#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 0.80 0.00 1.96 0.00 -1.26 -5.05 117.38 113.83 3dp0 n GLN 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3dp0 n GLN 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3dp0 n GLN 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3dp0 n SER 10 N -0.50 0.49 -3.94 2.61 2.88 -1.26 -4.80 113.62 109.10 3dp0 n SER 10 Ca 0.00 -1.08 -0.28 0.00 -1.33 0.00 0.00 58.87 56.18 3dp0 n SER 10 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 3dp0 n SER 10 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3dp0 s GLN 11 N -0.08 1.73 -0.01 -1.46 -1.52 -1.26 -2.81 119.66 114.26 3dp0 s GLN 11 Ca 0.00 -0.36 0.04 0.00 -1.95 0.00 0.00 55.36 53.08 3dp0 s GLN 11 Cb 0.00 -1.77 -0.01 0.00 -0.22 0.00 0.00 33.01 31.01 3dp0 s GLN 11 CO 0.00 -0.27 -0.12 -0.06 -0.25 0.00 0.00 175.29 174.59 3dp0 s PHE 12 N 1.64 1.06 0.47 0.91 0.40 -0.92 -5.02 117.98 116.52 3dp0 s PHE 12 Ca 0.05 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.24 3dp0 s PHE 12 Cb -0.13 -0.68 0.01 0.00 0.51 0.00 0.00 43.02 42.74 3dp0 s PHE 12 CO -0.09 -0.02 0.47 -0.06 0.70 0.00 0.00 175.22 176.23 3dp0 s PHE 13 N -0.31 2.28 0.41 0.36 0.40 -1.26 -1.22 117.98 118.63 3dp0 s PHE 13 Ca 0.04 -0.60 0.24 0.00 -0.60 0.00 0.00 56.93 56.01 3dp0 s PHE 13 Cb -0.05 -2.15 1.25 0.00 0.51 0.00 0.00 43.02 42.59 3dp0 s PHE 13 CO -0.00 -0.40 1.70 0.97 0.70 0.00 0.00 175.22 178.19 3dp0 h ILE 14 N 0.79 0.33 -0.68 0.64 6.09 -1.88 0.40 117.51 123.20 3dp0 h ILE 14 Ca -0.38 -0.08 -0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3dp0 h ILE 14 Cb 1.28 0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.60 3dp0 h ILE 14 CO 0.53 0.04 0.42 1.05 -3.07 0.00 0.00 178.15 177.13 3dp0 h GLU 15 N 0.25 0.91 0.13 2.19 4.11 -1.94 -0.33 114.58 119.89 3dp0 h GLU 15 Ca 0.70 -0.07 -0.22 0.00 0.07 0.00 0.00 59.36 59.84 3dp0 h GLU 15 Cb 1.99 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 31.07 3dp0 h GLU 15 CO -0.36 0.63 -0.94 0.45 0.07 0.00 0.00 179.01 178.86 3dp0 h HIS 16 N 0.93 0.70 -0.49 2.06 3.86 -0.60 -3.21 115.15 118.40 3dp0 h HIS 16 Ca 0.25 -0.47 0.06 0.00 -1.16 0.00 0.00 60.37 59.04 3dp0 h HIS 16 Cb -0.06 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 3dp0 h HIS 16 CO 0.00 1.34 0.33 0.82 0.86 0.00 0.00 177.93 181.28 3dp0 h ILE 17 N -0.14 0.98 -0.53 2.45 2.04 -1.07 -0.65 117.51 120.59 3dp0 h ILE 17 Ca -0.15 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 3dp0 h ILE 17 Cb 1.70 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3dp0 h ILE 17 CO 0.18 0.08 0.05 -0.07 0.00 0.00 0.00 178.15 178.39 3dp0 h LEU 18 N 0.44 0.81 0.00 1.44 4.07 -1.11 -0.10 115.31 120.86 3dp0 h LEU 18 Ca 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3dp0 h LEU 18 Cb 0.28 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3dp0 h LEU 18 CO -0.05 0.85 -0.01 0.00 -1.08 0.00 0.00 178.44 178.14 3dp0 n GLN 19 N -4.23 0.14 -0.06 1.13 6.02 -0.29 -4.32 117.38 115.77 3dp0 n GLN 19 Ca 0.03 0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 57.01 3dp0 n GLN 19 Cb 0.28 -1.66 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 3dp0 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dp0 n ILE 20 N -1.91 1.14 -2.71 5.09 2.08 -0.93 -4.42 119.36 117.70 3dp0 n ILE 20 Ca 0.06 -0.02 -0.36 0.00 0.56 0.00 0.00 62.75 62.99 3dp0 n ILE 20 Cb 0.39 -1.88 -0.06 0.00 -0.75 0.00 0.00 39.64 37.35 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 -7.21 4.20 0.00 1.39 1.43 -0.08 -4.84 118.68 113.58 3dp0 s LEU 21 Ca -0.21 1.88 0.27 0.00 -1.03 0.00 0.00 54.13 55.03 3dp0 s LEU 21 Cb 0.06 -4.17 0.82 0.00 0.03 0.00 0.00 46.19 42.93 3dp0 s LEU 21 CO 0.28 -0.26 1.61 -0.81 0.23 0.00 0.00 176.35 177.41 3dp0 n PRO 22 N 0.14 0.36 -2.32 1.29 -0.04 -1.26 -4.72 135.00 128.44 3dp0 n PRO 22 Ca 0.04 -0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 3dp0 n PRO 22 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3dp0 n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3dp0 s HIS 23 N -2.76 3.36 0.40 0.54 3.76 -1.26 -5.04 115.29 114.28 3dp0 s HIS 23 Ca 0.18 1.48 0.03 0.00 -0.15 0.00 0.00 55.06 56.61 3dp0 s HIS 23 Cb 0.19 -3.47 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 3dp0 s HIS 23 CO 0.58 -1.26 0.10 1.03 -0.85 0.00 0.00 174.74 174.34 3dp0 s ARG 24 N -1.01 1.90 0.32 1.40 1.81 -1.26 -4.53 118.95 117.58 3dp0 s ARG 24 Ca 0.50 -2.15 -0.29 0.00 -1.72 0.00 0.00 55.73 52.07 3dp0 s ARG 24 Cb -0.35 -0.78 -0.12 0.00 -0.45 0.00 0.00 34.95 33.25 3dp0 s ARG 24 CO 0.42 -0.40 1.40 0.98 -0.68 0.00 0.00 175.30 177.02 3dp0 n TYR 25 N -0.91 2.47 -1.64 -0.53 9.36 -1.26 0.12 117.16 124.78 3dp0 n TYR 25 Ca -0.07 0.46 -0.37 0.00 3.32 0.00 0.00 57.90 61.24 3dp0 n TYR 25 Cb 0.66 -2.48 0.06 0.00 -0.63 0.00 0.00 39.34 36.95 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 1.15 2.75 0.00 2.98 -0.04 -1.26 -4.91 135.00 135.67 3dp0 n PRO 26 Ca 0.06 -3.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.08 3dp0 n PRO 26 Cb 0.36 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 -0.73 1.10 -3.01 0.54 2.81 0.32 -4.95 117.12 113.21 3dp0 n MET 27 Ca 0.58 -0.88 -0.43 0.00 -1.81 0.00 0.00 57.70 55.16 3dp0 n MET 27 Cb 0.47 -0.82 -0.05 0.00 -0.71 0.00 0.00 33.22 32.11 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 -0.44 4.48 -0.34 4.03 2.96 -0.95 -4.67 118.68 123.76 3dp0 s LEU 28 Ca 0.00 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3dp0 s LEU 28 Cb 0.00 -2.70 0.53 0.00 0.50 0.00 0.00 46.19 44.52 3dp0 s LEU 28 CO 0.00 -0.99 1.56 0.18 -1.32 0.00 0.00 176.35 175.77 3dp0 n LEU 29 N 6.72 4.77 -3.86 -0.68 4.77 -1.26 -4.90 117.00 122.55 3dp0 n LEU 29 Ca -0.02 -3.83 -0.24 0.00 -0.03 0.00 0.00 56.01 51.89 3dp0 n LEU 29 Cb 0.47 -0.67 -0.17 0.00 -2.33 0.00 0.00 43.42 40.71 3dp0 n LEU 29 CO 0.58 1.29 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.82 3dp0 s VAL 30 N -3.39 0.73 -0.12 4.08 1.01 -1.26 -4.56 120.40 116.88 3dp0 s VAL 30 Ca 0.48 -0.12 0.12 0.00 0.00 0.00 0.00 61.98 62.46 3dp0 s VAL 30 Cb 0.43 -0.79 -0.24 0.00 0.00 0.00 0.00 36.38 35.78 3dp0 s VAL 30 CO 0.02 0.31 0.36 0.47 0.00 0.00 0.00 175.10 176.25 3dp0 n ASP 31 N 4.86 0.74 -3.63 3.32 8.00 -0.35 -4.94 116.55 124.55 3dp0 n ASP 31 Ca -0.12 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 3dp0 n ASP 31 Cb 0.50 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.76 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 -2.55 0.82 -0.28 -1.24 3.52 -1.05 -2.78 118.95 115.39 3dp0 s ARG 32 Ca -0.10 0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 56.00 3dp0 s ARG 32 Cb 0.07 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.82 3dp0 s ARG 32 CO 0.81 -0.17 0.15 0.42 -0.81 0.00 0.00 175.30 175.70 3dp0 s ILE 33 N -0.25 4.91 -0.12 4.11 -1.09 -0.36 -1.54 121.20 126.86 3dp0 s ILE 33 Ca -0.04 -0.05 0.22 0.00 -2.23 0.00 0.00 60.65 58.54 3dp0 s ILE 33 Cb -0.03 -3.37 -0.26 0.00 -1.58 0.00 0.00 42.46 37.22 3dp0 s ILE 33 CO 0.04 0.22 0.63 0.35 -1.23 0.00 0.00 174.94 174.95 3dp0 n THR 34 N 5.01 0.14 -3.70 2.92 -2.24 0.10 -2.16 114.28 114.36 3dp0 n THR 34 Ca -0.14 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 3dp0 n THR 34 Cb 0.51 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 3dp0 n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dp0 s GLU 35 N -3.46 0.60 -0.20 -0.78 2.12 -0.55 -4.63 118.70 111.81 3dp0 s GLU 35 Ca -0.06 0.70 -0.10 0.00 0.36 0.00 0.00 54.97 55.87 3dp0 s GLU 35 Cb 0.13 0.29 0.07 0.00 0.26 0.00 0.00 34.13 34.88 3dp0 s GLU 35 CO 0.88 -0.08 0.46 -1.17 -0.54 0.00 0.00 175.26 174.82 3dp0 s LEU 36 N 0.24 -0.35 -0.27 2.70 0.20 -1.25 -1.10 118.68 118.85 3dp0 s LEU 36 Ca -0.00 1.02 0.02 0.00 0.69 0.00 0.00 54.13 55.86 3dp0 s LEU 36 Cb -0.04 1.54 0.07 0.00 -0.43 0.00 0.00 46.19 47.33 3dp0 s LEU 36 CO 0.01 -0.21 -0.03 -1.10 -0.29 0.00 0.00 176.35 174.73 3dp0 s GLN 37 N 1.68 1.67 0.06 1.98 -0.21 0.60 -4.75 119.66 120.69 3dp0 s GLN 37 Ca -0.08 -1.28 -0.37 0.00 0.02 0.00 0.00 55.36 53.65 3dp0 s GLN 37 Cb -0.09 -2.75 -0.19 0.00 1.00 0.00 0.00 33.01 30.99 3dp0 s GLN 37 CO -0.14 -0.70 1.08 0.00 -2.12 0.00 0.00 175.29 173.41 3dp0 n ALA 38 N 4.53 -2.71 -1.04 6.09 0.00 -1.26 -0.61 120.51 125.51 3dp0 n ALA 38 Ca -0.08 0.55 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 3dp0 n ALA 38 Cb 0.43 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 1.82 -5.61 0.07 0.00 4.13 -1.26 -4.71 115.26 109.70 3dp0 n ASN 39 Ca 0.19 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.52 3dp0 n ASN 39 Cb 0.14 -3.54 0.00 0.00 -1.54 0.00 0.00 39.78 34.84 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 0.46 0.00 -3.79 3.52 6.02 0.22 -4.69 117.38 119.12 3dp0 n GLN 40 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.87 3dp0 n GLN 40 Cb 0.50 -0.22 -0.04 0.00 1.02 0.00 0.00 30.24 31.50 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 -1.73 1.41 -0.04 -1.09 -2.85 -0.85 -0.23 119.74 114.37 3dp0 s LYS 41 Ca 0.00 -0.93 -0.19 0.00 -1.00 0.00 0.00 55.97 53.85 3dp0 s LYS 41 Cb 0.00 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 36.32 3dp0 s LYS 41 CO 0.00 -0.60 0.42 -1.50 0.10 0.00 0.00 175.35 173.77 3dp0 s ILE 42 N -3.90 0.04 -0.07 3.79 2.07 -0.23 -0.29 121.20 122.60 3dp0 s ILE 42 Ca 0.11 -0.31 -0.01 0.00 -1.41 0.00 0.00 60.65 59.03 3dp0 s ILE 42 Cb -0.01 -0.72 0.03 0.00 0.13 0.00 0.00 42.46 41.89 3dp0 s ILE 42 CO -0.01 -0.17 -0.00 -0.69 -1.91 0.00 0.00 174.94 172.16 3dp0 s VAL 43 N -1.16 0.43 0.22 4.00 1.01 -0.26 -1.92 120.40 122.70 3dp0 s VAL 43 Ca -0.12 0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3dp0 s VAL 43 Cb -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3dp0 s VAL 43 CO 0.05 0.27 0.15 0.00 0.00 0.00 0.00 175.10 175.57 3dp0 n ALA 44 N 5.12 0.42 -3.46 5.51 0.00 -0.78 0.02 120.51 127.34 3dp0 n ALA 44 Ca -0.08 -1.22 -0.10 0.00 0.00 0.00 0.00 53.44 52.04 3dp0 n ALA 44 Cb 0.50 0.94 -0.02 0.00 0.00 0.00 0.00 19.45 20.87 3dp0 n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3dp0 s TYR 45 N -2.74 -0.46 -0.06 0.00 1.13 -0.59 0.03 117.35 114.66 3dp0 s TYR 45 Ca 0.21 0.27 0.02 0.00 -1.41 0.00 0.00 57.07 56.16 3dp0 s TYR 45 Cb 0.01 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.44 3dp0 s TYR 45 CO 0.15 -0.74 -0.09 0.21 -2.51 0.00 0.00 175.55 172.58 3dp0 s LYS 46 N -3.51 1.37 0.19 -3.49 2.20 0.18 -1.22 119.74 115.46 3dp0 s LYS 46 Ca 0.03 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 3dp0 s LYS 46 Cb -0.01 -1.22 -0.08 0.00 -1.51 0.00 0.00 37.83 35.01 3dp0 s LYS 46 CO -0.11 -0.04 1.01 -0.80 -0.36 0.00 0.00 175.35 175.04 3dp0 s ASN 47 N 0.88 7.45 -0.25 1.43 0.01 -1.26 -1.53 114.94 121.66 3dp0 s ASN 47 Ca -0.11 1.99 -0.09 0.00 -0.71 0.00 0.00 52.86 53.94 3dp0 s ASN 47 Cb -0.15 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 3dp0 s ASN 47 CO 0.01 -0.04 0.11 -0.63 -1.51 0.00 0.00 177.10 175.04 3dp0 s ILE 48 N -0.61 4.67 0.16 0.60 -1.09 -0.37 -4.93 121.20 119.63 3dp0 s ILE 48 Ca 0.45 -0.05 0.07 0.00 -2.23 0.00 0.00 60.65 58.90 3dp0 s ILE 48 Cb -0.27 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 3dp0 s ILE 48 CO 0.33 0.32 -0.15 0.28 -1.23 0.00 0.00 174.94 174.49 3dp0 s THR 49 N 1.58 1.61 0.35 2.92 -1.32 -1.26 -0.66 115.64 118.85 3dp0 s THR 49 Ca 0.06 -1.94 0.07 0.00 -1.21 0.00 0.00 61.69 58.67 3dp0 s THR 49 Cb -0.15 -1.80 0.14 0.00 -1.51 0.00 0.00 72.50 69.18 3dp0 s THR 49 CO 0.06 -0.44 1.86 0.15 -2.21 0.00 0.00 174.62 174.03 3dp0 h PHE 50 N 3.13 0.37 0.00 9.09 3.57 -1.96 -3.22 116.94 127.93 3dp0 h PHE 50 Ca -0.40 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3dp0 h PHE 50 Cb 1.21 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3dp0 h PHE 50 CO 0.68 0.48 0.00 -1.71 -2.23 0.00 0.00 178.31 175.53 3dp0 n ASN 51 N -4.23 1.07 -4.34 0.41 5.15 -1.26 -4.71 115.26 107.35 3dp0 n ASN 51 Ca -0.00 -0.86 -0.33 0.00 -0.60 0.00 0.00 54.58 52.79 3dp0 n ASN 51 Cb 0.30 -0.20 -0.15 0.00 -0.53 0.00 0.00 39.78 39.20 3dp0 n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3dp0 s GLU 52 N 0.99 3.34 0.37 1.20 2.02 -1.22 -5.01 118.70 120.39 3dp0 s GLU 52 Ca 0.00 -0.70 0.15 0.00 0.02 0.00 0.00 54.97 54.44 3dp0 s GLU 52 Cb 0.00 -2.64 1.00 0.00 0.10 0.00 0.00 34.13 32.58 3dp0 s GLU 52 CO 0.00 0.15 1.79 0.22 0.02 0.00 0.00 175.26 177.44 3dp0 h ASP 53 N 6.90 0.54 -0.52 -0.19 3.58 -1.94 -1.17 116.42 123.62 3dp0 h ASP 53 Ca -0.28 0.08 0.15 0.00 0.42 0.00 0.00 57.03 57.40 3dp0 h ASP 53 Cb 1.21 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 3dp0 h ASP 53 CO 0.56 0.15 0.42 1.62 -2.88 0.00 0.00 179.24 179.12 3dp0 h VAL 54 N 0.50 0.58 0.00 2.25 3.04 -1.95 -0.37 116.25 120.30 3dp0 h VAL 54 Ca 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.25 3dp0 h VAL 54 Cb 1.26 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3dp0 h VAL 54 CO -0.30 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.75 3dp0 n PHE 55 N -4.11 0.41 0.28 3.17 0.99 -0.44 -2.82 117.46 114.94 3dp0 n PHE 55 Ca 0.10 0.14 0.15 0.00 -0.00 0.00 0.00 57.45 57.84 3dp0 n PHE 55 Cb 0.64 -0.73 0.82 0.00 -1.00 0.00 0.00 39.48 39.21 3dp0 n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3dp0 h ASN 56 N 0.00 0.00 0.00 4.37 2.35 -1.22 -3.21 115.58 117.87 3dp0 h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dp0 h ASN 56 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3dp0 h ASN 56 CO 0.00 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 3dp0 n GLY 57 N -0.72 0.42 2.27 2.83 0.00 -1.13 -4.38 105.19 104.49 3dp0 n GLY 57 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.22 -0.77 -4.20 1.61 -0.00 -1.13 -4.58 115.22 105.93 3dp0 n HIS 58 Ca 0.00 -3.32 -0.12 0.00 -0.00 0.00 0.00 57.72 54.28 3dp0 n HIS 58 Cb 0.26 -0.08 -0.10 0.00 -0.00 0.00 0.00 29.99 30.06 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 -0.96 1.05 -0.05 1.57 0.40 -0.41 -1.19 117.98 118.39 3dp0 s PHE 59 Ca 0.35 -1.01 -0.37 0.00 -0.60 0.00 0.00 56.93 55.29 3dp0 s PHE 59 Cb 0.18 -0.60 -0.15 0.00 0.51 0.00 0.00 43.02 42.96 3dp0 s PHE 59 CO -0.13 -0.23 1.58 -2.30 0.70 0.00 0.00 175.22 174.84 3dp0 n PRO 60 N -0.15 1.40 -1.29 0.24 -0.02 -1.26 -0.26 135.00 133.66 3dp0 n PRO 60 Ca -0.08 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 3dp0 n PRO 60 Cb 0.62 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.12 -5.45 -2.82 2.55 3.02 -1.26 -4.85 115.26 110.58 3dp0 n ASN 61 Ca 0.22 0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.91 3dp0 n ASN 61 Cb 0.19 -3.84 0.03 0.00 -0.61 0.00 0.00 39.78 35.55 3dp0 n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3dp0 n LYS 62 N -1.07 0.75 -1.81 3.52 3.00 0.64 -5.13 118.16 118.06 3dp0 n LYS 62 Ca -0.10 -1.99 -0.42 0.00 -0.00 0.00 0.00 58.31 55.80 3dp0 n LYS 62 Cb 0.54 -1.43 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 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 0.43 4.16 -0.10 1.64 0.04 -1.19 -1.29 135.00 138.69 3dp0 s PRO 63 Ca 0.32 2.48 -0.04 0.00 0.04 0.00 0.00 61.00 63.81 3dp0 s PRO 63 Cb 0.20 -3.57 0.05 0.00 0.04 0.00 0.00 34.50 31.22 3dp0 s PRO 63 CO -0.21 -0.79 0.20 0.42 0.04 0.00 0.00 177.00 176.66 3dp0 s ILE 64 N 2.62 -0.29 0.03 0.56 1.01 -0.33 -4.62 121.20 120.19 3dp0 s ILE 64 Ca 0.78 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.43 3dp0 s ILE 64 Cb -0.44 -0.35 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 3dp0 s ILE 64 CO 0.34 0.13 1.64 0.12 0.00 0.00 0.00 174.94 177.17 3dp0 s PHE 65 N 2.19 2.31 0.05 3.97 5.36 0.15 -4.56 117.98 127.45 3dp0 s PHE 65 Ca 0.01 0.30 -0.36 0.00 -0.96 0.00 0.00 56.93 55.92 3dp0 s PHE 65 Cb -0.12 -3.94 -0.15 0.00 -0.34 0.00 0.00 43.02 38.47 3dp0 s PHE 65 CO -0.07 -3.81 1.53 -2.30 -1.46 0.00 0.00 175.22 169.12 3dp0 n PRO 66 N 6.00 1.62 -0.17 10.12 -0.02 -1.26 -4.59 135.00 146.71 3dp0 n PRO 66 Ca 0.16 0.59 -0.02 0.00 -2.02 0.00 0.00 63.50 62.21 3dp0 n PRO 66 Cb 0.41 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 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 5.87 0.69 1.62 -1.23 0.00 -1.99 -1.02 103.07 107.01 3dp0 h GLY 67 Ca -0.47 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 46.81 3dp0 h GLY 67 CO 0.86 -0.01 0.19 -0.39 0.00 0.00 0.00 176.54 177.18 3dp0 h VAL 68 N 0.34 0.99 0.00 4.60 -1.51 -2.00 -0.53 116.25 118.14 3dp0 h VAL 68 Ca 0.25 -0.08 -0.10 0.00 -1.23 0.00 0.00 66.70 65.55 3dp0 h VAL 68 Cb 0.30 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3dp0 h VAL 68 CO -0.27 0.04 -0.45 -0.07 -1.23 0.00 0.00 177.57 175.59 3dp0 h LEU 69 N 0.24 0.00 -0.62 4.19 3.38 -1.57 -1.61 115.31 119.32 3dp0 h LEU 69 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3dp0 h LEU 69 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dp0 h LEU 69 CO -0.02 0.45 -0.18 0.40 0.09 0.00 0.00 178.44 179.18 3dp0 h ILE 70 N 0.00 1.27 -0.39 1.22 2.04 -0.69 -0.78 117.51 120.18 3dp0 h ILE 70 Ca -0.00 -1.32 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 3dp0 h ILE 70 Cb 0.99 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3dp0 h ILE 70 CO 0.06 0.45 0.03 0.58 0.00 0.00 0.00 178.15 179.27 3dp0 h VAL 71 N 0.78 1.25 -0.90 1.67 2.07 -1.23 -1.90 116.25 118.00 3dp0 h VAL 71 Ca 0.11 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.77 3dp0 h VAL 71 Cb 0.72 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3dp0 h VAL 71 CO 0.06 0.32 0.55 -0.08 0.02 0.00 0.00 177.57 178.44 3dp0 h GLU 72 N 0.51 0.91 -0.29 1.57 4.57 -0.96 0.99 114.58 121.89 3dp0 h GLU 72 Ca 0.11 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 3dp0 h GLU 72 Cb 0.43 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3dp0 h GLU 72 CO 0.01 0.60 -0.24 0.78 -1.18 0.00 0.00 179.01 178.99 3dp0 h GLY 73 N 0.94 0.60 1.33 1.92 0.00 -0.79 -1.13 103.07 105.95 3dp0 h GLY 73 Ca 0.42 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3dp0 h GLY 73 CO -0.22 0.45 -0.33 -0.33 0.00 0.00 0.00 176.54 176.11 3dp0 h MET 74 N 0.49 0.75 -0.56 4.80 2.86 -0.43 -2.03 114.93 120.80 3dp0 h MET 74 Ca 0.07 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 3dp0 h MET 74 Cb 0.68 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3dp0 h MET 74 CO 0.05 0.97 0.22 0.00 1.06 0.00 0.00 176.91 179.21 3dp0 h ALA 75 N 1.00 0.73 -0.25 6.32 0.00 -0.44 -1.22 119.26 125.41 3dp0 h ALA 75 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3dp0 h ALA 75 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3dp0 h ALA 75 CO 0.07 0.35 -0.15 1.96 0.00 0.00 0.00 179.25 181.49 3dp0 h GLN 76 N 0.78 0.42 -0.26 0.00 4.20 -1.05 0.13 115.11 119.34 3dp0 h GLN 76 Ca 0.19 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3dp0 h GLN 76 Cb 0.21 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3dp0 h GLN 76 CO -0.01 0.57 -0.03 0.77 -0.67 0.00 0.00 178.83 179.46 3dp0 h SER 77 N 0.39 0.47 -0.32 1.46 0.02 -1.04 -1.77 113.55 112.76 3dp0 h SER 77 Ca 0.07 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3dp0 h SER 77 Cb 0.50 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3dp0 h SER 77 CO 0.03 0.69 0.16 1.23 -1.14 0.00 0.00 176.83 177.81 3dp0 h GLY 78 N 0.24 0.43 0.98 -3.77 0.00 -0.69 -1.84 103.07 98.42 3dp0 h GLY 78 Ca 0.07 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.36 3dp0 h GLY 78 CO 0.02 0.09 0.48 -1.33 0.00 0.00 0.00 176.54 175.80 3dp0 h GLY 79 N 0.34 0.93 1.05 4.60 0.00 -0.59 0.22 103.07 109.62 3dp0 h GLY 79 Ca 0.13 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 3dp0 h GLY 79 CO -0.08 0.19 -0.23 -2.75 0.00 0.00 0.00 176.54 173.67 3dp0 h PHE 80 N 0.70 1.01 -0.04 5.60 3.57 -0.72 -1.12 116.94 125.94 3dp0 h PHE 80 Ca 0.32 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3dp0 h PHE 80 Cb 0.36 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3dp0 h PHE 80 CO -0.00 1.04 0.00 1.25 -2.23 0.00 0.00 178.31 178.38 3dp0 h LEU 81 N 0.68 0.06 -0.23 0.59 5.85 -0.51 -2.17 115.31 119.58 3dp0 h LEU 81 Ca 0.09 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3dp0 h LEU 81 Cb 0.80 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 3dp0 h LEU 81 CO 0.07 0.32 -0.24 0.00 -0.34 0.00 0.00 178.44 178.25 3dp0 h ALA 82 N 0.74 -0.14 0.12 1.25 0.00 -0.56 -1.28 119.26 119.38 3dp0 h ALA 82 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dp0 h ALA 82 Cb 0.29 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3dp0 h ALA 82 CO 0.00 -0.67 -0.06 0.35 0.00 0.00 0.00 179.25 178.87 3dp0 h PHE 83 N -0.26 -0.14 0.00 0.00 3.57 -1.16 -2.82 116.94 116.13 3dp0 h PHE 83 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3dp0 h PHE 83 Cb 0.46 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3dp0 h PHE 83 CO -0.39 -0.00 -0.04 1.79 -2.23 0.00 0.00 178.31 177.43 3dp0 h THR 84 N -0.26 0.21 -0.23 4.41 1.35 -1.27 -0.58 112.91 116.55 3dp0 h THR 84 Ca -0.02 -0.35 -0.15 0.00 -0.55 0.00 0.00 66.41 65.34 3dp0 h THR 84 Cb 0.21 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3dp0 h THR 84 CO 0.03 0.04 -0.49 0.28 -0.25 0.00 0.00 175.52 175.13 3dp0 h SER 85 N 0.00 0.68 0.43 5.36 0.02 -0.99 -0.22 113.55 118.83 3dp0 h SER 85 Ca -0.00 -0.34 -0.30 0.00 -0.84 0.00 0.00 61.79 60.31 3dp0 h SER 85 Cb 0.28 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3dp0 h SER 85 CO 0.01 1.05 -1.75 0.18 -1.14 0.00 0.00 176.83 175.18 3dp0 n LEU 86 N -3.99 1.21 0.00 5.07 4.32 -0.74 -4.61 117.00 118.26 3dp0 n LEU 86 Ca -0.03 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3dp0 n LEU 86 Cb 0.57 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 3dp0 n LEU 86 CO 0.47 0.47 0.33 0.79 -1.22 0.00 0.00 177.39 178.23 3dp0 n TRP 87 N -3.13 0.00 -4.93 -1.77 8.01 -0.30 -5.12 117.44 110.19 3dp0 n TRP 87 Ca -0.19 -0.18 0.00 0.00 -1.31 0.00 0.00 57.50 55.82 3dp0 n TRP 87 Cb 1.05 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 30.33 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 -0.18 0.83 3.52 6.99 0.00 -0.09 -3.62 105.19 112.64 3dp0 n GLY 88 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 3.00 -0.54 1.61 5.36 -1.26 -4.24 117.98 121.91 3dp0 s PHE 89 Ca 0.00 -1.57 0.04 0.00 -0.96 0.00 0.00 56.93 54.45 3dp0 s PHE 89 Cb 0.00 -4.53 0.13 0.00 -0.34 0.00 0.00 43.02 38.29 3dp0 s PHE 89 CO 0.00 -1.66 0.28 0.34 -1.46 0.00 0.00 175.22 172.73 3dp0 s ASP 90 N 3.87 4.36 0.37 6.13 -1.08 -1.24 -4.97 116.67 124.11 3dp0 s ASP 90 Ca 0.45 -3.10 0.06 0.00 -0.52 0.00 0.00 52.55 49.44 3dp0 s ASP 90 Cb -0.00 -1.63 0.73 0.00 -1.46 0.00 0.00 42.92 40.56 3dp0 s ASP 90 CO -0.01 -0.22 1.96 -0.65 0.52 0.00 0.00 175.17 176.77 3dp0 h PRO 91 N 6.38 0.51 -0.76 4.34 0.11 -1.91 -1.33 132.00 139.35 3dp0 h PRO 91 Ca -0.06 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 3dp0 h PRO 91 Cb 0.88 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 3dp0 h PRO 91 CO 0.69 0.45 0.30 1.49 -0.21 0.00 0.00 178.00 180.72 3dp0 h GLU 92 N 0.51 1.13 0.22 1.05 4.57 -1.93 -2.19 114.58 117.94 3dp0 h GLU 92 Ca 0.12 -0.20 -0.34 0.00 -1.18 0.00 0.00 59.36 57.77 3dp0 h GLU 92 Cb 0.15 -0.19 0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3dp0 h GLU 92 CO -0.01 0.92 -1.54 0.82 -1.18 0.00 0.00 179.01 178.02 3dp0 h ILE 93 N 1.10 1.21 -0.82 2.32 2.04 -1.93 -3.26 117.51 118.17 3dp0 h ILE 93 Ca 0.25 -2.69 0.22 0.00 1.00 0.00 0.00 64.86 63.64 3dp0 h ILE 93 Cb 0.21 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 3dp0 h ILE 93 CO -0.02 0.83 0.58 0.00 0.00 0.00 0.00 178.15 179.54 3dp0 h ALA 94 N 0.20 2.62 0.00 1.87 0.00 -1.10 0.35 119.26 123.20 3dp0 h ALA 94 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dp0 h ALA 94 Cb 2.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.96 3dp0 h ALA 94 CO 0.24 -0.86 0.00 0.87 0.00 0.00 0.00 179.25 179.50 3dp0 h LYS 95 N 0.10 0.00 -0.91 0.00 1.57 -1.44 -2.86 116.57 113.02 3dp0 h LYS 95 Ca 0.40 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.62 3dp0 h LYS 95 Cb 1.43 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.45 3dp0 h LYS 95 CO -0.04 0.00 0.57 0.25 -0.57 0.00 0.00 179.45 179.66 3dp0 n THR 96 N -2.70 3.29 -3.98 -0.16 -2.24 0.12 -4.98 114.28 103.63 3dp0 n THR 96 Ca 0.00 -2.64 -0.10 0.00 -2.27 0.00 0.00 64.05 59.05 3dp0 n THR 96 Cb 0.19 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 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 -3.56 1.31 0.16 -0.78 -0.14 -1.08 -3.20 119.74 112.45 3dp0 s LYS 97 Ca 0.59 -1.23 -0.16 0.00 -1.36 0.00 0.00 55.97 53.81 3dp0 s LYS 97 Cb 0.48 0.41 0.03 0.00 -1.68 0.00 0.00 37.83 37.06 3dp0 s LYS 97 CO 0.04 -0.51 0.44 0.96 -0.76 0.00 0.00 175.35 175.53 3dp0 s ILE 98 N -4.00 0.05 0.03 2.17 -4.36 -0.99 -4.77 121.20 109.33 3dp0 s ILE 98 Ca 0.21 -0.75 0.04 0.00 -0.26 0.00 0.00 60.65 59.88 3dp0 s ILE 98 Cb 0.02 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 3dp0 s ILE 98 CO 0.04 -0.22 -0.05 -0.69 0.24 0.00 0.00 174.94 174.26 3dp0 s VAL 99 N -3.85 3.75 -0.11 8.37 1.01 -1.26 -1.48 120.40 126.82 3dp0 s VAL 99 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3dp0 s VAL 99 Cb 0.01 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3dp0 s VAL 99 CO -0.07 0.30 -0.16 -0.31 0.00 0.00 0.00 175.10 174.87 3dp0 s TYR 100 N -1.10 2.07 0.07 5.22 1.51 0.31 -4.93 117.35 120.51 3dp0 s TYR 100 Ca 0.20 -0.99 -0.31 0.00 -1.01 0.00 0.00 57.07 54.95 3dp0 s TYR 100 Cb -0.11 -1.48 -0.07 0.00 -0.11 0.00 0.00 41.96 40.19 3dp0 s TYR 100 CO 0.11 -0.50 1.31 -0.06 -1.11 0.00 0.00 175.55 175.30 3dp0 s PHE 101 N 0.98 3.27 -0.20 2.71 0.08 -1.26 0.10 117.98 123.66 3dp0 s PHE 101 Ca -0.06 1.08 -0.08 0.00 0.12 0.00 0.00 56.93 57.99 3dp0 s PHE 101 Cb -0.15 -3.57 -0.10 0.00 -0.57 0.00 0.00 43.02 38.64 3dp0 s PHE 101 CO -0.02 -1.93 -0.24 -1.33 -0.10 0.00 0.00 175.22 171.60 3dp0 n MET 102 N 4.16 0.44 -3.74 0.44 2.81 0.20 -4.92 117.12 116.52 3dp0 n MET 102 Ca 0.11 0.17 -0.10 0.00 -1.81 0.00 0.00 57.70 56.07 3dp0 n MET 102 Cb 0.44 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.63 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 -2.38 0.10 0.00 2.03 -4.23 -0.89 -4.97 115.64 105.30 3dp0 s THR 103 Ca -0.28 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 3dp0 s THR 103 Cb 0.10 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 3dp0 s THR 103 CO 0.38 -0.44 0.04 -0.63 -0.54 0.00 0.00 174.62 173.43 3dp0 s ILE 104 N -3.46 0.06 0.04 2.99 1.01 -1.26 -1.05 121.20 119.53 3dp0 s ILE 104 Ca 0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 3dp0 s ILE 104 Cb 0.02 -0.23 0.09 0.00 0.01 0.00 0.00 42.46 42.36 3dp0 s ILE 104 CO -0.09 -0.28 0.89 -0.62 0.00 0.00 0.00 174.94 174.83 3dp0 s ASP 105 N -0.87 -0.34 -1.42 3.58 3.68 -0.49 -5.00 116.67 115.82 3dp0 s ASP 105 Ca -0.10 -0.08 -0.07 0.00 2.13 0.00 0.00 52.55 54.43 3dp0 s ASP 105 Cb -0.06 0.42 0.04 0.00 -1.45 0.00 0.00 42.92 41.87 3dp0 s ASP 105 CO -0.00 -0.70 0.90 0.29 0.13 0.00 0.00 175.17 175.79 3dp0 n LYS 106 N -0.30 -5.59 -3.69 4.34 5.02 -1.26 -2.00 118.16 114.69 3dp0 n LYS 106 Ca -0.09 0.64 -0.37 0.00 -2.02 0.00 0.00 58.31 56.47 3dp0 n LYS 106 Cb 0.62 -5.42 -0.06 0.00 -0.02 0.00 0.00 35.03 30.14 3dp0 n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3dp0 s VAL 107 N -3.45 5.33 -0.02 -0.18 -7.23 -1.26 -3.90 120.40 109.69 3dp0 s VAL 107 Ca 0.37 0.45 0.02 0.00 -1.81 0.00 0.00 61.98 61.01 3dp0 s VAL 107 Cb -0.18 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.22 3dp0 s VAL 107 CO 0.81 0.54 -0.07 -0.54 -0.31 0.00 0.00 175.10 175.53 3dp0 s LYS 108 N -0.56 0.75 -0.47 4.82 1.02 -0.70 -4.97 119.74 119.63 3dp0 s LYS 108 Ca 0.17 -0.21 -0.05 0.00 0.02 0.00 0.00 55.97 55.89 3dp0 s LYS 108 Cb -0.13 -0.73 0.12 0.00 -0.52 0.00 0.00 37.83 36.57 3dp0 s LYS 108 CO 0.06 0.06 0.30 -0.06 -0.92 0.00 0.00 175.35 174.79 3dp0 s PHE 109 N 0.29 3.51 -0.02 3.18 0.40 -1.26 -1.60 117.98 122.48 3dp0 s PHE 109 Ca -0.04 -2.28 -0.13 0.00 -0.60 0.00 0.00 56.93 53.87 3dp0 s PHE 109 Cb -0.08 -3.33 -0.33 0.00 0.51 0.00 0.00 43.02 39.79 3dp0 s PHE 109 CO 0.00 -0.96 0.79 0.00 0.70 0.00 0.00 175.22 175.75 3dp0 h ARG 110 N 8.01 0.44 -4.10 0.44 3.08 -1.54 -3.47 114.38 117.25 3dp0 h ARG 110 Ca -0.13 -0.76 -0.43 0.00 0.07 0.00 0.00 59.98 58.73 3dp0 h ARG 110 Cb 1.04 0.28 -0.34 0.00 0.08 0.00 0.00 29.97 31.03 3dp0 h ARG 110 CO 0.75 1.36 -0.78 0.42 -1.07 0.00 0.00 179.97 180.66 3dp0 s ILE 111 N -2.58 0.63 0.34 2.04 1.01 -1.03 -5.03 121.20 116.58 3dp0 s ILE 111 Ca -0.14 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 3dp0 s ILE 111 Cb 0.05 -0.64 -0.11 0.00 0.01 0.00 0.00 42.46 41.77 3dp0 s ILE 111 CO 0.88 0.25 1.47 -2.16 0.00 0.00 0.00 174.94 175.38 3dp0 s PRO 112 N 0.91 4.17 -0.17 2.79 0.04 -1.26 -4.82 135.00 136.67 3dp0 s PRO 112 Ca -0.11 2.49 -0.09 0.00 0.04 0.00 0.00 61.00 63.33 3dp0 s PRO 112 Cb -0.14 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 3dp0 s PRO 112 CO 0.00 -0.48 0.13 0.08 0.04 0.00 0.00 177.00 176.78 3dp0 s VAL 113 N -0.85 5.43 0.24 -0.36 1.01 -1.26 -5.03 120.40 119.58 3dp0 s VAL 113 Ca 0.54 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.72 3dp0 s VAL 113 Cb -0.45 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3dp0 s VAL 113 CO 0.57 0.51 0.10 0.42 0.00 0.00 0.00 175.10 176.70 3dp0 s THR 114 N -0.21 0.42 0.15 3.92 -4.23 -1.26 -0.68 115.64 113.75 3dp0 s THR 114 Ca 0.11 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.28 3dp0 s THR 114 Cb -0.11 -2.57 -0.15 0.00 1.34 0.00 0.00 72.50 71.00 3dp0 s THR 114 CO 0.01 -0.03 1.36 -2.65 -0.54 0.00 0.00 174.62 172.76 3dp0 n PRO 115 N -0.40 1.50 0.00 3.99 -0.02 -1.26 -1.92 135.00 136.89 3dp0 n PRO 115 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3dp0 n PRO 115 Cb 0.66 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.53 0.51 3.86 -1.23 0.00 0.17 -4.95 105.19 106.08 3dp0 n GLY 116 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.67 6.65 -0.71 1.61 1.01 -0.81 -4.94 116.67 116.81 3dp0 s ASP 117 Ca 0.00 0.78 -0.15 0.00 0.71 0.00 0.00 52.55 53.89 3dp0 s ASP 117 Cb 0.00 -2.18 0.17 0.00 1.01 0.00 0.00 42.92 41.92 3dp0 s ASP 117 CO 0.00 0.27 0.68 -0.60 0.21 0.00 0.00 175.17 175.73 3dp0 s ARG 118 N -1.48 3.34 -0.62 8.23 3.52 -1.26 -1.24 118.95 129.43 3dp0 s ARG 118 Ca 0.27 -2.07 -0.27 0.00 -0.13 0.00 0.00 55.73 53.54 3dp0 s ARG 118 Cb -0.15 -4.39 -0.02 0.00 -1.56 0.00 0.00 34.95 28.83 3dp0 s ARG 118 CO 0.14 -1.35 1.82 -1.17 -0.81 0.00 0.00 175.30 173.94 3dp0 s LEU 119 N 1.01 3.28 -0.13 -0.88 2.96 -0.58 -4.48 118.68 119.85 3dp0 s LEU 119 Ca 0.13 0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 54.14 3dp0 s LEU 119 Cb -0.18 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3dp0 s LEU 119 CO -0.03 -2.35 0.47 -0.70 -1.32 0.00 0.00 176.35 172.42 3dp0 s GLU 120 N 6.96 4.33 -0.20 1.98 2.12 0.66 -0.65 118.70 133.89 3dp0 s GLU 120 Ca 0.65 0.43 -0.09 0.00 0.36 0.00 0.00 54.97 56.32 3dp0 s GLU 120 Cb -0.12 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 3dp0 s GLU 120 CO 0.20 0.14 0.10 0.71 -0.54 0.00 0.00 175.26 175.87 3dp0 s TYR 121 N 0.70 3.29 -0.23 5.30 4.12 0.10 0.11 117.35 130.74 3dp0 s TYR 121 Ca 0.25 0.13 0.01 0.00 0.02 0.00 0.00 57.07 57.49 3dp0 s TYR 121 Cb -0.15 -2.15 0.05 0.00 -1.52 0.00 0.00 41.96 38.19 3dp0 s TYR 121 CO 0.10 0.13 -0.09 -1.01 0.02 0.00 0.00 175.55 174.70 3dp0 s HIS 122 N 0.62 2.64 0.02 2.71 3.76 0.89 -1.87 115.29 124.06 3dp0 s HIS 122 Ca 0.05 -1.84 0.03 0.00 -0.15 0.00 0.00 55.06 53.15 3dp0 s HIS 122 Cb -0.13 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 3dp0 s HIS 122 CO 0.01 -0.79 -0.09 -0.51 -0.85 0.00 0.00 174.74 172.51 3dp0 s LEU 123 N 1.32 2.13 0.09 0.89 1.02 -0.81 -0.64 118.68 122.68 3dp0 s LEU 123 Ca -0.05 -0.34 0.06 0.00 0.02 0.00 0.00 54.13 53.83 3dp0 s LEU 123 Cb -0.18 -0.37 -0.03 0.00 0.02 0.00 0.00 46.19 45.62 3dp0 s LEU 123 CO -0.07 -0.01 -0.16 -1.83 0.02 0.00 0.00 176.35 174.31 3dp0 s GLU 124 N -0.83 0.94 -0.37 1.70 -1.05 -0.56 -1.07 118.70 117.45 3dp0 s GLU 124 Ca -0.01 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.45 3dp0 s GLU 124 Cb -0.06 -0.97 0.02 0.00 -0.44 0.00 0.00 34.13 32.68 3dp0 s GLU 124 CO 0.00 0.21 1.10 0.08 0.95 0.00 0.00 175.26 177.61 3dp0 s VAL 125 N -1.46 4.40 0.02 1.83 1.01 0.68 -1.70 120.40 125.18 3dp0 s VAL 125 Ca 0.03 1.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.50 3dp0 s VAL 125 Cb -0.09 -4.48 -0.30 0.00 0.00 0.00 0.00 36.38 31.52 3dp0 s VAL 125 CO 0.03 -0.66 0.95 -0.07 0.00 0.00 0.00 175.10 175.34 3dp0 h LEU 126 N 10.48 0.52 -7.00 3.92 3.38 -0.04 -3.48 115.31 123.09 3dp0 h LEU 126 Ca -0.21 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3dp0 h LEU 126 Cb 1.06 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 3dp0 h LEU 126 CO 1.07 1.51 0.32 -0.75 0.09 0.00 0.00 178.44 180.68 3dp0 s LYS 127 N -2.62 0.95 -0.28 1.13 2.20 -0.82 -5.01 119.74 115.29 3dp0 s LYS 127 Ca -0.08 0.05 -0.19 0.00 -0.36 0.00 0.00 55.97 55.39 3dp0 s LYS 127 Cb 0.06 0.45 0.12 0.00 -1.51 0.00 0.00 37.83 36.95 3dp0 s LYS 127 CO 0.88 -0.33 0.91 -3.38 -0.36 0.00 0.00 175.35 173.07 3dp0 s HIS 128 N -1.80 -0.67 -0.26 4.03 -3.43 -1.26 0.51 115.29 112.41 3dp0 s HIS 128 Ca -0.05 1.40 -0.05 0.00 -0.80 0.00 0.00 55.06 55.56 3dp0 s HIS 128 Cb -0.00 0.41 0.14 0.00 -1.43 0.00 0.00 32.58 31.69 3dp0 s HIS 128 CO 0.02 -0.33 0.52 -1.59 -2.00 0.00 0.00 174.74 171.36 3dp0 s LYS 129 N 1.10 0.46 5.55 -0.38 -2.85 -0.65 -5.03 119.74 117.94 3dp0 s LYS 129 Ca -0.06 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 3dp0 s LYS 129 Cb -0.04 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 3dp0 s LYS 129 CO -0.13 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.27 3dp0 n GLY 130 N 5.41 0.89 0.02 0.59 0.00 -1.26 -2.99 105.19 107.86 3dp0 n GLY 130 Ca -0.06 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 12.39 0.07 -3.03 1.61 2.81 -1.26 -4.80 117.12 124.91 3dp0 n MET 131 Ca 0.00 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 3dp0 n MET 131 Cb 0.00 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 30.89 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 -3.03 4.86 -0.05 2.02 1.01 -1.16 -2.06 121.20 122.78 3dp0 s ILE 132 Ca 0.12 0.98 0.05 0.00 0.00 0.00 0.00 60.65 61.80 3dp0 s ILE 132 Cb 0.17 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3dp0 s ILE 132 CO 0.61 -0.22 -0.21 0.26 0.00 0.00 0.00 174.94 175.38 3dp0 s TRP 133 N 2.80 2.08 -0.25 3.97 0.52 -0.66 -1.64 118.94 125.75 3dp0 s TRP 133 Ca 0.29 -0.62 -0.01 0.00 0.02 0.00 0.00 56.10 55.78 3dp0 s TRP 133 Cb -0.14 -1.38 0.03 0.00 -1.15 0.00 0.00 33.47 30.83 3dp0 s TRP 133 CO 0.13 -0.20 -0.07 -1.14 0.02 0.00 0.00 176.95 175.69 3dp0 s GLN 134 N -0.05 2.73 0.24 4.98 0.74 0.18 -1.46 119.66 127.02 3dp0 s GLN 134 Ca -0.04 -1.04 0.12 0.00 0.05 0.00 0.00 55.36 54.45 3dp0 s GLN 134 Cb -0.13 -2.96 -0.05 0.00 1.10 0.00 0.00 33.01 30.98 3dp0 s GLN 134 CO 0.03 -0.43 -0.22 0.14 -0.55 0.00 0.00 175.29 174.27 3dp0 s VAL 135 N 1.29 2.44 0.01 1.34 -7.23 -0.24 0.71 120.40 118.72 3dp0 s VAL 135 Ca -0.01 -2.21 -0.19 0.00 -1.81 0.00 0.00 61.98 57.76 3dp0 s VAL 135 Cb -0.17 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.58 3dp0 s VAL 135 CO -0.05 -0.26 0.42 -0.83 -0.31 0.00 0.00 175.10 174.07 3dp0 s GLY 136 N -3.09 -0.28 0.00 2.32 0.00 -0.69 -0.43 107.32 105.15 3dp0 s GLY 136 Ca 0.25 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.43 3dp0 s GLY 136 CO 0.13 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.03 3dp0 n GLY 137 N 0.79 -0.66 3.22 0.20 0.00 -0.48 -1.50 105.19 106.77 3dp0 n GLY 137 Ca -0.19 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.00 0.09 -0.10 2.61 -4.23 0.19 -2.06 115.64 108.13 3dp0 s THR 138 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3dp0 s THR 138 Cb 0.00 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.33 3dp0 s THR 138 CO 0.00 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 173.89 3dp0 s ALA 139 N -4.06 1.85 0.14 3.99 0.00 -0.24 -0.07 121.76 123.37 3dp0 s ALA 139 Ca 0.39 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.62 3dp0 s ALA 139 Cb 0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3dp0 s ALA 139 CO 0.13 0.08 -0.18 -0.65 0.00 0.00 0.00 175.76 175.15 3dp0 s GLN 140 N 0.69 1.19 -0.17 0.00 -0.21 0.29 -1.05 119.66 120.41 3dp0 s GLN 140 Ca -0.12 -1.33 -0.03 0.00 0.02 0.00 0.00 55.36 53.90 3dp0 s GLN 140 Cb -0.16 -1.24 0.05 0.00 1.00 0.00 0.00 33.01 32.66 3dp0 s GLN 140 CO 0.03 0.26 0.04 0.08 -2.12 0.00 0.00 175.29 173.57 3dp0 s VAL 141 N -1.92 0.39 -1.20 1.09 1.01 -0.58 -0.25 120.40 118.94 3dp0 s VAL 141 Ca 0.13 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3dp0 s VAL 141 Cb -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3dp0 s VAL 141 CO 0.05 -0.14 0.80 -0.67 0.00 0.00 0.00 175.10 175.14 3dp0 n ASP 142 N 5.11 -3.43 0.00 3.32 -0.08 -1.26 -2.50 116.55 117.70 3dp0 n ASP 142 Ca -0.08 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.38 3dp0 n ASP 142 Cb 0.48 -4.26 0.00 0.00 2.34 0.00 0.00 41.12 39.68 3dp0 n ASP 142 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dp0 n GLY 143 N -1.48 1.96 3.86 0.27 0.00 -1.26 -4.99 105.19 103.55 3dp0 n GLY 143 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 3.65 -0.24 1.61 1.02 -1.04 -5.05 119.74 119.69 3dp0 s LYS 144 Ca 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 3dp0 s LYS 144 Cb 0.00 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3dp0 s LYS 144 CO 0.00 0.73 1.34 0.08 -0.92 0.00 0.00 175.35 176.58 3dp0 s VAL 145 N -1.08 4.12 -0.13 3.17 1.01 -1.26 -1.53 120.40 124.70 3dp0 s VAL 145 Ca 0.20 1.30 0.19 0.00 0.00 0.00 0.00 61.98 63.67 3dp0 s VAL 145 Cb -0.14 -4.02 -0.20 0.00 0.00 0.00 0.00 36.38 32.02 3dp0 s VAL 145 CO 0.09 -0.32 0.60 0.52 0.00 0.00 0.00 175.10 175.99 3dp0 n VAL 146 N 5.92 0.83 -3.52 2.92 0.31 -0.21 -4.48 118.33 120.09 3dp0 n VAL 146 Ca 0.15 -0.66 -0.10 0.00 -0.01 0.00 0.00 64.34 63.72 3dp0 n VAL 146 Cb 0.46 -0.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.93 3dp0 n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dp0 s ALA 147 N -3.05 -1.84 0.06 3.52 0.00 -1.04 -1.46 121.76 117.94 3dp0 s ALA 147 Ca -0.05 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.13 3dp0 s ALA 147 Cb 0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3dp0 s ALA 147 CO 0.84 -0.55 -0.13 -1.21 0.00 0.00 0.00 175.76 174.71 3dp0 s GLU 148 N -2.40 0.76 0.05 0.00 2.02 -0.63 -1.08 118.70 117.42 3dp0 s GLU 148 Ca 0.01 -0.86 -0.27 0.00 0.02 0.00 0.00 54.97 53.87 3dp0 s GLU 148 Cb -0.01 -0.71 0.09 0.00 0.10 0.00 0.00 34.13 33.60 3dp0 s GLU 148 CO -0.04 0.16 0.88 0.00 0.02 0.00 0.00 175.26 176.27 3dp0 s ALA 149 N -1.21 -1.76 -0.02 5.21 0.00 -0.88 -1.72 121.76 121.38 3dp0 s ALA 149 Ca -0.03 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3dp0 s ALA 149 Cb -0.09 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.55 3dp0 s ALA 149 CO 0.02 -0.78 -0.03 -1.21 0.00 0.00 0.00 175.76 173.76 3dp0 s GLU 150 N -3.22 0.42 0.03 0.00 2.02 -0.84 -1.38 118.70 115.72 3dp0 s GLU 150 Ca 0.06 -0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.88 3dp0 s GLU 150 Cb -0.01 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.75 3dp0 s GLU 150 CO -0.07 -0.03 0.25 -0.48 0.02 0.00 0.00 175.26 174.95 3dp0 s LEU 151 N 0.53 1.11 -0.11 1.80 0.05 0.43 -1.40 118.68 121.09 3dp0 s LEU 151 Ca -0.06 -0.20 0.02 0.00 0.05 0.00 0.00 54.13 53.94 3dp0 s LEU 151 Cb -0.09 1.14 0.01 0.00 -2.05 0.00 0.00 46.19 45.20 3dp0 s LEU 151 CO -0.01 -0.54 -0.18 -0.75 -0.55 0.00 0.00 176.35 174.32 3dp0 s LYS 152 N -2.23 2.49 0.35 1.48 2.20 -0.22 -1.08 119.74 122.73 3dp0 s LYS 152 Ca -0.07 -0.67 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 3dp0 s LYS 152 Cb -0.02 -2.04 -0.07 0.00 -1.51 0.00 0.00 37.83 34.19 3dp0 s LYS 152 CO -0.02 -0.01 0.04 0.00 -0.36 0.00 0.00 175.35 175.01 3dp0 s ALA 153 N 0.83 2.60 -0.02 3.13 0.00 -0.53 0.62 121.76 128.38 3dp0 s ALA 153 Ca -0.09 -2.13 -0.01 0.00 0.00 0.00 0.00 51.96 49.72 3dp0 s ALA 153 Cb -0.16 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3dp0 s ALA 153 CO 0.00 -0.25 0.06 1.41 0.00 0.00 0.00 175.76 176.98 3dp0 s MET 154 N -3.84 0.04 -0.19 0.00 1.75 0.11 -1.66 119.30 115.52 3dp0 s MET 154 Ca 0.36 0.14 -0.15 0.00 -1.25 0.00 0.00 55.69 54.79 3dp0 s MET 154 Cb 0.09 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.65 3dp0 s MET 154 CO 0.16 -0.07 0.36 0.42 -0.65 0.00 0.00 175.02 175.24 3dp0 s ILE 155 N 0.45 5.24 0.06 10.11 1.01 -0.87 0.11 121.20 137.31 3dp0 s ILE 155 Ca -0.04 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.30 3dp0 s ILE 155 Cb -0.05 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3dp0 s ILE 155 CO -0.02 0.30 -0.12 0.00 0.00 0.00 0.00 174.94 175.10 3dp0 s ALA 156 N 1.03 0.99 0.05 9.38 0.00 -0.55 -4.76 121.76 127.89 3dp0 s ALA 156 Ca 0.18 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3dp0 s ALA 156 Cb -0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.84 3dp0 s ALA 156 CO 0.07 0.11 1.80 -1.21 0.00 0.00 0.00 175.76 176.53 3dp0 s GLU 157 N -1.69 4.16 0.55 0.00 0.41 -1.26 -2.35 118.70 118.52 3dp0 s GLU 157 Ca -0.04 2.46 0.33 0.00 -0.41 0.00 0.00 54.97 57.31 3dp0 s GLU 157 Cb -0.10 -3.87 1.55 0.00 -1.78 0.00 0.00 34.13 29.92 3dp0 s GLU 157 CO 0.02 -0.86 2.07 0.07 -0.49 0.00 0.00 175.26 176.06 3dp0 h ARG 158 N 9.42 0.00 0.00 1.61 0.11 -1.85 -3.48 114.38 120.20 3dp0 h ARG 158 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3dp0 h ARG 158 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3dp0 h ARG 158 CO 0.94 0.06 0.00 0.39 0.10 0.00 0.00 179.97 181.47