEU 98 Cb 0.67 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1rd8 h LEU 98 CO 0.15 -0.07 0.48 0.25 0.09 0.00 0.00 178.44 179.33 1rd8 h LEU 99 N 0.13 0.72 -0.11 1.67 5.85 -0.47 -0.71 115.31 122.39 1rd8 h LEU 99 Ca 0.27 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1rd8 h LEU 99 Cb 0.41 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1rd8 h LEU 99 CO -0.43 0.44 -0.20 0.58 -0.34 0.00 0.00 178.44 178.49 1rd8 h VAL 100 N 0.84 1.39 -0.36 1.05 2.07 -0.85 -2.12 116.25 118.28 1rd8 h VAL 100 Ca 0.37 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.47 1rd8 h VAL 100 Cb 0.25 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1rd8 h VAL 100 CO -0.20 0.42 0.06 -0.07 0.02 0.00 0.00 177.57 177.80 1rd8 h LEU 101 N -0.11 -0.01 -0.15 2.57 3.38 -1.04 -1.06 115.31 118.90 1rd8 h LEU 101 Ca 0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1rd8 h LEU 101 Cb 0.78 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1rd8 h LEU 101 CO 0.04 0.03 -0.13 -0.07 0.09 0.00 0.00 178.44 178.41 1rd8 h LEU 102 N 0.18 0.37 0.00 1.67 -0.00 -1.21 -3.05 115.31 113.28 1rd8 h LEU 102 Ca 0.17 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1rd8 h LEU 102 Cb 0.20 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1rd8 h LEU 102 CO -0.23 0.76 0.00 1.21 -0.00 0.00 0.00 178.44 180.18 1rd8 n GLU 103 N -4.57 0.36 -0.02 1.13 4.07 -0.80 -2.79 120.64 118.02 1rd8 n GLU 103 Ca -0.06 0.07 -0.21 0.00 -0.06 0.00 0.00 57.16 56.90 1rd8 n GLU 103 Cb 0.35 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.09 1rd8 n GLU 103 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1rd8 n ASN 104 N -1.24 2.10 0.28 4.31 4.13 -0.41 -2.97 115.26 121.46 1rd8 n ASN 104 Ca 0.11 0.18 0.14 0.00 1.68 0.00 0.00 54.58 56.69 1rd8 n ASN 104 Cb 0.15 -0.82 0.84 0.00 -1.54 0.00 0.00 39.78 38.42 1rd8 n ASN 104 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1rd8 h GLU 105 N 0.01 0.00 -0.00 3.52 4.11 -1.42 -1.30 114.58 119.50 1rd8 h GLU 105 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1rd8 h GLU 105 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1rd8 h GLU 105 CO 0.05 0.06 -0.03 0.00 0.07 0.00 0.00 179.01 179.16 1rd8 h ARG 106 N 0.00 0.03 -0.83 1.06 2.47 -1.62 -2.40 114.38 113.09 1rd8 h ARG 106 Ca -0.00 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1rd8 h ARG 106 Cb 0.17 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1rd8 h ARG 106 CO 0.01 0.73 0.55 1.15 0.56 0.00 0.00 179.97 182.97 1rd8 h THR 107 N -0.66 1.21 -0.30 2.04 2.02 -1.36 -1.48 112.91 114.38 1rd8 h THR 107 Ca -0.00 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1rd8 h THR 107 Cb 0.74 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1rd8 h THR 107 CO 0.01 0.20 -0.20 -0.07 0.37 0.00 0.00 175.52 175.83 1rd8 h LEU 108 N 1.12 0.54 -0.54 2.58 3.38 -1.30 -2.49 115.31 118.60 1rd8 h LEU 108 Ca 0.30 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1rd8 h LEU 108 Cb -0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1rd8 h LEU 108 CO -0.07 0.75 -0.23 0.44 0.09 0.00 0.00 178.44 179.42 1rd8 h ASP 109 N 0.49 0.96 -0.75 -0.43 3.32 -1.22 -2.82 116.42 115.98 1rd8 h ASP 109 Ca 0.08 -0.37 0.10 0.00 0.02 0.00 0.00 57.03 56.86 1rd8 h ASP 109 Cb 0.62 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.83 1rd8 h ASP 109 CO 0.04 1.15 0.38 0.15 -1.72 0.00 0.00 179.24 179.24 1rd8 h PHE 110 N 0.81 0.68 -0.03 4.55 3.57 -1.00 0.10 116.94 125.62 1rd8 h PHE 110 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1rd8 h PHE 110 Cb 0.80 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1rd8 h PHE 110 CO 0.05 0.24 0.00 0.45 -2.23 0.00 0.00 178.31 176.82 1rd8 h HIS 111 N 0.63 0.06 -0.38 0.41 3.86 -1.39 -1.82 115.15 116.53 1rd8 h HIS 111 Ca 0.37 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1rd8 h HIS 111 Cb 0.40 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1rd8 h HIS 111 CO -0.10 0.33 0.23 -0.44 0.86 0.00 0.00 177.93 178.81 1rd8 h ASP 112 N -0.23 0.44 -0.14 2.45 3.32 -1.05 -2.23 116.42 118.99 1rd8 h ASP 112 Ca 0.01 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1rd8 h ASP 112 Cb 0.30 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1rd8 h ASP 112 CO 0.00 0.34 -0.69 0.28 -1.72 0.00 0.00 179.24 177.45 1rd8 h SER 113 N 0.52 0.89 -0.32 6.45 0.02 -0.65 -2.54 113.55 117.92 1rd8 h SER 113 Ca 0.14 -0.55 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 1rd8 h SER 113 Cb -0.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1rd8 h SER 113 CO -0.03 1.34 0.00 0.78 -1.14 0.00 0.00 176.83 177.78 1rd8 h ASN 114 N 0.55 0.63 -0.28 3.07 2.35 -0.76 0.19 115.58 121.33 1rd8 h ASN 114 Ca -0.03 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.44 1rd8 h ASN 114 Cb 1.31 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 1rd8 h ASN 114 CO 0.14 0.70 -0.39 0.58 -1.65 0.00 0.00 177.43 176.82 1rd8 h VAL 115 N 0.63 1.28 -0.01 2.81 2.07 -1.32 -1.47 116.25 120.24 1rd8 h VAL 115 Ca 0.13 -1.56 -0.16 0.00 0.82 0.00 0.00 66.70 65.93 1rd8 h VAL 115 Cb 0.39 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1rd8 h VAL 115 CO 0.01 0.51 -0.74 -0.09 0.02 0.00 0.00 177.57 177.29 1rd8 h ARG 116 N 0.68 0.10 -0.16 1.57 9.65 -1.23 -2.79 114.38 122.20 1rd8 h ARG 116 Ca 0.06 -0.09 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 1rd8 h ARG 116 Cb 0.95 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.55 1rd8 h ARG 116 CO 0.09 0.79 -0.56 -0.97 2.80 0.00 0.00 179.97 182.12 1rd8 h ASN 117 N 0.06 0.54 -0.62 -3.80 -1.24 -0.30 -2.26 115.58 107.96 1rd8 h ASN 117 Ca -0.02 -0.29 -0.02 0.00 0.71 0.00 0.00 56.30 56.68 1rd8 h ASN 117 Cb 1.30 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.17 1rd8 h ASN 117 CO 0.10 0.99 0.30 0.25 -1.29 0.00 0.00 177.43 177.79 1rd8 h LEU 118 N 0.37 0.81 -0.69 0.34 5.85 -1.17 -0.36 115.31 120.45 1rd8 h LEU 118 Ca 0.00 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1rd8 h LEU 118 Cb 1.09 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1rd8 h LEU 118 CO 0.10 0.71 0.41 0.22 -0.34 0.00 0.00 178.44 179.54 1rd8 h TYR 119 N 0.85 0.76 -0.19 1.25 3.20 -1.21 -1.86 116.97 119.77 1rd8 h TYR 119 Ca 0.21 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 1rd8 h TYR 119 Cb 0.11 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1rd8 h TYR 119 CO -0.00 0.39 -0.38 0.93 -1.64 0.00 0.00 178.16 177.46 1rd8 h GLU 120 N 0.77 0.43 -0.31 1.82 4.39 -0.85 0.06 114.58 120.90 1rd8 h GLU 120 Ca 0.30 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1rd8 h GLU 120 Cb 0.12 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1rd8 h GLU 120 CO -0.15 0.75 -0.05 0.87 -1.16 0.00 0.00 179.01 179.26 1rd8 h LYS 121 N 0.36 0.49 0.09 2.33 1.57 -0.44 -1.60 116.57 119.36 1rd8 h LYS 121 Ca 0.04 -0.12 -0.29 0.00 -1.87 0.00 0.00 60.65 58.41 1rd8 h LYS 121 Cb 0.83 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.10 1rd8 h LYS 121 CO 0.07 0.56 -1.18 0.28 -0.57 0.00 0.00 179.45 178.60 1rd8 h VAL 122 N 0.46 1.30 -0.23 0.50 2.07 -0.95 -3.00 116.25 116.41 1rd8 h VAL 122 Ca 0.09 -2.46 0.07 0.00 0.82 0.00 0.00 66.70 65.23 1rd8 h VAL 122 Cb 0.39 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1rd8 h VAL 122 CO 0.02 0.75 0.17 0.50 0.02 0.00 0.00 177.57 179.02 1rd8 h LYS 123 N 0.28 0.00 -0.17 1.57 3.64 -0.71 -1.67 116.57 119.52 1rd8 h LYS 123 Ca -0.17 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1rd8 h LYS 123 Cb 1.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1rd8 h LYS 123 CO 0.22 0.00 -0.53 1.03 -2.27 0.00 0.00 179.45 177.91 1rd8 h SER 124 N 0.00 0.52 0.01 4.20 0.87 -1.15 -2.47 113.55 115.53 1rd8 h SER 124 Ca 0.11 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1rd8 h SER 124 Cb 0.45 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1rd8 h SER 124 CO -0.00 0.95 -0.00 1.56 -0.53 0.00 0.00 176.83 178.81 1rd8 h GLN 125 N 0.37 -0.01 -0.02 2.24 4.20 -1.30 -3.38 115.11 117.21 1rd8 h GLN 125 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rd8 h GLN 125 Cb 1.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1rd8 h GLN 125 CO 0.09 0.85 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.02 1rd8 h LEU 126 N -0.92 0.04 0.00 1.46 3.38 -1.46 -3.43 115.31 114.38 1rd8 h LEU 126 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1rd8 h LEU 126 Cb 0.86 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rd8 h LEU 126 CO 0.00 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.27 1rd8 n LYS 127 N -4.86 0.00 -0.14 1.13 5.02 -0.93 -1.82 118.16 116.56 1rd8 n LYS 127 Ca -0.08 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.34 1rd8 n LYS 127 Cb 0.23 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.47 1rd8 n LYS 127 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rd8 n ASN 128 N -0.17 0.11 0.00 4.39 5.03 -1.26 -2.04 115.26 121.33 1rd8 n ASN 128 Ca 0.00 0.73 0.08 0.00 0.87 0.00 0.00 54.58 56.26 1rd8 n ASN 128 Cb 0.00 -0.34 0.45 0.00 -1.02 0.00 0.00 39.78 38.87 1rd8 n ASN 128 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1rd8 n ASN 129 N -4.08 0.00 -4.01 6.41 3.02 -0.76 -4.69 115.26 111.16 1rd8 n ASN 129 Ca 0.15 -0.45 -0.10 0.00 -0.03 0.00 0.00 54.58 54.16 1rd8 n ASN 129 Cb 0.52 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 1rd8 n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rd8 s ALA 130 N -2.03 0.01 -0.09 5.41 0.00 -0.86 -2.03 121.76 122.17 1rd8 s ALA 130 Ca 0.22 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1rd8 s ALA 130 Cb 0.10 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.28 1rd8 s ALA 130 CO 0.18 -0.76 -0.22 0.21 0.00 0.00 0.00 175.76 175.17 1rd8 s LYS 131 N -4.02 2.94 -0.21 0.00 2.20 -0.02 -4.88 119.74 115.76 1rd8 s LYS 131 Ca 0.23 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 1rd8 s LYS 131 Cb 0.01 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1rd8 s LYS 131 CO 0.07 0.27 1.11 -1.21 -0.36 0.00 0.00 175.35 175.23 1rd8 s GLU 132 N 0.15 4.25 -0.17 4.03 2.02 -1.26 -1.27 118.70 126.44 1rd8 s GLU 132 Ca -0.12 1.46 0.16 0.00 0.02 0.00 0.00 54.97 56.50 1rd8 s GLU 132 Cb -0.16 -3.68 0.41 0.00 0.10 0.00 0.00 34.13 30.80 1rd8 s GLU 132 CO 0.06 -0.65 1.28 0.44 0.02 0.00 0.00 175.26 176.42 1rd8 n ILE 133 N 5.32 2.13 0.00 -1.63 -5.35 -0.83 -4.97 119.36 114.04 1rd8 n ILE 133 Ca 0.13 -2.32 0.00 0.00 -0.27 0.00 0.00 62.75 60.29 1rd8 n ILE 133 Cb 0.46 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1rd8 n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rd8 n GLY 134 N -1.08 -1.00 3.58 3.28 0.00 -1.26 -4.87 105.19 103.85 1rd8 n GLY 134 Ca 0.20 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1rd8 n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rd8 n ASN 135 N -1.65 -4.58 -2.35 1.61 3.02 -0.99 -1.93 115.26 108.39 1rd8 n ASN 135 Ca 0.00 -0.57 -0.20 0.00 -0.03 0.00 0.00 54.58 53.78 1rd8 n ASN 135 Cb 0.00 -3.70 -0.01 0.00 -0.61 0.00 0.00 39.78 35.45 1rd8 n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rd8 n GLY 136 N -1.46 -0.34 3.59 7.41 0.00 -0.87 -4.22 105.19 109.29 1rd8 n GLY 136 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1rd8 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rd8 s PHE 138 N -0.95 2.99 -0.24 0.00 0.40 -1.26 -1.96 117.98 116.95 1rd8 s PHE 138 Ca 0.16 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 56.07 1rd8 s PHE 138 Cb -0.11 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1rd8 s PHE 138 CO 0.06 0.01 0.32 -2.00 0.70 0.00 0.00 175.22 174.31 1rd8 s GLU 139 N 0.17 4.07 0.35 0.44 2.12 -0.40 -4.91 118.70 120.54 1rd8 s GLU 139 Ca -0.02 -0.00 -0.26 0.00 0.36 0.00 0.00 54.97 55.04 1rd8 s GLU 139 Cb -0.14 -3.60 -0.09 0.00 0.26 0.00 0.00 34.13 30.56 1rd8 s GLU 139 CO 0.03 -0.13 1.07 -0.06 -0.54 0.00 0.00 175.26 175.62 1rd8 s PHE 140 N 1.63 3.39 -1.40 5.30 0.40 -1.26 -0.84 117.98 125.20 1rd8 s PHE 140 Ca 0.14 1.67 0.15 0.00 -0.60 0.00 0.00 56.93 58.29 1rd8 s PHE 140 Cb -0.15 -3.19 0.55 0.00 0.51 0.00 0.00 43.02 40.75 1rd8 s PHE 140 CO 0.08 -0.59 1.43 0.66 0.70 0.00 0.00 175.22 177.51 1rd8 n TYR 141 N 0.42 1.08 -3.97 0.36 4.01 -0.86 -4.91 117.16 113.29 1rd8 n TYR 141 Ca 0.03 -0.45 -0.09 0.00 -0.16 0.00 0.00 57.90 57.23 1rd8 n TYR 141 Cb 0.48 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 1rd8 n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1rd8 s HIS 142 N -1.66 0.41 -0.33 -0.72 -3.43 -1.26 -3.96 115.29 104.32 1rd8 s HIS 142 Ca 0.39 -0.81 -0.29 0.00 -0.80 0.00 0.00 55.06 53.56 1rd8 s HIS 142 Cb 0.24 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 31.24 1rd8 s HIS 142 CO 0.21 -0.61 1.53 0.15 -2.00 0.00 0.00 174.74 174.02 1rd8 s LYS 143 N -3.94 3.62 -0.49 -0.38 1.02 -1.26 -4.96 119.74 113.35 1rd8 s LYS 143 Ca 0.14 1.25 -0.12 0.00 0.02 0.00 0.00 55.97 57.26 1rd8 s LYS 143 Cb 0.05 -4.04 0.11 0.00 -0.52 0.00 0.00 37.83 33.43 1rd8 s LYS 143 CO -0.04 -1.50 0.39 0.00 -0.92 0.00 0.00 175.35 173.28 1rd8 s ASP 145 N 2.90 6.26 0.27 0.00 -4.77 -1.26 -4.72 116.67 115.35 1rd8 s ASP 145 Ca 0.04 1.28 0.13 0.00 -3.30 0.00 0.00 52.55 50.70 1rd8 s ASP 145 Cb -0.27 -2.40 0.92 0.00 -1.09 0.00 0.00 42.92 40.08 1rd8 s ASP 145 CO 0.01 -0.76 1.17 0.47 0.70 0.00 0.00 175.17 176.77 1rd8 n ASP 146 N -2.52 0.20 -0.02 2.11 9.92 -1.26 0.53 116.55 125.51 1rd8 n ASP 146 Ca 0.04 1.24 -0.12 0.00 -0.53 0.00 0.00 54.79 55.43 1rd8 n ASP 146 Cb 0.54 -0.58 -0.06 0.00 -0.64 0.00 0.00 41.12 40.38 1rd8 n ASP 146 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rd8 h ALA 147 N 1.49 0.13 -0.79 2.24 0.00 -1.99 -1.95 119.26 118.38 1rd8 h ALA 147 Ca 0.60 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1rd8 h ALA 147 Cb 1.53 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1rd8 h ALA 147 CO -0.60 -0.26 0.52 0.00 0.00 0.00 0.00 179.25 178.91 1rd8 h MET 149 N 1.04 0.99 -0.64 0.00 2.07 -0.69 -2.29 114.93 115.41 1rd8 h MET 149 Ca 0.30 -0.11 -0.05 0.00 -2.07 0.00 0.00 59.70 57.78 1rd8 h MET 149 Cb -0.06 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.44 1rd8 h MET 149 CO -0.08 0.73 0.22 1.49 1.07 0.00 0.00 176.91 180.33 1rd8 h GLU 150 N 0.98 0.98 0.00 1.72 4.81 -1.11 -2.12 114.58 119.84 1rd8 h GLU 150 Ca 0.25 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1rd8 h GLU 150 Cb 0.02 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1rd8 h GLU 150 CO -0.04 0.85 -0.09 0.66 -0.73 0.00 0.00 179.01 179.65 1rd8 h SER 151 N 0.91 0.00 0.19 1.04 4.64 -0.78 -2.09 113.55 117.46 1rd8 h SER 151 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1rd8 h SER 151 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1rd8 h SER 151 CO -0.01 0.09 -0.09 0.58 -0.87 0.00 0.00 176.83 176.53 1rd8 h VAL 152 N 0.00 0.68 0.00 0.95 2.07 -0.95 0.79 116.25 119.79 1rd8 h VAL 152 Ca -0.00 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1rd8 h VAL 152 Cb 0.24 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1rd8 h VAL 152 CO 0.01 0.18 0.07 0.03 0.02 0.00 0.00 177.57 177.88 1rd8 h ARG 153 N -0.92 0.00 0.00 1.57 3.08 -1.11 -1.18 114.38 115.82 1rd8 h ARG 153 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1rd8 h ARG 153 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1rd8 h ARG 153 CO 0.04 0.00 -0.22 0.27 -1.07 0.00 0.00 179.97 178.99 1rd8 n ASN 154 N -2.38 1.79 -0.95 7.04 6.94 -0.82 -4.93 115.26 121.96 1rd8 n ASN 154 Ca -0.02 -3.01 -0.10 0.00 -0.02 0.00 0.00 54.58 51.42 1rd8 n ASN 154 Cb 0.11 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.09 1rd8 n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rd8 n GLY 155 N -1.06 0.73 0.09 4.83 0.00 -0.45 -4.91 105.19 104.43 1rd8 n GLY 155 Ca 0.14 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1rd8 n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rd8 n THR 156 N -3.18 1.78 -1.65 2.61 -2.24 0.26 -5.01 114.28 106.86 1rd8 n THR 156 Ca -0.11 -2.09 -0.48 0.00 -2.27 0.00 0.00 64.05 59.10 1rd8 n THR 156 Cb 0.44 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1rd8 n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rd8 n TYR 157 N -1.28 2.06 -3.11 4.78 9.36 -0.29 -4.89 117.16 123.79 1rd8 n TYR 157 Ca 0.14 0.37 -0.44 0.00 3.32 0.00 0.00 57.90 61.29 1rd8 n TYR 157 Cb 0.60 -2.48 -0.05 0.00 -0.63 0.00 0.00 39.34 36.78 1rd8 n TYR 157 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1rd8 s ASP 158 N 0.82 6.19 0.07 2.98 2.15 -1.26 -4.96 116.67 122.65 1rd8 s ASP 158 Ca 0.81 -1.35 -0.31 0.00 0.43 0.00 0.00 52.55 52.13 1rd8 s ASP 158 Cb -0.76 -2.30 -0.18 0.00 -0.30 0.00 0.00 42.92 39.37 1rd8 s ASP 158 CO 0.41 -1.09 1.60 0.22 -0.17 0.00 0.00 175.17 176.14 1rd8 h TYR 159 N 9.17 -0.71 -1.00 -5.34 3.20 -1.91 -3.14 116.97 117.25 1rd8 h TYR 159 Ca -0.29 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.70 1rd8 h TYR 159 Cb 1.09 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 39.50 1rd8 h TYR 159 CO 0.83 -0.43 0.62 -1.35 -1.64 0.00 0.00 178.16 176.19 1rd8 h PRO 160 N -0.79 0.88 -0.74 1.82 0.11 -1.96 -0.86 132.00 130.47 1rd8 h PRO 160 Ca -0.08 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 66.15 1rd8 h PRO 160 Cb 0.60 -0.20 -0.13 0.00 0.11 0.00 0.00 31.00 31.38 1rd8 h PRO 160 CO 0.13 0.59 0.03 -0.22 -0.21 0.00 0.00 178.00 178.31 1rd8 h LYS 161 N 0.91 0.12 -0.04 1.05 3.64 -1.98 -2.69 116.57 117.58 1rd8 h LYS 161 Ca 0.51 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1rd8 h LYS 161 Cb 0.62 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1rd8 h LYS 161 CO -0.29 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.63 1rd8 n TYR 162 N -5.31 0.02 0.09 1.91 4.02 -0.43 -4.71 117.16 112.74 1rd8 n TYR 162 Ca 0.13 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.90 57.89 1rd8 n TYR 162 Cb 0.47 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 1rd8 n TYR 162 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1rd8 h SER 163 N 4.36 -0.74 -0.03 7.72 4.64 -0.93 0.79 113.55 129.35 1rd8 h SER 163 Ca 0.00 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1rd8 h SER 163 Cb 0.93 0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1rd8 h SER 163 CO 0.00 -0.34 -0.07 1.05 -0.87 0.00 0.00 176.83 176.61 1rd8 h GLU 164 N -0.43 -0.10 0.17 4.77 9.09 -1.84 0.87 114.58 127.10 1rd8 h GLU 164 Ca 0.05 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.48 1rd8 h GLU 164 Cb 0.48 0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1rd8 h GLU 164 CO -0.18 -0.07 -0.29 1.49 0.05 0.00 0.00 179.01 180.01 1rd8 h GLU 165 N -0.11 -0.51 -0.86 1.06 4.81 -1.83 -2.02 114.58 115.12 1rd8 h GLU 165 Ca 0.04 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1rd8 h GLU 165 Cb 0.16 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1rd8 h GLU 165 CO -0.09 -0.34 0.49 0.77 -0.73 0.00 0.00 179.01 179.10 1rd8 h SER 166 N -0.53 0.66 0.18 1.04 0.02 -0.70 -1.70 113.55 112.51 1rd8 h SER 166 Ca 0.02 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1rd8 h SER 166 Cb 0.54 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1rd8 h SER 166 CO -0.14 0.33 -0.47 0.50 -1.14 0.00 0.00 176.83 175.92 1rd8 h LYS 167 N 0.75 -0.71 0.07 3.45 3.64 0.14 0.02 116.57 123.94 1rd8 h LYS 167 Ca 0.44 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.88 1rd8 h LYS 167 Cb 0.52 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1rd8 h LYS 167 CO -0.30 -0.48 -0.39 -0.07 -2.27 0.00 0.00 179.45 175.95 1rd8 h LEU 168 N -0.74 -1.17 -1.47 5.20 3.38 -0.66 0.07 115.31 119.93 1rd8 h LEU 168 Ca 0.00 0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.28 1rd8 h LEU 168 Cb 0.74 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 1rd8 h LEU 168 CO -0.23 -0.40 0.58 0.78 0.09 0.00 0.00 178.44 179.26 1rd8 h ASN 169 N -0.54 0.45 0.02 -0.43 2.35 -1.27 -2.58 115.58 113.59 1rd8 h ASN 169 Ca -0.00 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1rd8 h ASN 169 Cb 0.55 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1rd8 h ASN 169 CO -0.22 0.20 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.46 1rd8 h ARG 170 N 0.46 0.10 -0.77 0.81 2.43 -0.19 -2.17 114.38 115.05 1rd8 h ARG 170 Ca 0.46 -0.14 0.17 0.00 -0.81 0.00 0.00 59.98 59.66 1rd8 h ARG 170 Cb 1.05 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.51 1rd8 h ARG 170 CO -0.18 0.98 -0.06 0.93 -1.51 0.00 0.00 179.97 180.13 1rd8 h GLU 171 N -0.72 0.06 -1.90 0.20 5.08 -0.67 -1.72 114.58 114.91 1rd8 h GLU 171 Ca -0.03 -0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.70 1rd8 h GLU 171 Cb 1.07 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.91 1rd8 h GLU 171 CO 0.04 0.04 -0.41 -0.85 -1.00 0.00 0.00 179.01 176.83 1rd8 n GLU 172 N -5.41 3.45 0.13 2.33 -0.00 -1.00 -4.33 120.64 115.81 1rd8 n GLU 172 Ca 0.13 -4.57 0.00 0.00 -0.00 0.00 0.00 57.16 52.72 1rd8 n GLU 172 Cb 0.46 -2.26 0.00 0.00 -0.00 0.00 0.00 31.44 29.64 1rd8 n GLU 172 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1rd8 n ILE 173 N -0.37 0.00 -3.87 3.84 2.08 -0.82 -4.90 119.36 115.32 1rd8 n ILE 173 Ca 0.38 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 63.34 1rd8 n ILE 173 Cb 0.49 -0.36 -0.13 0.00 -0.75 0.00 0.00 39.64 38.89 1rd8 n ILE 173 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1rd8 s ASP 174 N -4.17 5.03 0.00 4.38 1.01 -0.68 -5.07 116.67 117.18 1rd8 s ASP 174 Ca 0.00 -1.86 0.00 0.00 0.71 0.00 0.00 52.55 51.40 1rd8 s ASP 174 Cb 0.00 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.18 1rd8 s ASP 174 CO 0.00 -0.43 0.00 0.61 0.21 0.00 0.00 175.17 175.56