#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp0 n GLN 9 N 0.00 -2.11 0.00 1.96 1.13 -1.26 -4.99 117.38 112.11 3dp0 n GLN 9 Ca 0.00 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 3dp0 n GLN 9 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 30.24 30.13 3dp0 n GLN 9 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3dp0 n SER 10 N -3.31 0.08 -4.10 1.08 7.64 -1.26 -4.74 113.62 109.00 3dp0 n SER 10 Ca 0.02 -0.49 -0.32 0.00 1.01 0.00 0.00 58.87 59.09 3dp0 n SER 10 Cb 0.07 0.11 -0.16 0.00 -1.01 0.00 0.00 64.21 63.22 3dp0 n SER 10 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3dp0 s GLN 11 N -0.11 2.80 -0.02 1.43 -1.52 -1.26 -2.60 119.66 118.38 3dp0 s GLN 11 Ca 0.00 -0.76 0.01 0.00 -1.95 0.00 0.00 55.36 52.66 3dp0 s GLN 11 Cb 0.00 -2.42 0.01 0.00 -0.22 0.00 0.00 33.01 30.39 3dp0 s GLN 11 CO 0.00 -0.18 -0.04 -0.06 -0.25 0.00 0.00 175.29 174.76 3dp0 s PHE 12 N 1.26 0.51 0.40 0.91 0.40 -0.53 -5.01 117.98 115.93 3dp0 s PHE 12 Ca 0.03 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.33 3dp0 s PHE 12 Cb -0.13 -0.44 -0.01 0.00 0.51 0.00 0.00 43.02 42.94 3dp0 s PHE 12 CO -0.11 -0.10 0.41 -0.06 0.70 0.00 0.00 175.22 176.07 3dp0 s PHE 13 N 0.51 2.78 0.37 0.36 0.40 -1.26 -0.85 117.98 120.29 3dp0 s PHE 13 Ca -0.06 -0.43 0.20 0.00 -0.60 0.00 0.00 56.93 56.05 3dp0 s PHE 13 Cb -0.09 -2.16 1.31 0.00 0.51 0.00 0.00 43.02 42.59 3dp0 s PHE 13 CO -0.00 -0.14 1.60 0.97 0.70 0.00 0.00 175.22 178.35 3dp0 h ILE 14 N 0.97 0.07 0.00 0.64 6.09 -1.92 0.52 117.51 123.88 3dp0 h ILE 14 Ca -0.42 -0.02 -0.04 0.00 -1.37 0.00 0.00 64.86 63.01 3dp0 h ILE 14 Cb 1.27 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 3dp0 h ILE 14 CO 0.55 0.01 -0.20 1.05 -3.07 0.00 0.00 178.15 176.49 3dp0 h GLU 15 N 0.07 0.00 0.20 2.19 9.09 -1.95 -1.32 114.58 122.87 3dp0 h GLU 15 Ca 0.83 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.90 3dp0 h GLU 15 Cb 2.17 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 29.29 3dp0 h GLU 15 CO -0.71 0.20 -1.58 0.45 0.05 0.00 0.00 179.01 177.43 3dp0 h HIS 16 N 0.00 0.76 -0.38 2.06 3.86 -0.35 -3.25 115.15 117.85 3dp0 h HIS 16 Ca -0.00 -0.56 -0.03 0.00 -1.16 0.00 0.00 60.37 58.62 3dp0 h HIS 16 Cb 0.57 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 3dp0 h HIS 16 CO 0.00 1.56 0.12 0.82 0.86 0.00 0.00 177.93 181.28 3dp0 h ILE 17 N 0.11 1.16 0.00 2.45 2.04 -1.07 -2.37 117.51 119.83 3dp0 h ILE 17 Ca -0.28 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 3dp0 h ILE 17 Cb 2.11 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 3dp0 h ILE 17 CO 0.22 0.20 -0.22 -0.07 0.00 0.00 0.00 178.15 178.28 3dp0 h LEU 18 N 0.54 0.00 0.00 1.44 3.38 -1.31 -0.54 115.31 118.82 3dp0 h LEU 18 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dp0 h LEU 18 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dp0 h LEU 18 CO -0.01 0.22 -0.54 1.56 0.09 0.00 0.00 178.44 179.76 3dp0 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.46 -3.38 115.11 115.59 3dp0 h GLN 19 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 3dp0 h GLN 19 Cb 0.62 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.34 3dp0 h GLN 19 CO 0.03 0.00 -2.28 -0.89 -0.67 0.00 0.00 178.83 175.02 3dp0 n ILE 20 N -2.26 1.27 -3.54 2.54 2.08 -1.07 -4.57 119.36 113.82 3dp0 n ILE 20 Ca 0.03 -0.41 -0.37 0.00 0.56 0.00 0.00 62.75 62.56 3dp0 n ILE 20 Cb 0.46 -1.52 -0.06 0.00 -0.75 0.00 0.00 39.64 37.76 3dp0 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp0 s LEU 21 N -6.73 4.44 0.09 1.39 1.43 -0.23 -4.84 118.68 114.23 3dp0 s LEU 21 Ca -0.31 0.90 0.26 0.00 -1.03 0.00 0.00 54.13 53.95 3dp0 s LEU 21 Cb 0.10 -2.64 0.79 0.00 0.03 0.00 0.00 46.19 44.47 3dp0 s LEU 21 CO 0.46 0.30 1.67 -0.81 0.23 0.00 0.00 176.35 178.20 3dp0 n PRO 22 N 1.63 0.15 -1.72 1.29 -0.04 -1.26 -4.70 135.00 130.35 3dp0 n PRO 22 Ca -0.13 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.03 3dp0 n PRO 22 Cb 0.52 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3dp0 n PRO 22 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3dp0 n HIS 23 N -1.88 2.11 -4.12 0.54 8.25 -1.26 -5.03 115.22 113.83 3dp0 n HIS 23 Ca 0.05 0.45 -0.13 0.00 -0.26 0.00 0.00 57.72 57.84 3dp0 n HIS 23 Cb 0.39 -2.35 -0.07 0.00 1.12 0.00 0.00 29.99 29.09 3dp0 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dp0 s ARG 24 N -2.65 1.59 0.23 -0.41 1.81 -1.26 -4.69 118.95 113.56 3dp0 s ARG 24 Ca 0.68 -1.62 -0.31 0.00 -1.72 0.00 0.00 55.73 52.76 3dp0 s ARG 24 Cb -0.44 0.38 -0.14 0.00 -0.45 0.00 0.00 34.95 34.30 3dp0 s ARG 24 CO 0.52 -0.62 1.23 0.98 -0.68 0.00 0.00 175.30 176.74 3dp0 n TYR 25 N -0.44 1.68 -1.58 -0.53 9.36 -1.26 0.19 117.16 124.58 3dp0 n TYR 25 Ca 0.01 0.58 -0.32 0.00 3.32 0.00 0.00 57.90 61.50 3dp0 n TYR 25 Cb 0.63 -2.35 0.06 0.00 -0.63 0.00 0.00 39.34 37.05 3dp0 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dp0 n PRO 26 N 1.60 2.97 0.00 2.98 -0.04 -1.26 -4.90 135.00 136.35 3dp0 n PRO 26 Ca 0.12 -3.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.00 3dp0 n PRO 26 Cb 0.29 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3dp0 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp0 n MET 27 N -0.83 2.31 -3.07 0.54 2.81 0.13 -4.92 117.12 114.08 3dp0 n MET 27 Ca 0.57 -1.29 -0.44 0.00 -1.81 0.00 0.00 57.70 54.73 3dp0 n MET 27 Cb 0.73 -0.94 -0.05 0.00 -0.71 0.00 0.00 33.22 32.24 3dp0 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp0 s LEU 28 N -0.80 4.91 -0.38 4.03 2.96 -1.05 -4.63 118.68 123.72 3dp0 s LEU 28 Ca 0.00 -0.99 0.06 0.00 -0.22 0.00 0.00 54.13 52.98 3dp0 s LEU 28 Cb 0.00 -2.45 0.53 0.00 0.50 0.00 0.00 46.19 44.77 3dp0 s LEU 28 CO 0.00 -1.05 1.62 0.18 -1.32 0.00 0.00 176.35 175.78 3dp0 n LEU 29 N 6.54 5.33 -3.80 -0.68 4.77 -1.26 -4.90 117.00 122.99 3dp0 n LEU 29 Ca -0.06 -3.94 -0.20 0.00 -0.03 0.00 0.00 56.01 51.78 3dp0 n LEU 29 Cb 0.45 -0.70 -0.17 0.00 -2.33 0.00 0.00 43.42 40.67 3dp0 n LEU 29 CO 0.57 1.35 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.91 3dp0 s VAL 30 N -3.65 0.32 -0.13 4.08 1.01 -1.26 -4.61 120.40 116.16 3dp0 s VAL 30 Ca 0.51 0.08 0.20 0.00 0.00 0.00 0.00 61.98 62.77 3dp0 s VAL 30 Cb 0.44 -0.44 -0.28 0.00 0.00 0.00 0.00 36.38 36.10 3dp0 s VAL 30 CO 0.02 0.21 0.23 0.47 0.00 0.00 0.00 175.10 176.04 3dp0 n ASP 31 N 4.63 0.02 -3.53 3.32 8.00 -0.28 -4.96 116.55 123.75 3dp0 n ASP 31 Ca -0.16 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 3dp0 n ASP 31 Cb 0.50 1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 42.95 3dp0 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dp0 s ARG 32 N -2.90 0.88 -0.24 -1.24 3.52 -1.08 -3.26 118.95 114.64 3dp0 s ARG 32 Ca -0.09 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.59 3dp0 s ARG 32 Cb 0.09 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.93 3dp0 s ARG 32 CO 0.86 -0.30 -0.11 0.42 -0.81 0.00 0.00 175.30 175.36 3dp0 s ILE 33 N -1.66 2.44 -0.10 4.11 1.01 -0.03 -1.66 121.20 125.31 3dp0 s ILE 33 Ca -0.04 -1.23 0.16 0.00 0.00 0.00 0.00 60.65 59.53 3dp0 s ILE 33 Cb -0.00 -2.26 -0.20 0.00 0.01 0.00 0.00 42.46 40.00 3dp0 s ILE 33 CO 0.02 0.19 0.59 0.35 0.00 0.00 0.00 174.94 176.09 3dp0 n THR 34 N 4.57 1.32 -3.83 2.92 -2.24 -0.05 -1.45 114.28 115.54 3dp0 n THR 34 Ca -0.17 -0.75 -0.14 0.00 -2.27 0.00 0.00 64.05 60.72 3dp0 n THR 34 Cb 0.46 -0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 67.78 3dp0 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dp0 s GLU 35 N -2.75 -0.00 -0.13 -0.78 2.02 -0.79 -4.49 118.70 111.77 3dp0 s GLU 35 Ca -0.05 0.10 -0.05 0.00 0.02 0.00 0.00 54.97 54.99 3dp0 s GLU 35 Cb 0.08 -0.15 0.07 0.00 0.10 0.00 0.00 34.13 34.23 3dp0 s GLU 35 CO 0.83 -0.09 0.27 -1.17 0.02 0.00 0.00 175.26 175.11 3dp0 s LEU 36 N 0.58 -0.31 -0.21 1.80 2.96 -1.19 0.17 118.68 122.47 3dp0 s LEU 36 Ca -0.05 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3dp0 s LEU 36 Cb -0.07 0.71 0.05 0.00 0.50 0.00 0.00 46.19 47.39 3dp0 s LEU 36 CO -0.02 -0.24 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.12 3dp0 s GLN 37 N 2.42 1.73 0.16 1.98 2.00 0.72 -4.59 119.66 124.08 3dp0 s GLN 37 Ca 0.01 -0.89 -0.32 0.00 -2.00 0.00 0.00 55.36 52.17 3dp0 s GLN 37 Cb -0.12 -2.46 -0.17 0.00 0.80 0.00 0.00 33.01 31.05 3dp0 s GLN 37 CO -0.09 -0.52 0.82 0.00 -0.50 0.00 0.00 175.29 175.00 3dp0 n ALA 38 N 4.70 -2.37 -0.64 1.58 0.00 -1.26 -1.25 120.51 121.26 3dp0 n ALA 38 Ca -0.13 0.48 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 3dp0 n ALA 38 Cb 0.45 -1.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 3dp0 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp0 n ASN 39 N 1.80 -3.51 0.04 0.00 4.13 -1.26 -4.61 115.26 111.85 3dp0 n ASN 39 Ca 0.17 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.45 3dp0 n ASN 39 Cb 0.22 -2.32 0.00 0.00 -1.54 0.00 0.00 39.78 36.13 3dp0 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dp0 n GLN 40 N 0.42 0.00 -3.91 3.52 6.02 -0.38 -4.71 117.38 118.33 3dp0 n GLN 40 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.90 3dp0 n GLN 40 Cb 0.30 -0.21 -0.03 0.00 1.02 0.00 0.00 30.24 31.32 3dp0 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3dp0 s LYS 41 N -1.55 1.69 -0.10 -1.09 -2.85 -0.47 0.24 119.74 115.61 3dp0 s LYS 41 Ca 0.00 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.77 3dp0 s LYS 41 Cb 0.00 0.55 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 3dp0 s LYS 41 CO 0.00 -0.75 0.31 -1.50 0.10 0.00 0.00 175.35 173.51 3dp0 s ILE 42 N -3.96 0.01 -0.11 3.79 2.07 -0.73 -0.20 121.20 122.08 3dp0 s ILE 42 Ca 0.15 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 3dp0 s ILE 42 Cb -0.04 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.10 3dp0 s ILE 42 CO 0.08 -0.05 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.24 3dp0 s VAL 43 N -0.08 1.36 0.32 4.00 1.01 0.13 -2.11 120.40 125.03 3dp0 s VAL 43 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3dp0 s VAL 43 Cb -0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3dp0 s VAL 43 CO 0.01 0.42 0.38 0.00 0.00 0.00 0.00 175.10 175.91 3dp0 s ALA 44 N 1.14 1.02 0.17 5.51 0.00 -0.50 -0.87 121.76 128.24 3dp0 s ALA 44 Ca -0.04 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.09 3dp0 s ALA 44 Cb -0.14 1.26 0.05 0.00 0.00 0.00 0.00 23.12 24.29 3dp0 s ALA 44 CO -0.03 -0.74 0.54 1.52 0.00 0.00 0.00 175.76 177.05 3dp0 s TYR 45 N -3.36 -0.33 -0.06 0.00 1.13 -0.66 0.17 117.35 114.24 3dp0 s TYR 45 Ca 0.34 0.04 0.01 0.00 -1.41 0.00 0.00 57.07 56.05 3dp0 s TYR 45 Cb 0.01 0.46 0.02 0.00 -1.10 0.00 0.00 41.96 41.35 3dp0 s TYR 45 CO 0.20 -0.86 -0.08 0.21 -2.51 0.00 0.00 175.55 172.51 3dp0 s LYS 46 N -3.81 1.28 0.28 -3.49 2.20 -0.34 -1.13 119.74 114.74 3dp0 s LYS 46 Ca 0.04 -0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.11 3dp0 s LYS 46 Cb -0.01 -1.16 -0.09 0.00 -1.51 0.00 0.00 37.83 35.06 3dp0 s LYS 46 CO -0.09 -0.05 1.04 -0.80 -0.36 0.00 0.00 175.35 175.10 3dp0 s ASN 47 N 0.87 7.33 -0.23 1.43 0.01 -1.26 -1.40 114.94 121.68 3dp0 s ASN 47 Ca -0.11 2.14 -0.05 0.00 -0.71 0.00 0.00 52.86 54.12 3dp0 s ASN 47 Cb -0.15 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.88 3dp0 s ASN 47 CO 0.01 -0.09 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.88 3dp0 s ILE 48 N -1.24 3.69 0.13 0.60 -1.09 -0.28 -4.93 121.20 118.09 3dp0 s ILE 48 Ca 0.45 -0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.54 3dp0 s ILE 48 Cb -0.29 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 3dp0 s ILE 48 CO 0.36 0.38 -0.17 0.28 -1.23 0.00 0.00 174.94 174.57 3dp0 s THR 49 N 1.52 1.57 0.45 2.92 -1.32 -1.26 -0.16 115.64 119.36 3dp0 s THR 49 Ca 0.06 -1.75 0.18 0.00 -1.21 0.00 0.00 61.69 58.97 3dp0 s THR 49 Cb -0.15 -1.64 0.22 0.00 -1.51 0.00 0.00 72.50 69.42 3dp0 s THR 49 CO -0.01 -0.31 2.02 0.15 -2.21 0.00 0.00 174.62 174.26 3dp0 h PHE 50 N 3.53 0.00 0.00 9.09 3.57 -1.96 -3.19 116.94 127.99 3dp0 h PHE 50 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3dp0 h PHE 50 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3dp0 h PHE 50 CO 0.66 0.16 0.00 -1.71 -2.23 0.00 0.00 178.31 175.19 3dp0 n ASN 51 N -4.14 2.97 -4.16 0.41 4.05 -1.26 -4.74 115.26 108.39 3dp0 n ASN 51 Ca -0.02 -1.77 -0.30 0.00 0.45 0.00 0.00 54.58 52.93 3dp0 n ASN 51 Cb 0.23 -0.62 -0.17 0.00 1.23 0.00 0.00 39.78 40.45 3dp0 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dp0 s GLU 52 N 0.86 2.71 0.41 1.20 2.02 -1.21 -5.02 118.70 119.67 3dp0 s GLU 52 Ca 0.00 -0.76 0.21 0.00 0.02 0.00 0.00 54.97 54.44 3dp0 s GLU 52 Cb 0.00 -2.12 1.17 0.00 0.10 0.00 0.00 34.13 33.29 3dp0 s GLU 52 CO 0.00 0.10 1.75 0.22 0.02 0.00 0.00 175.26 177.34 3dp0 h ASP 53 N 6.93 0.40 -0.77 -0.19 -0.00 -1.94 -1.35 116.42 119.50 3dp0 h ASP 53 Ca -0.25 0.09 0.19 0.00 -0.00 0.00 0.00 57.03 57.07 3dp0 h ASP 53 Cb 1.22 0.03 -0.04 0.00 -0.00 0.00 0.00 39.33 40.53 3dp0 h ASP 53 CO 0.49 0.04 0.53 1.62 -0.00 0.00 0.00 179.24 181.91 3dp0 h VAL 54 N 0.33 0.69 0.00 2.25 3.04 -1.95 0.38 116.25 120.98 3dp0 h VAL 54 Ca 0.63 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 66.25 3dp0 h VAL 54 Cb 1.71 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 3dp0 h VAL 54 CO -0.31 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 176.78 3dp0 n PHE 55 N -4.41 0.41 -0.07 3.17 3.01 -0.51 -2.51 117.46 116.55 3dp0 n PHE 55 Ca 0.15 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.76 3dp0 n PHE 55 Cb 0.70 -0.73 0.30 0.00 -0.01 0.00 0.00 39.48 39.74 3dp0 n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3dp0 h ASN 56 N 0.00 0.61 -0.01 4.37 2.35 -1.07 -3.23 115.58 118.60 3dp0 h ASN 56 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3dp0 h ASN 56 Cb 0.45 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3dp0 h ASN 56 CO 0.00 0.56 0.00 0.61 -1.65 0.00 0.00 177.43 176.95 3dp0 n GLY 57 N -1.12 3.88 2.55 2.83 0.00 -1.12 -4.23 105.19 107.98 3dp0 n GLY 57 Ca 0.04 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 3dp0 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp0 n HIS 58 N -0.91 -2.31 -4.28 1.61 -0.00 -1.05 -4.64 115.22 103.64 3dp0 n HIS 58 Ca 0.08 -2.38 -0.15 0.00 -0.00 0.00 0.00 57.72 55.27 3dp0 n HIS 58 Cb 0.44 0.85 -0.10 0.00 -0.00 0.00 0.00 29.99 31.18 3dp0 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp0 s PHE 59 N 0.16 1.37 0.19 1.57 0.08 -0.30 -1.56 117.98 119.49 3dp0 s PHE 59 Ca 0.32 -0.82 -0.33 0.00 0.12 0.00 0.00 56.93 56.23 3dp0 s PHE 59 Cb 0.13 -0.73 -0.14 0.00 -0.57 0.00 0.00 43.02 41.71 3dp0 s PHE 59 CO -0.16 0.04 1.54 -2.30 -0.10 0.00 0.00 175.22 174.24 3dp0 n PRO 60 N -0.28 2.18 -1.06 0.24 -0.02 -1.26 -0.67 135.00 134.14 3dp0 n PRO 60 Ca -0.08 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.16 3dp0 n PRO 60 Cb 0.62 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3dp0 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dp0 n ASN 61 N 3.03 -5.45 -2.74 2.55 5.03 -1.26 -4.81 115.26 111.61 3dp0 n ASN 61 Ca 0.15 0.05 -0.07 0.00 0.87 0.00 0.00 54.58 55.58 3dp0 n ASN 61 Cb 0.30 -3.14 0.05 0.00 -1.02 0.00 0.00 39.78 35.97 3dp0 n ASN 61 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3dp0 n LYS 62 N -0.01 0.67 -1.90 3.52 0.00 0.16 -5.13 118.16 115.48 3dp0 n LYS 62 Ca -0.02 -1.61 -0.43 0.00 0.00 0.00 0.00 58.31 56.26 3dp0 n LYS 62 Cb 0.44 -1.29 -0.03 0.00 0.00 0.00 0.00 35.03 34.14 3dp0 n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3dp0 s PRO 63 N 0.64 3.81 -0.06 1.64 0.04 -1.18 -1.15 135.00 138.74 3dp0 s PRO 63 Ca 0.31 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.41 3dp0 s PRO 63 Cb 0.21 -4.12 0.01 0.00 0.04 0.00 0.00 34.50 30.64 3dp0 s PRO 63 CO -0.21 -1.30 -0.11 0.42 0.04 0.00 0.00 177.00 175.84 3dp0 s ILE 64 N 5.43 1.06 -0.11 0.56 -1.09 -0.60 -4.61 121.20 121.84 3dp0 s ILE 64 Ca 0.81 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 58.50 3dp0 s ILE 64 Cb -0.32 -0.98 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 3dp0 s ILE 64 CO 0.33 0.34 1.32 0.12 -1.23 0.00 0.00 174.94 175.82 3dp0 s PHE 65 N 0.69 2.79 -0.20 3.97 5.36 0.88 -4.55 117.98 126.91 3dp0 s PHE 65 Ca -0.14 0.91 -0.40 0.00 -0.96 0.00 0.00 56.93 56.33 3dp0 s PHE 65 Cb -0.16 -3.56 -0.17 0.00 -0.34 0.00 0.00 43.02 38.79 3dp0 s PHE 65 CO 0.03 -2.01 1.58 -2.30 -1.46 0.00 0.00 175.22 171.06 3dp0 n PRO 66 N 6.31 0.90 -0.34 10.12 -0.02 -1.26 -4.59 135.00 146.11 3dp0 n PRO 66 Ca 0.14 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3dp0 n PRO 66 Cb 0.45 -1.96 0.21 0.00 -0.02 0.00 0.00 33.50 32.18 3dp0 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp0 h GLY 67 N 5.94 1.51 2.00 -1.23 0.00 -1.99 0.49 103.07 109.79 3dp0 h GLY 67 Ca -0.47 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 3dp0 h GLY 67 CO 0.90 0.16 -0.10 -0.39 0.00 0.00 0.00 176.54 177.11 3dp0 h VAL 68 N 0.94 0.96 0.00 4.60 -1.51 -2.00 -1.26 116.25 117.98 3dp0 h VAL 68 Ca 0.46 -0.35 -0.09 0.00 -1.23 0.00 0.00 66.70 65.49 3dp0 h VAL 68 Cb 0.42 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 3dp0 h VAL 68 CO -0.25 0.10 -0.41 -0.07 -1.23 0.00 0.00 177.57 175.71 3dp0 h LEU 69 N 0.00 0.00 -0.33 4.19 3.38 -1.27 -1.78 115.31 119.50 3dp0 h LEU 69 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3dp0 h LEU 69 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dp0 h LEU 69 CO 0.01 0.41 -0.10 0.40 0.09 0.00 0.00 178.44 179.25 3dp0 h ILE 70 N 0.00 1.28 -0.24 1.22 2.04 -0.77 -1.04 117.51 120.01 3dp0 h ILE 70 Ca -0.00 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.69 3dp0 h ILE 70 Cb 1.10 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3dp0 h ILE 70 CO 0.05 0.38 0.13 0.58 0.00 0.00 0.00 178.15 179.29 3dp0 h VAL 71 N 0.43 1.01 -0.70 1.67 2.07 -1.28 -0.82 116.25 118.64 3dp0 h VAL 71 Ca 0.08 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3dp0 h VAL 71 Cb 0.61 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3dp0 h VAL 71 CO 0.04 0.05 0.38 -0.08 0.02 0.00 0.00 177.57 177.97 3dp0 h GLU 72 N 0.27 0.65 -0.33 1.57 4.57 -1.12 0.10 114.58 120.29 3dp0 h GLU 72 Ca 0.09 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3dp0 h GLU 72 Cb 0.01 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3dp0 h GLU 72 CO -0.05 0.43 -0.04 0.78 -1.18 0.00 0.00 179.01 178.96 3dp0 h GLY 73 N 0.67 0.57 1.02 1.92 0.00 -0.68 -0.52 103.07 106.05 3dp0 h GLY 73 Ca 0.33 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3dp0 h GLY 73 CO -0.22 0.33 -0.28 -0.33 0.00 0.00 0.00 176.54 176.04 3dp0 h MET 74 N 0.50 0.80 -0.59 4.80 2.86 0.34 -2.60 114.93 121.03 3dp0 h MET 74 Ca 0.10 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 3dp0 h MET 74 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3dp0 h MET 74 CO 0.02 1.03 0.17 0.00 1.06 0.00 0.00 176.91 179.18 3dp0 h ALA 75 N 0.75 0.78 -0.85 6.32 0.00 -0.48 -0.89 119.26 124.90 3dp0 h ALA 75 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3dp0 h ALA 75 Cb 0.86 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3dp0 h ALA 75 CO 0.07 0.47 0.41 1.96 0.00 0.00 0.00 179.25 182.16 3dp0 h GLN 76 N 0.85 1.21 0.43 0.00 4.20 -1.08 0.43 115.11 121.15 3dp0 h GLN 76 Ca 0.19 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3dp0 h GLN 76 Cb 0.32 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3dp0 h GLN 76 CO -0.00 0.92 -0.20 0.77 -0.67 0.00 0.00 178.83 179.65 3dp0 h SER 77 N 1.20 -0.48 -0.85 1.46 0.02 -1.20 0.50 113.55 114.20 3dp0 h SER 77 Ca 0.29 -0.04 0.14 0.00 -0.84 0.00 0.00 61.79 61.35 3dp0 h SER 77 Cb 0.11 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 3dp0 h SER 77 CO -0.04 -0.27 0.55 1.23 -1.14 0.00 0.00 176.83 177.16 3dp0 h GLY 78 N -0.67 1.05 1.05 -3.77 0.00 -0.76 0.13 103.07 100.10 3dp0 h GLY 78 Ca -0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3dp0 h GLY 78 CO 0.10 0.09 0.02 -1.33 0.00 0.00 0.00 176.54 175.41 3dp0 h GLY 79 N 0.62 1.07 1.00 4.60 0.00 0.53 0.50 103.07 111.38 3dp0 h GLY 79 Ca 0.42 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3dp0 h GLY 79 CO -0.18 0.71 0.17 -2.75 0.00 0.00 0.00 176.54 174.50 3dp0 h PHE 80 N 0.87 0.91 -0.42 5.60 3.57 0.46 -1.44 116.94 126.49 3dp0 h PHE 80 Ca 0.16 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dp0 h PHE 80 Cb 0.52 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3dp0 h PHE 80 CO 0.04 0.77 0.28 1.25 -2.23 0.00 0.00 178.31 178.42 3dp0 h LEU 81 N 0.79 0.49 0.50 0.59 5.85 -0.72 -2.01 115.31 120.80 3dp0 h LEU 81 Ca 0.18 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3dp0 h LEU 81 Cb 0.29 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3dp0 h LEU 81 CO -0.01 0.36 -0.33 0.00 -0.34 0.00 0.00 178.44 178.13 3dp0 h ALA 82 N 1.15 -1.13 -0.21 1.25 0.00 -0.57 -0.80 119.26 118.95 3dp0 h ALA 82 Ca 0.15 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3dp0 h ALA 82 Cb -0.06 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3dp0 h ALA 82 CO -0.03 -1.11 -0.42 0.35 0.00 0.00 0.00 179.25 178.04 3dp0 h PHE 83 N -0.78 -1.20 0.00 0.00 3.57 -1.24 -2.16 116.94 115.13 3dp0 h PHE 83 Ca -0.07 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3dp0 h PHE 83 Cb 0.63 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3dp0 h PHE 83 CO -0.05 -0.46 -0.13 1.79 -2.23 0.00 0.00 178.31 177.22 3dp0 h THR 84 N -0.44 0.95 0.00 4.41 1.35 -1.38 -0.29 112.91 117.50 3dp0 h THR 84 Ca 0.09 -0.47 -0.04 0.00 -0.55 0.00 0.00 66.41 65.44 3dp0 h THR 84 Cb 0.61 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3dp0 h THR 84 CO -0.45 0.13 -0.20 0.28 -0.25 0.00 0.00 175.52 175.03 3dp0 h SER 85 N 0.00 0.00 0.17 5.36 0.02 -0.47 0.67 113.55 119.30 3dp0 h SER 85 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 3dp0 h SER 85 Cb 0.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3dp0 h SER 85 CO 0.02 0.20 -2.12 0.18 -1.14 0.00 0.00 176.83 173.97 3dp0 n LEU 86 N -4.08 1.57 0.00 5.07 4.77 -0.48 -4.69 117.00 119.17 3dp0 n LEU 86 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3dp0 n LEU 86 Cb 0.28 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3dp0 n LEU 86 CO 0.35 0.66 0.08 0.79 -1.33 0.00 0.00 177.39 177.94 3dp0 n TRP 87 N -3.13 0.00 -4.28 -1.77 8.01 -0.24 -5.13 117.44 110.90 3dp0 n TRP 87 Ca -0.31 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.88 3dp0 n TRP 87 Cb 1.06 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.36 3dp0 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp0 n GLY 88 N 0.45 -1.47 3.58 6.99 0.00 0.23 -4.18 105.19 110.78 3dp0 n GLY 88 Ca 0.00 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 3dp0 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp0 s PHE 89 N 0.00 2.61 -0.68 1.61 5.36 -1.26 -4.43 117.98 121.19 3dp0 s PHE 89 Ca 0.00 -1.17 0.02 0.00 -0.96 0.00 0.00 56.93 54.82 3dp0 s PHE 89 Cb 0.00 -4.64 0.17 0.00 -0.34 0.00 0.00 43.02 38.21 3dp0 s PHE 89 CO 0.00 -1.75 0.48 0.34 -1.46 0.00 0.00 175.22 172.82 3dp0 s ASP 90 N 4.74 4.95 0.29 6.13 -1.08 -1.26 -4.96 116.67 125.49 3dp0 s ASP 90 Ca 0.55 -3.48 0.02 0.00 -0.52 0.00 0.00 52.55 49.12 3dp0 s ASP 90 Cb 0.02 -1.72 0.57 0.00 -1.46 0.00 0.00 42.92 40.33 3dp0 s ASP 90 CO 0.05 -0.18 1.86 -0.65 0.52 0.00 0.00 175.17 176.77 3dp0 h PRO 91 N 6.02 0.96 -0.90 4.34 0.11 -1.89 -0.94 132.00 139.70 3dp0 h PRO 91 Ca 0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3dp0 h PRO 91 Cb 0.83 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 3dp0 h PRO 91 CO 0.73 0.63 0.56 0.93 -0.21 0.00 0.00 178.00 180.65 3dp0 h GLU 92 N 0.99 1.22 0.07 1.05 5.08 -1.93 -2.42 114.58 118.63 3dp0 h GLU 92 Ca 0.47 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.50 3dp0 h GLU 92 Cb 0.43 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.44 3dp0 h GLU 92 CO -0.23 0.84 -0.91 0.82 -1.00 0.00 0.00 179.01 178.53 3dp0 h ILE 93 N 1.24 1.38 -0.98 3.13 2.04 -1.83 -3.25 117.51 119.23 3dp0 h ILE 93 Ca 0.33 -2.31 0.24 0.00 1.00 0.00 0.00 64.86 64.11 3dp0 h ILE 93 Cb -0.08 2.72 -0.08 0.00 -0.74 0.00 0.00 36.82 38.64 3dp0 h ILE 93 CO -0.06 0.68 0.64 0.00 0.00 0.00 0.00 178.15 179.41 3dp0 h ALA 94 N 0.27 2.22 0.00 1.87 0.00 -1.01 0.40 119.26 123.02 3dp0 h ALA 94 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dp0 h ALA 94 Cb 1.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3dp0 h ALA 94 CO 0.18 -0.57 0.00 1.17 0.00 0.00 0.00 179.25 180.03 3dp0 n LYS 95 N -4.56 0.02 -0.00 0.00 4.81 -0.93 -2.07 118.16 115.43 3dp0 n LYS 95 Ca 0.22 0.37 0.05 0.00 -0.87 0.00 0.00 58.31 58.08 3dp0 n LYS 95 Cb 0.79 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.28 3dp0 n LYS 95 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3dp0 n THR 96 N -1.45 0.00 -3.78 3.15 -2.24 0.14 -4.97 114.28 105.13 3dp0 n THR 96 Ca 0.02 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.33 3dp0 n THR 96 Cb 0.06 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3dp0 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp0 s LYS 97 N -2.19 2.74 -0.23 -0.78 -0.14 -0.88 -1.14 119.74 117.12 3dp0 s LYS 97 Ca 0.01 -1.29 -0.15 0.00 -1.36 0.00 0.00 55.97 53.19 3dp0 s LYS 97 Cb 0.07 -2.50 0.07 0.00 -1.68 0.00 0.00 37.83 33.79 3dp0 s LYS 97 CO 0.40 0.08 0.58 -1.50 -0.76 0.00 0.00 175.35 174.15 3dp0 s ILE 98 N -2.30 -0.01 -0.08 2.17 -1.16 -0.14 -4.75 121.20 114.93 3dp0 s ILE 98 Ca 0.42 0.03 -0.15 0.00 -0.51 0.00 0.00 60.65 60.44 3dp0 s ILE 98 Cb -0.06 -0.84 -0.05 0.00 0.61 0.00 0.00 42.46 42.12 3dp0 s ILE 98 CO 0.27 0.01 0.37 -0.69 -2.81 0.00 0.00 174.94 172.09 3dp0 s VAL 99 N 1.31 5.18 0.04 4.00 1.01 -1.26 -0.23 120.40 130.45 3dp0 s VAL 99 Ca -0.08 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.71 3dp0 s VAL 99 Cb -0.06 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3dp0 s VAL 99 CO -0.14 0.48 -0.23 -0.31 0.00 0.00 0.00 175.10 174.90 3dp0 s TYR 100 N -0.29 2.03 0.28 5.22 2.02 0.12 -4.93 117.35 121.80 3dp0 s TYR 100 Ca 0.21 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 3dp0 s TYR 100 Cb -0.15 -1.22 -0.10 0.00 -0.40 0.00 0.00 41.96 40.10 3dp0 s TYR 100 CO 0.09 0.11 1.20 -0.06 -1.57 0.00 0.00 175.55 175.32 3dp0 s PHE 101 N -0.80 3.35 -0.10 2.71 2.99 -1.26 -0.71 117.98 124.16 3dp0 s PHE 101 Ca 0.09 1.53 -0.05 0.00 0.00 0.00 0.00 56.93 58.51 3dp0 s PHE 101 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 43.02 39.42 3dp0 s PHE 101 CO 0.02 -1.19 -0.12 -1.33 -0.00 0.00 0.00 175.22 172.59 3dp0 n MET 102 N 1.30 0.21 -4.04 0.44 2.81 -0.06 -4.88 117.12 112.90 3dp0 n MET 102 Ca 0.00 0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.89 3dp0 n MET 102 Cb 0.43 -0.86 -0.08 0.00 -0.71 0.00 0.00 33.22 32.00 3dp0 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dp0 s THR 103 N -2.18 0.10 -0.08 2.03 -4.23 -1.11 -5.00 115.64 105.16 3dp0 s THR 103 Ca -0.14 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3dp0 s THR 103 Cb 0.05 -1.88 0.04 0.00 1.34 0.00 0.00 72.50 72.05 3dp0 s THR 103 CO 0.17 -0.44 0.20 -0.63 -0.54 0.00 0.00 174.62 173.39 3dp0 s ILE 104 N -3.99 -0.03 0.19 2.99 1.01 -1.26 -2.10 121.20 118.01 3dp0 s ILE 104 Ca 0.19 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 3dp0 s ILE 104 Cb 0.05 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 3dp0 s ILE 104 CO -0.01 0.05 0.20 -1.81 0.00 0.00 0.00 174.94 173.37 3dp0 s ASP 105 N 0.91 0.12 -1.76 3.58 1.11 0.09 -4.92 116.67 115.80 3dp0 s ASP 105 Ca -0.07 -1.22 -0.19 0.00 0.18 0.00 0.00 52.55 51.26 3dp0 s ASP 105 Cb -0.08 0.41 0.18 0.00 1.07 0.00 0.00 42.92 44.50 3dp0 s ASP 105 CO -0.05 -0.89 0.64 0.29 1.18 0.00 0.00 175.17 176.34 3dp0 n LYS 106 N -0.26 -1.97 -2.86 8.23 5.02 -1.26 -1.97 118.16 123.09 3dp0 n LYS 106 Ca -0.01 0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 56.13 3dp0 n LYS 106 Cb 0.65 -4.81 -0.04 0.00 -0.02 0.00 0.00 35.03 30.80 3dp0 n LYS 106 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dp0 s VAL 107 N -3.38 4.69 -0.09 -0.18 1.01 -1.26 -4.05 120.40 117.14 3dp0 s VAL 107 Ca 0.70 1.83 -0.04 0.00 0.00 0.00 0.00 61.98 64.47 3dp0 s VAL 107 Cb -0.40 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 31.82 3dp0 s VAL 107 CO 0.98 0.31 0.20 -0.75 0.00 0.00 0.00 175.10 175.84 3dp0 s LYS 108 N 0.17 0.11 -0.22 2.72 2.20 -0.55 -4.98 119.74 119.19 3dp0 s LYS 108 Ca 0.43 0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 56.46 3dp0 s LYS 108 Cb -0.21 -0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 35.90 3dp0 s LYS 108 CO 0.26 -0.23 0.25 -0.06 -0.36 0.00 0.00 175.35 175.21 3dp0 s PHE 109 N 1.76 3.34 -0.14 4.03 0.40 -1.26 -1.33 117.98 124.78 3dp0 s PHE 109 Ca -0.04 0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.72 3dp0 s PHE 109 Cb -0.11 -2.37 -0.11 0.00 0.51 0.00 0.00 43.02 40.94 3dp0 s PHE 109 CO -0.07 0.05 -0.08 0.54 0.70 0.00 0.00 175.22 176.35 3dp0 n ARG 110 N 4.32 0.87 -4.03 0.44 1.74 -0.20 -4.97 116.66 114.82 3dp0 n ARG 110 Ca -0.12 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.87 3dp0 n ARG 110 Cb 0.52 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.50 3dp0 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp0 s ILE 111 N -2.30 0.25 0.32 0.55 1.01 -1.15 -5.02 121.20 114.86 3dp0 s ILE 111 Ca -0.16 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3dp0 s ILE 111 Cb 0.05 -0.24 -0.10 0.00 0.01 0.00 0.00 42.46 42.18 3dp0 s ILE 111 CO 0.39 0.09 1.23 -2.16 0.00 0.00 0.00 174.94 174.49 3dp0 s PRO 112 N 0.17 4.41 -0.15 2.79 0.04 -1.26 -4.81 135.00 136.19 3dp0 s PRO 112 Ca -0.01 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 3dp0 s PRO 112 Cb -0.04 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 3dp0 s PRO 112 CO -0.00 -0.08 0.24 0.08 0.04 0.00 0.00 177.00 177.28 3dp0 s VAL 113 N -1.17 5.34 0.19 -0.36 1.01 -1.26 -5.01 120.40 119.14 3dp0 s VAL 113 Ca 0.48 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.91 3dp0 s VAL 113 Cb -0.36 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3dp0 s VAL 113 CO 0.48 0.46 0.06 0.42 0.00 0.00 0.00 175.10 176.52 3dp0 s THR 114 N 0.06 0.41 0.26 3.92 -4.23 -1.26 -0.08 115.64 114.72 3dp0 s THR 114 Ca 0.15 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3dp0 s THR 114 Cb -0.13 -2.32 -0.14 0.00 1.34 0.00 0.00 72.50 71.26 3dp0 s THR 114 CO 0.03 -0.25 1.20 -2.65 -0.54 0.00 0.00 174.62 172.41 3dp0 n PRO 115 N -0.28 1.66 0.00 3.99 -0.02 -1.26 -1.61 135.00 137.48 3dp0 n PRO 115 Ca -0.03 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3dp0 n PRO 115 Cb 0.65 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3dp0 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp0 n GLY 116 N 1.54 2.33 3.81 -1.23 0.00 0.77 -4.94 105.19 107.47 3dp0 n GLY 116 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3dp0 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp0 s ASP 117 N -1.43 7.03 -0.39 1.61 -0.00 -0.63 -4.90 116.67 117.96 3dp0 s ASP 117 Ca 0.00 1.65 -0.08 0.00 -0.00 0.00 0.00 52.55 54.12 3dp0 s ASP 117 Cb 0.00 -2.52 0.06 0.00 -0.00 0.00 0.00 42.92 40.46 3dp0 s ASP 117 CO 0.00 -0.24 0.20 -0.60 -0.00 0.00 0.00 175.17 174.53 3dp0 s ARG 118 N -2.78 2.59 -0.73 8.23 3.52 -1.26 -1.12 118.95 127.40 3dp0 s ARG 118 Ca 0.57 -1.35 -0.23 0.00 -0.13 0.00 0.00 55.73 54.59 3dp0 s ARG 118 Cb -0.12 -3.66 0.07 0.00 -1.56 0.00 0.00 34.95 29.69 3dp0 s ARG 118 CO 0.17 -0.84 1.06 -1.17 -0.81 0.00 0.00 175.30 173.71 3dp0 s LEU 119 N 1.41 4.28 -0.19 -0.88 2.96 -0.50 -4.34 118.68 121.43 3dp0 s LEU 119 Ca 0.02 -1.11 -0.24 0.00 -0.22 0.00 0.00 54.13 52.58 3dp0 s LEU 119 Cb -0.21 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 3dp0 s LEU 119 CO 0.02 -1.44 0.76 -0.70 -1.32 0.00 0.00 176.35 173.67 3dp0 s GLU 120 N 4.12 4.25 -0.16 1.98 2.12 0.13 -1.20 118.70 129.95 3dp0 s GLU 120 Ca 0.27 0.86 -0.14 0.00 0.36 0.00 0.00 54.97 56.32 3dp0 s GLU 120 Cb -0.13 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 3dp0 s GLU 120 CO 0.07 -0.31 0.32 0.71 -0.54 0.00 0.00 175.26 175.50 3dp0 s TYR 121 N 2.13 3.45 -0.31 5.30 4.12 0.46 0.62 117.35 133.12 3dp0 s TYR 121 Ca 0.34 0.62 0.02 0.00 0.02 0.00 0.00 57.07 58.08 3dp0 s TYR 121 Cb -0.16 -2.38 0.09 0.00 -1.52 0.00 0.00 41.96 37.99 3dp0 s TYR 121 CO 0.11 0.20 0.04 -1.01 0.02 0.00 0.00 175.55 174.91 3dp0 s HIS 122 N 0.59 2.87 -0.04 2.71 3.76 0.07 -1.41 115.29 123.83 3dp0 s HIS 122 Ca 0.18 -2.38 0.05 0.00 -0.15 0.00 0.00 55.06 52.76 3dp0 s HIS 122 Cb -0.13 -2.29 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 3dp0 s HIS 122 CO 0.05 -0.90 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.35 3dp0 s LEU 123 N 1.22 2.51 0.07 0.89 2.01 -0.89 -1.13 118.68 123.36 3dp0 s LEU 123 Ca 0.07 -0.29 0.08 0.00 0.01 0.00 0.00 54.13 54.01 3dp0 s LEU 123 Cb -0.18 -1.48 -0.03 0.00 0.01 0.00 0.00 46.19 44.50 3dp0 s LEU 123 CO -0.13 0.33 -0.23 -1.61 1.01 0.00 0.00 176.35 175.73 3dp0 s GLU 124 N -0.68 1.39 -0.55 1.70 0.41 0.10 -1.77 118.70 119.31 3dp0 s GLU 124 Ca 0.11 -1.09 -0.27 0.00 -0.41 0.00 0.00 54.97 53.31 3dp0 s GLU 124 Cb -0.11 -1.61 0.03 0.00 -1.78 0.00 0.00 34.13 30.66 3dp0 s GLU 124 CO 0.00 0.40 1.10 0.08 -0.49 0.00 0.00 175.26 176.35 3dp0 s VAL 125 N -0.93 4.18 0.09 2.63 1.01 0.14 -1.26 120.40 126.25 3dp0 s VAL 125 Ca 0.09 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.93 3dp0 s VAL 125 Cb -0.09 -4.64 -0.16 0.00 0.00 0.00 0.00 36.38 31.48 3dp0 s VAL 125 CO 0.03 -1.20 1.32 -0.07 0.00 0.00 0.00 175.10 175.18 3dp0 h LEU 126 N 11.47 0.00 -7.00 3.92 3.38 -0.64 -3.47 115.31 122.96 3dp0 h LEU 126 Ca -0.25 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.88 3dp0 h LEU 126 Cb 1.06 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.54 3dp0 h LEU 126 CO 1.14 0.91 0.75 -0.75 0.09 0.00 0.00 178.44 180.58 3dp0 s LYS 127 N -2.79 0.29 -0.23 1.13 2.20 -0.90 -4.98 119.74 114.47 3dp0 s LYS 127 Ca 0.01 0.14 -0.14 0.00 -0.36 0.00 0.00 55.97 55.62 3dp0 s LYS 127 Cb 0.10 0.14 0.07 0.00 -1.51 0.00 0.00 37.83 36.62 3dp0 s LYS 127 CO 0.81 -0.08 0.56 -3.38 -0.36 0.00 0.00 175.35 172.90 3dp0 s HIS 128 N -0.70 -0.81 -0.23 4.03 -3.43 -1.26 -0.58 115.29 112.30 3dp0 s HIS 128 Ca 0.04 1.71 -0.03 0.00 -0.80 0.00 0.00 55.06 55.98 3dp0 s HIS 128 Cb -0.02 0.42 0.10 0.00 -1.43 0.00 0.00 32.58 31.65 3dp0 s HIS 128 CO -0.06 -0.42 0.21 0.21 -2.00 0.00 0.00 174.74 172.68 3dp0 s LYS 129 N 1.30 0.21 7.28 -0.38 2.36 -0.75 -5.04 119.74 124.72 3dp0 s LYS 129 Ca -0.08 -0.01 0.00 0.00 -2.55 0.00 0.00 55.97 53.33 3dp0 s LYS 129 Cb -0.06 -1.14 0.00 0.00 -1.05 0.00 0.00 37.83 35.58 3dp0 s LYS 129 CO -0.13 -0.79 0.00 0.41 1.55 0.00 0.00 175.35 176.38 3dp0 n GLY 130 N 5.30 2.45 0.03 5.54 0.00 -1.26 -2.32 105.19 114.93 3dp0 n GLY 130 Ca -0.05 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.80 3dp0 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp0 n MET 131 N 13.30 0.48 -3.49 1.61 2.81 -1.26 -4.79 117.12 125.78 3dp0 n MET 131 Ca 0.00 -0.07 -0.38 0.00 -1.81 0.00 0.00 57.70 55.44 3dp0 n MET 131 Cb 0.00 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 30.92 3dp0 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp0 s ILE 132 N -2.56 5.25 -0.01 2.02 -1.09 -0.98 -1.48 121.20 122.34 3dp0 s ILE 132 Ca 0.28 0.43 0.05 0.00 -2.23 0.00 0.00 60.65 59.17 3dp0 s ILE 132 Cb 0.20 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 3dp0 s ILE 132 CO 0.47 0.23 -0.16 0.26 -1.23 0.00 0.00 174.94 174.52 3dp0 s TRP 133 N 1.66 1.45 -0.21 3.97 0.52 -0.72 -1.80 118.94 123.80 3dp0 s TRP 133 Ca 0.12 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 55.98 3dp0 s TRP 133 Cb -0.15 -0.93 0.04 0.00 -1.15 0.00 0.00 33.47 31.27 3dp0 s TRP 133 CO 0.09 -0.03 -0.14 -0.65 0.02 0.00 0.00 176.95 176.23 3dp0 s GLN 134 N -0.35 2.44 0.29 4.98 -0.21 0.25 0.72 119.66 127.78 3dp0 s GLN 134 Ca 0.06 -0.96 0.11 0.00 0.02 0.00 0.00 55.36 54.58 3dp0 s GLN 134 Cb -0.06 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.31 3dp0 s GLN 134 CO -0.00 -0.38 -0.10 0.14 -2.12 0.00 0.00 175.29 172.83 3dp0 s VAL 135 N 1.28 2.74 0.04 1.09 -7.23 0.04 0.12 120.40 118.48 3dp0 s VAL 135 Ca -0.01 -2.18 -0.17 0.00 -1.81 0.00 0.00 61.98 57.81 3dp0 s VAL 135 Cb -0.16 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.24 3dp0 s VAL 135 CO -0.09 -0.34 0.38 -0.83 -0.31 0.00 0.00 175.10 173.91 3dp0 s GLY 136 N -3.60 -0.22 0.00 2.32 0.00 -0.39 -0.97 107.32 104.46 3dp0 s GLY 136 Ca 0.31 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3dp0 s GLY 136 CO 0.17 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.88 3dp0 n GLY 137 N 0.59 -0.55 3.21 0.20 0.00 -0.53 0.01 105.19 108.12 3dp0 n GLY 137 Ca -0.19 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 3dp0 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp0 s THR 138 N -3.15 0.44 -0.15 2.61 -4.23 -0.28 -1.69 115.64 109.18 3dp0 s THR 138 Ca 0.00 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3dp0 s THR 138 Cb 0.00 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 3dp0 s THR 138 CO 0.00 -0.44 -0.14 0.00 -0.54 0.00 0.00 174.62 173.51 3dp0 s ALA 139 N -3.82 2.56 0.18 3.99 0.00 0.95 -0.75 121.76 124.87 3dp0 s ALA 139 Ca 0.25 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.29 3dp0 s ALA 139 Cb 0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3dp0 s ALA 139 CO 0.04 0.02 -0.19 -0.65 0.00 0.00 0.00 175.76 174.98 3dp0 s GLN 140 N 0.73 1.32 -0.14 0.00 -0.21 0.20 -0.34 119.66 121.22 3dp0 s GLN 140 Ca -0.06 -1.45 -0.04 0.00 0.02 0.00 0.00 55.36 53.83 3dp0 s GLN 140 Cb -0.15 -1.38 0.05 0.00 1.00 0.00 0.00 33.01 32.53 3dp0 s GLN 140 CO 0.01 0.28 0.07 0.08 -2.12 0.00 0.00 175.29 173.61 3dp0 s VAL 141 N -2.12 0.02 -1.26 1.09 1.01 -0.50 0.19 120.40 118.83 3dp0 s VAL 141 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3dp0 s VAL 141 Cb -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 3dp0 s VAL 141 CO 0.07 -0.16 0.70 -0.67 0.00 0.00 0.00 175.10 175.05 3dp0 n ASP 142 N 5.24 -2.40 0.00 3.32 2.03 -1.26 -2.20 116.55 121.28 3dp0 n ASP 142 Ca -0.07 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.37 3dp0 n ASP 142 Cb 0.49 -3.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.99 3dp0 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dp0 n GLY 143 N -1.61 2.34 3.82 0.27 0.00 -1.26 -4.98 105.19 103.76 3dp0 n GLY 143 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3dp0 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp0 s LYS 144 N 0.00 4.08 -0.18 1.61 1.02 -0.94 -5.05 119.74 120.28 3dp0 s LYS 144 Ca 0.00 0.60 -0.28 0.00 0.02 0.00 0.00 55.97 56.31 3dp0 s LYS 144 Cb 0.00 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3dp0 s LYS 144 CO 0.00 0.64 0.98 0.08 -0.92 0.00 0.00 175.35 176.14 3dp0 s VAL 145 N -1.14 4.75 -0.62 3.17 1.01 -1.26 -1.41 120.40 124.90 3dp0 s VAL 145 Ca 0.28 1.94 0.13 0.00 0.00 0.00 0.00 61.98 64.34 3dp0 s VAL 145 Cb -0.18 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 3dp0 s VAL 145 CO 0.17 -0.09 0.57 1.33 0.00 0.00 0.00 175.10 177.08 3dp0 n VAL 146 N 5.00 0.00 -3.58 2.92 0.24 0.53 -4.50 118.33 118.94 3dp0 n VAL 146 Ca 0.09 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 3dp0 n VAL 146 Cb 0.47 0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 33.78 3dp0 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dp0 s ALA 147 N -2.29 -1.95 0.06 2.33 0.00 -1.04 -1.03 121.76 117.83 3dp0 s ALA 147 Ca 0.05 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.62 3dp0 s ALA 147 Cb 0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3dp0 s ALA 147 CO 0.55 -0.34 -0.11 -1.21 0.00 0.00 0.00 175.76 174.65 3dp0 s GLU 148 N -1.32 0.68 -0.07 0.00 2.02 -0.44 -0.04 118.70 119.54 3dp0 s GLU 148 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 3dp0 s GLU 148 Cb -0.01 -0.57 0.11 0.00 0.10 0.00 0.00 34.13 33.77 3dp0 s GLU 148 CO -0.00 0.12 0.98 0.00 0.02 0.00 0.00 175.26 176.37 3dp0 s ALA 149 N -1.35 -1.90 -0.02 5.21 0.00 -0.68 -1.48 121.76 121.54 3dp0 s ALA 149 Ca -0.06 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.18 3dp0 s ALA 149 Cb -0.10 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 3dp0 s ALA 149 CO 0.01 -0.60 -0.12 -1.21 0.00 0.00 0.00 175.76 173.84 3dp0 s GLU 150 N -2.62 1.12 0.03 0.00 2.02 -0.83 -1.46 118.70 116.96 3dp0 s GLU 150 Ca 0.05 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.62 3dp0 s GLU 150 Cb -0.01 -1.05 -0.02 0.00 0.10 0.00 0.00 34.13 33.15 3dp0 s GLU 150 CO -0.06 0.21 -0.05 -0.51 0.02 0.00 0.00 175.26 174.87 3dp0 s LEU 151 N -0.07 2.26 -0.18 1.80 1.43 -0.14 -0.73 118.68 123.06 3dp0 s LEU 151 Ca 0.01 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3dp0 s LEU 151 Cb -0.07 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.15 3dp0 s LEU 151 CO 0.00 -0.27 -0.19 -0.75 0.23 0.00 0.00 176.35 175.37 3dp0 s LYS 152 N -1.67 3.02 0.32 1.70 2.20 -0.89 -0.78 119.74 123.63 3dp0 s LYS 152 Ca -0.12 -0.82 0.09 0.00 -0.36 0.00 0.00 55.97 54.76 3dp0 s LYS 152 Cb -0.09 -2.57 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 3dp0 s LYS 152 CO -0.01 -0.18 0.06 0.00 -0.36 0.00 0.00 175.35 174.87 3dp0 s ALA 153 N 1.22 3.31 -0.05 3.13 0.00 0.22 -0.88 121.76 128.71 3dp0 s ALA 153 Ca 0.03 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.19 3dp0 s ALA 153 Cb -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3dp0 s ALA 153 CO -0.11 0.11 -0.09 1.41 0.00 0.00 0.00 175.76 177.09 3dp0 s MET 154 N -3.76 1.20 -0.40 0.00 0.00 0.12 -1.75 119.30 114.71 3dp0 s MET 154 Ca 0.35 -0.27 -0.17 0.00 0.00 0.00 0.00 55.69 55.59 3dp0 s MET 154 Cb -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 34.83 33.74 3dp0 s MET 154 CO 0.21 0.01 0.45 0.42 0.00 0.00 0.00 175.02 176.10 3dp0 s ILE 155 N 0.64 5.07 0.43 10.11 1.01 -0.55 0.13 121.20 138.05 3dp0 s ILE 155 Ca -0.11 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.41 3dp0 s ILE 155 Cb -0.14 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 3dp0 s ILE 155 CO 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 174.94 174.63 3dp0 s ALA 156 N 2.19 3.45 0.59 9.38 0.00 0.68 -4.85 121.76 133.20 3dp0 s ALA 156 Ca 0.13 -1.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.07 3dp0 s ALA 156 Cb -0.17 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 3dp0 s ALA 156 CO 0.14 -0.11 1.06 -1.21 0.00 0.00 0.00 175.76 175.64 3dp0 s GLU 157 N -3.78 3.31 -0.03 0.00 0.41 -1.26 -0.97 118.70 116.38 3dp0 s GLU 157 Ca 0.30 1.24 0.21 0.00 -0.41 0.00 0.00 54.97 56.31 3dp0 s GLU 157 Cb 0.07 -2.03 -0.32 0.00 -1.78 0.00 0.00 34.13 30.08 3dp0 s GLU 157 CO 0.16 -0.83 0.46 -2.13 -0.49 0.00 0.00 175.26 172.43 3dp0 n ARG 158 N -1.97 0.61 -0.31 1.61 0.63 -0.29 -4.63 116.66 112.32 3dp0 n ARG 158 Ca 0.09 -0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 3dp0 n ARG 158 Cb 0.53 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.95 3dp0 n ARG 158 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51