#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv8 h ILE 1 N 0.00 0.33 -4.01 3.17 3.07 -2.08 -3.44 117.51 114.54 3mv8 h ILE 1 Ca 0.00 0.00 -0.39 0.00 1.55 0.00 0.00 64.86 66.02 3mv8 h ILE 1 Cb 0.00 0.33 -0.25 0.00 -0.27 0.00 0.00 36.82 36.62 3mv8 h ILE 1 CO 0.00 0.00 -0.78 -1.10 -1.05 0.00 0.00 178.15 175.22 3mv8 s GLN 2 N -6.01 0.77 -0.06 0.16 -0.21 -1.26 -4.66 119.66 108.38 3mv8 s GLN 2 Ca -0.16 -0.62 0.03 0.00 0.02 0.00 0.00 55.36 54.63 3mv8 s GLN 2 Cb 0.08 -0.72 0.00 0.00 1.00 0.00 0.00 33.01 33.37 3mv8 s GLN 2 CO 0.65 0.18 -0.16 1.03 -2.12 0.00 0.00 175.29 174.87 3mv8 s ARG 3 N -0.96 1.91 0.28 2.91 0.52 -0.12 -4.94 118.95 118.55 3mv8 s ARG 3 Ca -0.00 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 3mv8 s ARG 3 Cb -0.07 -1.58 -0.09 0.00 0.52 0.00 0.00 34.95 33.73 3mv8 s ARG 3 CO 0.01 0.14 0.95 -0.08 0.02 0.00 0.00 175.30 176.33 3mv8 s THR 4 N 0.34 4.12 0.16 0.02 -1.32 -1.26 -1.78 115.64 115.91 3mv8 s THR 4 Ca -0.10 1.95 -0.31 0.00 -1.21 0.00 0.00 61.69 62.02 3mv8 s THR 4 Cb -0.14 -4.17 -0.09 0.00 -1.51 0.00 0.00 72.50 66.59 3mv8 s THR 4 CO 0.04 0.33 1.42 -2.16 -2.21 0.00 0.00 174.62 172.04 3mv8 s PRO 5 N -1.60 4.30 0.29 7.08 0.04 -1.26 -4.32 135.00 139.53 3mv8 s PRO 5 Ca 0.45 2.17 -0.23 0.00 0.04 0.00 0.00 61.00 63.43 3mv8 s PRO 5 Cb -0.23 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 3mv8 s PRO 5 CO 0.28 -0.44 0.85 0.15 0.04 0.00 0.00 177.00 177.88 3mv8 s LYS 6 N 0.71 4.42 -0.02 4.56 -0.14 0.15 -4.91 119.74 124.51 3mv8 s LYS 6 Ca 0.64 1.11 0.01 0.00 -1.36 0.00 0.00 55.97 56.37 3mv8 s LYS 6 Cb -0.39 -2.79 0.01 0.00 -1.68 0.00 0.00 37.83 32.98 3mv8 s LYS 6 CO 0.33 0.31 -0.02 0.42 -0.76 0.00 0.00 175.35 175.63 3mv8 s ILE 7 N -1.61 0.30 -0.04 2.17 1.01 -1.26 -1.37 121.20 120.40 3mv8 s ILE 7 Ca 0.48 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.09 3mv8 s ILE 7 Cb -0.17 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 41.99 3mv8 s ILE 7 CO 0.22 0.14 -0.08 -1.10 0.00 0.00 0.00 174.94 174.12 3mv8 s GLN 8 N 0.55 0.99 -0.10 2.79 -0.21 -0.71 -5.01 119.66 117.95 3mv8 s GLN 8 Ca -0.06 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.07 3mv8 s GLN 8 Cb -0.09 -0.92 -0.03 0.00 1.00 0.00 0.00 33.01 32.97 3mv8 s GLN 8 CO -0.01 0.03 -0.05 0.08 -2.12 0.00 0.00 175.29 173.22 3mv8 s VAL 9 N 0.51 3.81 0.01 1.09 1.01 -1.26 -0.73 120.40 124.84 3mv8 s VAL 9 Ca -0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 3mv8 s VAL 9 Cb -0.12 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.76 3mv8 s VAL 9 CO 0.01 0.56 1.00 -0.72 0.00 0.00 0.00 175.10 175.95 3mv8 s TYR 10 N -0.35 -0.22 0.25 5.22 -0.85 0.22 -4.71 117.35 116.90 3mv8 s TYR 10 Ca 0.05 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 3mv8 s TYR 10 Cb -0.12 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3mv8 s TYR 10 CO 0.02 -0.54 0.43 -1.54 -1.52 0.00 0.00 175.55 172.40 3mv8 s SER 11 N -2.62 6.35 0.03 -0.18 1.04 -1.26 0.80 113.70 117.86 3mv8 s SER 11 Ca 0.09 0.37 -0.22 0.00 0.48 0.00 0.00 55.95 56.66 3mv8 s SER 11 Cb -0.00 -1.99 -0.16 0.00 0.10 0.00 0.00 66.02 63.97 3mv8 s SER 11 CO -0.05 -0.11 1.35 -0.09 0.98 0.00 0.00 173.24 175.31 3mv8 h ARG 12 N 1.54 0.25 -6.19 4.02 2.43 -1.76 -3.45 114.38 111.22 3mv8 h ARG 12 Ca -0.49 -0.12 -0.55 0.00 -0.81 0.00 0.00 59.98 58.01 3mv8 h ARG 12 Cb 1.20 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.67 3mv8 h ARG 12 CO 0.65 0.64 -0.61 -1.01 -1.51 0.00 0.00 179.97 178.13 3mv8 s HIS 13 N -4.39 2.77 0.29 2.20 3.76 -1.26 -5.05 115.29 113.60 3mv8 s HIS 13 Ca -0.15 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 3mv8 s HIS 13 Cb 0.04 -1.29 -0.12 0.00 1.11 0.00 0.00 32.58 32.32 3mv8 s HIS 13 CO 0.73 0.57 1.50 -2.30 -0.85 0.00 0.00 174.74 174.38 3mv8 n PRO 14 N -0.98 2.45 -2.06 8.40 -0.02 -1.26 -4.89 135.00 136.64 3mv8 n PRO 14 Ca -0.06 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 3mv8 n PRO 14 Cb 0.59 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3mv8 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mv8 s ALA 15 N -0.22 3.67 -0.06 3.55 0.00 -1.26 -5.03 121.76 122.41 3mv8 s ALA 15 Ca 0.63 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.84 3mv8 s ALA 15 Cb -0.55 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.02 3mv8 s ALA 15 CO 0.51 -0.69 -0.06 -2.00 0.00 0.00 0.00 175.76 173.53 3mv8 s GLU 16 N 1.07 1.04 0.07 0.00 2.12 -1.26 -5.06 118.70 116.68 3mv8 s GLU 16 Ca 0.67 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.90 3mv8 s GLU 16 Cb -0.40 -1.06 0.24 0.00 0.26 0.00 0.00 34.13 33.17 3mv8 s GLU 16 CO 0.31 -0.12 1.10 0.09 -0.54 0.00 0.00 175.26 176.10 3mv8 n ASN 17 N 4.30 0.12 -0.01 -1.70 5.03 -1.26 -1.20 115.26 120.54 3mv8 n ASN 17 Ca -0.20 0.52 0.01 0.00 0.87 0.00 0.00 54.58 55.78 3mv8 n ASN 17 Cb 0.51 -0.53 -0.01 0.00 -1.02 0.00 0.00 39.78 38.73 3mv8 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mv8 n GLY 18 N -1.43 0.64 3.69 7.41 0.00 -1.26 -4.40 105.19 109.85 3mv8 n GLY 18 Ca -0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3mv8 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mv8 s LYS 19 N -1.08 4.15 0.42 1.61 2.36 -0.34 -5.00 119.74 121.86 3mv8 s LYS 19 Ca 0.01 -0.09 -0.26 0.00 -2.55 0.00 0.00 55.97 53.08 3mv8 s LYS 19 Cb 0.01 -3.50 -0.10 0.00 -1.05 0.00 0.00 37.83 33.20 3mv8 s LYS 19 CO 0.07 0.11 1.34 0.45 1.55 0.00 0.00 175.35 178.87 3mv8 n SER 20 N 4.06 2.91 -1.16 1.43 2.88 -1.26 -4.37 113.62 118.11 3mv8 n SER 20 Ca -0.13 1.13 -0.01 0.00 -1.33 0.00 0.00 58.87 58.53 3mv8 n SER 20 Cb 0.52 -1.54 -0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3mv8 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3mv8 n ASN 21 N 0.16 -0.11 -4.17 -3.46 2.85 0.22 -5.00 115.26 105.75 3mv8 n ASN 21 Ca 0.05 -1.15 -0.26 0.00 -0.11 0.00 0.00 54.58 53.11 3mv8 n ASN 21 Cb 0.40 0.21 -0.16 0.00 1.24 0.00 0.00 39.78 41.47 3mv8 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3mv8 s PHE 22 N -4.90 1.70 -0.26 1.20 0.08 -1.26 -2.05 117.98 112.48 3mv8 s PHE 22 Ca 0.02 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.56 3mv8 s PHE 22 Cb -0.00 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 3mv8 s PHE 22 CO 0.02 -0.09 0.23 -1.17 -0.10 0.00 0.00 175.22 174.12 3mv8 s LEU 23 N -0.25 4.05 -0.11 -0.37 2.96 0.87 -1.86 118.68 123.97 3mv8 s LEU 23 Ca 0.03 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3mv8 s LEU 23 Cb -0.09 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3mv8 s LEU 23 CO 0.00 -0.06 0.01 0.20 -1.32 0.00 0.00 176.35 175.18 3mv8 s ASN 24 N 1.55 5.25 -0.26 3.68 0.02 0.24 -2.14 114.94 123.27 3mv8 s ASN 24 Ca 0.09 0.11 0.00 0.00 -1.02 0.00 0.00 52.86 52.05 3mv8 s ASN 24 Cb -0.15 -1.58 0.07 0.00 0.02 0.00 0.00 41.25 39.61 3mv8 s ASN 24 CO 0.09 0.33 0.01 0.00 0.02 0.00 0.00 177.10 177.55 3mv8 s TYR 26 N 1.45 3.27 -0.15 0.00 5.04 0.09 -1.42 117.35 125.64 3mv8 s TYR 26 Ca 0.01 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3mv8 s TYR 26 Cb -0.18 -2.47 -0.01 0.00 0.35 0.00 0.00 41.96 39.65 3mv8 s TYR 26 CO -0.11 -0.13 -0.15 0.14 -1.34 0.00 0.00 175.55 173.96 3mv8 s VAL 27 N 1.70 2.76 0.18 3.14 -7.23 -0.83 -1.75 120.40 118.38 3mv8 s VAL 27 Ca 0.13 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.49 3mv8 s VAL 27 Cb -0.15 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 3mv8 s VAL 27 CO 0.09 0.52 0.23 -0.94 -0.31 0.00 0.00 175.10 174.69 3mv8 s SER 28 N 0.68 0.10 -0.66 4.85 1.04 -0.47 -1.58 113.70 117.67 3mv8 s SER 28 Ca -0.07 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3mv8 s SER 28 Cb -0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3mv8 s SER 28 CO 0.02 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3mv8 n GLY 29 N -0.23 0.55 3.66 7.32 0.00 -0.71 0.33 105.19 116.10 3mv8 n GLY 29 Ca -0.04 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 3mv8 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mv8 s PHE 30 N -2.29 2.78 -0.28 1.61 -0.12 -1.18 -4.24 117.98 114.27 3mv8 s PHE 30 Ca 0.00 -0.18 -0.20 0.00 -0.05 0.00 0.00 56.93 56.50 3mv8 s PHE 30 Cb 0.00 -1.30 0.08 0.00 -0.63 0.00 0.00 43.02 41.17 3mv8 s PHE 30 CO 0.00 0.56 0.74 -1.58 -0.05 0.00 0.00 175.22 174.88 3mv8 s HIS 31 N -1.98 -0.90 0.39 3.49 2.46 -0.74 -1.01 115.29 117.01 3mv8 s HIS 31 Ca 0.29 1.94 -0.07 0.00 0.47 0.00 0.00 55.06 57.70 3mv8 s HIS 31 Cb -0.08 0.47 0.10 0.00 -0.13 0.00 0.00 32.58 32.93 3mv8 s HIS 31 CO 0.19 -0.44 0.37 -0.35 -2.47 0.00 0.00 174.74 172.04 3mv8 n PRO 32 N 3.55 -1.55 0.13 2.88 -0.04 -1.26 -0.94 135.00 137.76 3mv8 n PRO 32 Ca -0.17 -0.59 0.12 0.00 -0.04 0.00 0.00 63.50 62.82 3mv8 n PRO 32 Cb 0.57 -0.53 0.25 0.00 -0.04 0.00 0.00 33.50 33.75 3mv8 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mv8 h SER 33 N -1.45 0.00 -2.96 3.54 4.64 -2.00 -3.45 113.55 111.86 3mv8 h SER 33 Ca -0.14 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.60 3mv8 h SER 33 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3mv8 h SER 33 CO 0.09 0.02 0.78 -1.81 -0.87 0.00 0.00 176.83 175.04 3mv8 s ASP 34 N -5.04 6.89 -0.02 4.97 -0.00 -1.26 -5.01 116.67 117.20 3mv8 s ASP 34 Ca 0.08 2.09 -0.13 0.00 -0.00 0.00 0.00 52.55 54.58 3mv8 s ASP 34 Cb 0.10 -2.56 0.02 0.00 -0.00 0.00 0.00 42.92 40.48 3mv8 s ASP 34 CO 0.66 -0.67 0.28 -0.51 -0.00 0.00 0.00 175.17 174.93 3mv8 s ILE 35 N 2.13 0.06 -0.14 0.77 2.07 -1.26 -4.59 121.20 120.24 3mv8 s ILE 35 Ca 0.62 -0.47 0.02 0.00 -1.41 0.00 0.00 60.65 59.42 3mv8 s ILE 35 Cb -0.31 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.71 3mv8 s ILE 35 CO 0.26 -0.26 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.13 3mv8 s GLU 36 N -1.21 3.09 -0.05 3.50 2.12 -0.14 -5.00 118.70 121.01 3mv8 s GLU 36 Ca -0.13 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.39 3mv8 s GLU 36 Cb -0.05 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 31.89 3mv8 s GLU 36 CO 0.04 0.04 -0.07 0.08 -0.54 0.00 0.00 175.26 174.81 3mv8 s VAL 37 N 0.70 0.71 -0.00 3.70 1.01 -1.26 -0.98 120.40 124.27 3mv8 s VAL 37 Ca -0.09 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3mv8 s VAL 37 Cb -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3mv8 s VAL 37 CO 0.01 0.26 -0.06 -1.81 0.00 0.00 0.00 175.10 173.50 3mv8 s ASP 38 N 0.72 0.70 0.19 3.32 1.01 0.30 -4.99 116.67 117.91 3mv8 s ASP 38 Ca -0.11 -0.12 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 3mv8 s ASP 38 Cb -0.14 -0.07 -0.06 0.00 1.01 0.00 0.00 42.92 43.66 3mv8 s ASP 38 CO 0.01 0.07 0.45 -0.76 0.21 0.00 0.00 175.17 175.15 3mv8 s LEU 39 N -0.18 4.22 0.03 1.23 1.02 -1.26 0.41 118.68 124.15 3mv8 s LEU 39 Ca 0.02 0.71 0.05 0.00 0.02 0.00 0.00 54.13 54.93 3mv8 s LEU 39 Cb -0.02 -3.45 -0.02 0.00 0.02 0.00 0.00 46.19 42.71 3mv8 s LEU 39 CO -0.00 -0.01 -0.15 -0.76 0.02 0.00 0.00 176.35 175.44 3mv8 s LEU 40 N -2.80 2.15 -0.21 1.79 1.43 0.12 -1.65 118.68 119.51 3mv8 s LEU 40 Ca 0.43 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3mv8 s LEU 40 Cb -0.12 -0.69 0.04 0.00 0.03 0.00 0.00 46.19 45.45 3mv8 s LEU 40 CO 0.24 0.08 -0.16 -0.75 0.23 0.00 0.00 176.35 175.99 3mv8 s LYS 41 N -1.03 2.61 -1.51 1.70 2.20 0.13 -2.29 119.74 121.55 3mv8 s LYS 41 Ca 0.03 -1.00 -0.13 0.00 -0.36 0.00 0.00 55.97 54.51 3mv8 s LYS 41 Cb -0.08 -2.65 0.07 0.00 -1.51 0.00 0.00 37.83 33.67 3mv8 s LYS 41 CO 0.01 -0.36 1.02 0.09 -0.36 0.00 0.00 175.35 175.76 3mv8 n ASN 42 N 4.57 -5.11 0.00 1.43 5.03 0.55 -1.47 115.26 120.26 3mv8 n ASN 42 Ca -0.18 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.53 3mv8 n ASN 42 Cb 0.47 -4.08 0.00 0.00 -1.02 0.00 0.00 39.78 35.15 3mv8 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mv8 n GLY 43 N -1.75 2.73 3.89 7.41 0.00 -1.26 -5.02 105.19 111.19 3mv8 n GLY 43 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3mv8 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mv8 s GLU 44 N -0.22 3.54 0.13 1.61 0.41 -0.54 -5.01 118.70 118.62 3mv8 s GLU 44 Ca 0.00 -0.16 -0.31 0.00 -0.41 0.00 0.00 54.97 54.09 3mv8 s GLU 44 Cb 0.00 -3.06 -0.08 0.00 -1.78 0.00 0.00 34.13 29.20 3mv8 s GLU 44 CO 0.00 0.64 1.37 0.50 -0.49 0.00 0.00 175.26 177.28 3mv8 s ARG 45 N -1.91 4.34 -0.13 1.61 3.52 -1.26 0.19 118.95 125.31 3mv8 s ARG 45 Ca 0.29 2.07 -0.24 0.00 -0.13 0.00 0.00 55.73 57.72 3mv8 s ARG 45 Cb -0.13 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 3mv8 s ARG 45 CO 0.18 -0.39 0.73 -1.50 -0.81 0.00 0.00 175.30 173.51 3mv8 s ILE 46 N 0.87 4.98 0.00 4.11 -1.16 -0.66 -4.84 121.20 124.51 3mv8 s ILE 46 Ca 0.63 1.46 0.00 0.00 -0.51 0.00 0.00 60.65 62.23 3mv8 s ILE 46 Cb -0.37 -4.06 0.00 0.00 0.61 0.00 0.00 42.46 38.65 3mv8 s ILE 46 CO 0.32 0.14 0.46 1.21 -2.81 0.00 0.00 174.94 174.26 3mv8 n GLU 47 N 4.56 0.00 -3.37 3.50 4.07 -1.26 -4.54 120.64 123.59 3mv8 n GLU 47 Ca 0.01 0.15 -0.46 0.00 -0.06 0.00 0.00 57.16 56.80 3mv8 n GLU 47 Cb 0.50 -0.96 -0.03 0.00 -0.06 0.00 0.00 31.44 30.90 3mv8 n GLU 47 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3mv8 s LYS 48 N -0.91 3.57 -0.06 5.31 1.02 -1.26 -5.03 119.74 122.38 3mv8 s LYS 48 Ca 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 55.97 53.38 3mv8 s LYS 48 Cb 0.00 -4.37 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 3mv8 s LYS 48 CO 0.00 -1.27 0.15 0.08 -0.92 0.00 0.00 175.35 173.38 3mv8 s VAL 49 N -0.04 5.35 0.20 3.17 1.01 -1.26 -4.96 120.40 123.86 3mv8 s VAL 49 Ca 0.19 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3mv8 s VAL 49 Cb -0.11 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3mv8 s VAL 49 CO -0.08 0.46 0.26 -1.61 0.00 0.00 0.00 175.10 174.12 3mv8 s GLU 50 N -1.51 3.24 0.05 2.72 8.01 -1.03 -4.99 118.70 125.19 3mv8 s GLU 50 Ca 0.21 -0.78 0.02 0.00 0.01 0.00 0.00 54.97 54.43 3mv8 s GLU 50 Cb -0.12 -2.81 -0.03 0.00 -4.31 0.00 0.00 34.13 26.86 3mv8 s GLU 50 CO 0.12 0.47 -0.07 -3.38 0.01 0.00 0.00 175.26 172.40 3mv8 s HIS 51 N -1.88 0.66 0.69 1.61 -3.43 -1.26 -1.64 115.29 110.03 3mv8 s HIS 51 Ca 0.33 -0.57 -0.11 0.00 -0.80 0.00 0.00 55.06 53.91 3mv8 s HIS 51 Cb -0.10 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.66 3mv8 s HIS 51 CO 0.27 -0.11 1.06 -1.54 -2.00 0.00 0.00 174.74 172.42 3mv8 s SER 52 N -1.78 5.39 0.48 7.38 1.04 -0.41 -4.98 113.70 120.82 3mv8 s SER 52 Ca -0.07 1.65 -0.23 0.00 0.48 0.00 0.00 55.95 57.77 3mv8 s SER 52 Cb -0.08 -2.50 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 3mv8 s SER 52 CO -0.01 -1.44 1.25 -1.81 0.98 0.00 0.00 173.24 172.22 3mv8 s ASP 53 N -3.66 5.92 0.16 7.02 1.01 -1.26 -4.49 116.67 121.36 3mv8 s ASP 53 Ca 0.59 2.52 -0.31 0.00 0.71 0.00 0.00 52.55 56.06 3mv8 s ASP 53 Cb -0.14 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.08 3mv8 s ASP 53 CO 0.53 -1.11 1.43 -0.22 0.21 0.00 0.00 175.17 176.01 3mv8 s LEU 54 N -3.06 4.38 0.00 1.23 2.96 -1.26 -4.83 118.68 118.10 3mv8 s LEU 54 Ca 0.65 2.46 0.02 0.00 -0.22 0.00 0.00 54.13 57.04 3mv8 s LEU 54 Cb -0.34 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.74 3mv8 s LEU 54 CO 0.42 -0.69 0.14 -0.24 -1.32 0.00 0.00 176.35 174.66 3mv8 n SER 55 N 3.51 -0.36 -4.07 3.68 2.88 -1.16 -5.04 113.62 113.06 3mv8 n SER 55 Ca 0.11 -1.83 -0.08 0.00 -1.33 0.00 0.00 58.87 55.73 3mv8 n SER 55 Cb 0.41 0.77 -0.10 0.00 -0.75 0.00 0.00 64.21 64.54 3mv8 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mv8 s PHE 56 N -3.05 0.50 0.78 0.66 -0.12 -1.26 -1.75 117.98 113.74 3mv8 s PHE 56 Ca 0.15 -0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 56.08 3mv8 s PHE 56 Cb 0.00 -0.35 0.15 0.00 -0.63 0.00 0.00 43.02 42.19 3mv8 s PHE 56 CO 0.10 -0.31 1.07 -1.12 -0.05 0.00 0.00 175.22 174.92 3mv8 s SER 57 N -2.54 4.02 0.52 1.98 0.01 0.12 -4.93 113.70 112.88 3mv8 s SER 57 Ca 0.01 -0.28 0.17 0.00 1.31 0.00 0.00 55.95 57.16 3mv8 s SER 57 Cb 0.03 0.01 1.30 0.00 0.21 0.00 0.00 66.02 67.58 3mv8 s SER 57 CO -0.07 -2.10 2.15 0.11 0.41 0.00 0.00 173.24 173.74 3mv8 h LYS 58 N -0.79 0.00 -0.24 12.44 1.57 -2.03 -0.58 116.57 126.94 3mv8 h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3mv8 h LYS 58 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3mv8 h LYS 58 CO 0.38 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.86 3mv8 n ASP 59 N -4.50 1.48 0.00 0.86 5.75 -1.26 -4.91 116.55 113.97 3mv8 n ASP 59 Ca -0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3mv8 n ASP 59 Cb 0.11 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3mv8 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3mv8 n TRP 60 N 0.27 0.00 -2.45 2.11 7.02 -0.22 -5.03 117.44 119.14 3mv8 n TRP 60 Ca 0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.24 3mv8 n TRP 60 Cb 0.25 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.12 3mv8 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3mv8 s SER 61 N -3.29 6.39 0.43 -0.99 1.04 -1.26 -4.58 113.70 111.44 3mv8 s SER 61 Ca 0.00 2.08 -0.10 0.00 0.48 0.00 0.00 55.95 58.40 3mv8 s SER 61 Cb 0.00 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 3mv8 s SER 61 CO 0.00 -0.75 0.80 -0.36 0.98 0.00 0.00 173.24 173.91 3mv8 s PHE 62 N -1.74 3.49 0.05 5.02 0.08 -0.18 0.12 117.98 124.81 3mv8 s PHE 62 Ca 0.64 1.07 -0.15 0.00 0.12 0.00 0.00 56.93 58.61 3mv8 s PHE 62 Cb -0.22 -2.47 0.02 0.00 -0.57 0.00 0.00 43.02 39.78 3mv8 s PHE 62 CO 0.27 -0.17 0.33 1.52 -0.10 0.00 0.00 175.22 177.06 3mv8 s TYR 63 N -2.47 -0.13 0.18 0.36 -0.85 -0.72 -1.73 117.35 111.99 3mv8 s TYR 63 Ca 0.52 0.00 -0.24 0.00 -0.52 0.00 0.00 57.07 56.83 3mv8 s TYR 63 Cb -0.10 0.12 0.05 0.00 0.38 0.00 0.00 41.96 42.41 3mv8 s TYR 63 CO 0.34 -0.52 0.86 -0.48 -1.52 0.00 0.00 175.55 174.22 3mv8 s LEU 64 N -2.10 -0.24 -0.10 -3.49 0.05 -0.62 -2.98 118.68 109.21 3mv8 s LEU 64 Ca -0.04 -0.41 0.03 0.00 0.05 0.00 0.00 54.13 53.76 3mv8 s LEU 64 Cb -0.01 2.35 -0.01 0.00 -2.05 0.00 0.00 46.19 46.47 3mv8 s LEU 64 CO -0.04 -1.02 -0.21 -0.22 -0.55 0.00 0.00 176.35 174.32 3mv8 s LEU 65 N -2.89 2.29 -0.12 1.48 2.96 -1.26 -1.96 118.68 119.17 3mv8 s LEU 65 Ca 0.11 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3mv8 s LEU 65 Cb -0.03 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3mv8 s LEU 65 CO 0.02 0.18 0.01 -0.31 -1.32 0.00 0.00 176.35 174.93 3mv8 s TYR 66 N 0.21 3.15 -0.08 5.38 2.02 -0.51 -1.29 117.35 126.24 3mv8 s TYR 66 Ca -0.13 0.05 -0.17 0.00 -0.37 0.00 0.00 57.07 56.45 3mv8 s TYR 66 Cb -0.16 -1.89 0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3mv8 s TYR 66 CO 0.07 0.28 0.41 1.52 -1.57 0.00 0.00 175.55 176.27 3mv8 s TYR 67 N -0.32 -0.37 0.04 2.71 -0.85 -0.65 -0.08 117.35 117.82 3mv8 s TYR 67 Ca 0.07 0.76 -0.19 0.00 -0.52 0.00 0.00 57.07 57.18 3mv8 s TYR 67 Cb -0.12 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.43 3mv8 s TYR 67 CO 0.02 -0.36 0.43 -0.08 -1.52 0.00 0.00 175.55 174.04 3mv8 s THR 68 N -0.68 0.05 0.35 -3.49 -1.32 -0.91 -2.46 115.64 107.18 3mv8 s THR 68 Ca -0.08 -0.41 -0.27 0.00 -1.21 0.00 0.00 61.69 59.72 3mv8 s THR 68 Cb -0.04 -0.93 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 3mv8 s THR 68 CO 0.04 -0.23 1.13 -1.61 -2.21 0.00 0.00 174.62 171.73 3mv8 s GLU 69 N -2.35 4.32 0.04 7.08 2.02 -1.26 -0.09 118.70 128.46 3mv8 s GLU 69 Ca -0.06 1.78 -0.26 0.00 0.02 0.00 0.00 54.97 56.45 3mv8 s GLU 69 Cb -0.01 -2.87 0.06 0.00 0.10 0.00 0.00 34.13 31.42 3mv8 s GLU 69 CO -0.01 -0.07 0.61 -0.59 0.02 0.00 0.00 175.26 175.21 3mv8 s PHE 70 N -1.35 -0.55 -0.31 1.61 -0.12 -0.87 -4.84 117.98 111.55 3mv8 s PHE 70 Ca 0.52 0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 58.09 3mv8 s PHE 70 Cb -0.30 0.43 0.06 0.00 -0.63 0.00 0.00 43.02 42.58 3mv8 s PHE 70 CO 0.38 -0.69 0.00 0.99 -0.05 0.00 0.00 175.22 175.85 3mv8 s THR 71 N -2.32 2.83 0.32 -4.49 2.01 -1.26 -0.61 115.64 112.12 3mv8 s THR 71 Ca -0.06 -1.55 -0.29 0.00 0.31 0.00 0.00 61.69 60.10 3mv8 s THR 71 Cb -0.01 -2.69 -0.10 0.00 0.01 0.00 0.00 72.50 69.71 3mv8 s THR 71 CO -0.00 -0.18 1.34 -2.16 -0.69 0.00 0.00 174.62 172.93 3mv8 s PRO 72 N 1.19 4.33 0.34 4.92 0.04 -1.26 -5.01 135.00 139.55 3mv8 s PRO 72 Ca -0.04 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.29 3mv8 s PRO 72 Cb -0.20 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 3mv8 s PRO 72 CO -0.02 -0.25 0.06 0.95 0.04 0.00 0.00 177.00 177.78 3mv8 s THR 73 N -0.93 1.19 0.18 1.26 -4.23 -1.26 -4.11 115.64 107.74 3mv8 s THR 73 Ca 0.51 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.30 3mv8 s THR 73 Cb -0.40 -2.76 0.30 0.00 1.34 0.00 0.00 72.50 70.98 3mv8 s THR 73 CO 0.52 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 176.20 3mv8 h GLU 74 N 2.05 0.00 0.00 3.99 5.08 -1.97 -3.33 114.58 120.41 3mv8 h GLU 74 Ca -0.41 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 3mv8 h GLU 74 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3mv8 h GLU 74 CO 0.69 0.13 -0.39 0.87 -1.00 0.00 0.00 179.01 179.31 3mv8 h LYS 75 N 0.00 0.00 -6.69 2.33 1.57 -2.00 -3.48 116.57 108.30 3mv8 h LYS 75 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3mv8 h LYS 75 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.92 3mv8 h LYS 75 CO 0.02 0.81 0.57 -0.51 -0.57 0.00 0.00 179.45 179.76 3mv8 s ASP 76 N -6.28 7.06 -0.01 0.86 1.01 -1.25 -5.03 116.67 113.02 3mv8 s ASP 76 Ca -0.19 2.29 -0.18 0.00 0.71 0.00 0.00 52.55 55.18 3mv8 s ASP 76 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 3mv8 s ASP 76 CO 0.55 -0.38 0.51 -1.61 0.21 0.00 0.00 175.17 174.45 3mv8 s GLU 77 N -0.44 4.19 0.02 8.23 2.02 -1.26 -4.78 118.70 126.67 3mv8 s GLU 77 Ca 0.52 0.59 0.06 0.00 0.02 0.00 0.00 54.97 56.16 3mv8 s GLU 77 Cb -0.34 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 3mv8 s GLU 77 CO 0.38 0.48 -0.17 0.71 0.02 0.00 0.00 175.26 176.68 3mv8 s TYR 78 N -0.49 1.48 0.24 1.61 2.02 -1.26 -0.33 117.35 120.62 3mv8 s TYR 78 Ca 0.27 -0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 3mv8 s TYR 78 Cb -0.17 -0.91 0.02 0.00 -0.40 0.00 0.00 41.96 40.49 3mv8 s TYR 78 CO 0.15 0.03 0.58 0.00 -1.57 0.00 0.00 175.55 174.75 3mv8 s ALA 79 N -0.66 -0.89 -0.07 3.71 0.00 -0.97 0.32 121.76 123.20 3mv8 s ALA 79 Ca 0.05 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.67 3mv8 s ALA 79 Cb -0.07 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.95 3mv8 s ALA 79 CO 0.01 -0.90 -0.20 0.00 0.00 0.00 0.00 175.76 174.67 3mv8 s ARG 81 N 0.26 3.26 -0.04 0.00 3.52 0.17 -1.22 118.95 124.90 3mv8 s ARG 81 Ca -0.12 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 3mv8 s ARG 81 Cb -0.15 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 3mv8 s ARG 81 CO 0.05 0.05 -0.10 0.08 -0.81 0.00 0.00 175.30 174.57 3mv8 s VAL 82 N 0.75 0.93 0.05 7.11 1.01 -0.67 -0.54 120.40 129.04 3mv8 s VAL 82 Ca -0.06 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3mv8 s VAL 82 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3mv8 s VAL 82 CO 0.01 0.30 -0.23 0.21 0.00 0.00 0.00 175.10 175.38 3mv8 s ASN 83 N 0.48 2.81 -0.01 3.32 2.47 -0.16 -0.20 114.94 123.64 3mv8 s ASN 83 Ca -0.09 -0.57 -0.22 0.00 0.42 0.00 0.00 52.86 52.40 3mv8 s ASN 83 Cb -0.13 -0.24 0.05 0.00 -1.45 0.00 0.00 41.25 39.48 3mv8 s ASN 83 CO 0.02 0.20 0.48 -2.28 -3.72 0.00 0.00 177.10 171.80 3mv8 s HIS 84 N -0.82 -0.40 0.56 0.43 5.65 -1.26 -0.97 115.29 118.48 3mv8 s HIS 84 Ca 0.10 0.61 0.36 0.00 0.25 0.00 0.00 55.06 56.37 3mv8 s HIS 84 Cb -0.09 0.26 1.49 0.00 -1.18 0.00 0.00 32.58 33.05 3mv8 s HIS 84 CO 0.02 -0.52 1.74 -0.24 -0.65 0.00 0.00 174.74 175.09 3mv8 h VAL 85 N 3.32 0.31 0.00 0.89 3.04 -1.95 0.10 116.25 121.96 3mv8 h VAL 85 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3mv8 h VAL 85 Cb 1.17 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3mv8 h VAL 85 CO 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.96 3mv8 h THR 86 N 0.00 0.00 -3.24 3.17 1.03 -1.92 -3.45 112.91 108.50 3mv8 h THR 86 Ca 0.53 -0.40 -0.62 0.00 -0.01 0.00 0.00 66.41 65.91 3mv8 h THR 86 Cb 2.31 1.29 -0.15 0.00 -1.07 0.00 0.00 68.15 70.53 3mv8 h THR 86 CO -0.01 0.00 -0.56 -0.76 -0.01 0.00 0.00 175.52 174.18 3mv8 s LEU 87 N -4.68 3.82 0.19 0.00 1.43 0.35 -5.00 118.68 114.78 3mv8 s LEU 87 Ca 0.07 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3mv8 s LEU 87 Cb 0.10 -1.95 0.11 0.00 0.03 0.00 0.00 46.19 44.48 3mv8 s LEU 87 CO 0.51 0.21 1.54 0.28 0.23 0.00 0.00 176.35 179.12 3mv8 h SER 88 N 6.44 0.76 -4.91 2.29 0.02 -1.87 -3.44 113.55 112.84 3mv8 h SER 88 Ca -0.39 -0.35 -0.19 0.00 -0.84 0.00 0.00 61.79 60.02 3mv8 h SER 88 Cb 1.17 -0.21 -0.17 0.00 0.14 0.00 0.00 62.40 63.33 3mv8 h SER 88 CO 0.68 1.07 -0.70 0.00 -1.14 0.00 0.00 176.83 176.74 3mv8 s GLN 89 N -4.30 0.61 0.36 3.45 0.00 -1.26 -5.14 119.66 113.38 3mv8 s GLN 89 Ca -0.09 -1.07 -0.26 0.00 -0.00 0.00 0.00 55.36 53.94 3mv8 s GLN 89 Cb 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 33.01 32.98 3mv8 s GLN 89 CO 0.85 -0.04 1.06 -2.30 0.00 0.00 0.00 175.29 174.86 3mv8 n PRO 90 N 0.57 1.50 -3.56 9.60 -0.02 -1.26 -4.94 135.00 136.89 3mv8 n PRO 90 Ca -0.17 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 3mv8 n PRO 90 Cb 0.59 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 3mv8 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mv8 s LYS 91 N -1.82 3.56 -0.20 -0.52 2.47 0.72 -4.88 119.74 119.06 3mv8 s LYS 91 Ca 0.60 -0.59 -0.09 0.00 -1.56 0.00 0.00 55.97 54.32 3mv8 s LYS 91 Cb -0.61 -3.74 -0.05 0.00 -1.46 0.00 0.00 37.83 31.97 3mv8 s LYS 91 CO 0.59 -0.39 0.11 0.96 0.16 0.00 0.00 175.35 176.78 3mv8 s ILE 92 N 1.71 5.20 -0.16 5.43 -5.25 -1.26 -1.67 121.20 125.20 3mv8 s ILE 92 Ca 0.06 0.12 0.01 0.00 -0.99 0.00 0.00 60.65 59.84 3mv8 s ILE 92 Cb -0.17 -3.37 0.02 0.00 2.95 0.00 0.00 42.46 41.89 3mv8 s ILE 92 CO 0.10 0.44 -0.15 -0.69 -1.79 0.00 0.00 174.94 172.85 3mv8 s VAL 93 N 0.45 1.69 0.32 8.37 1.01 -0.35 -4.99 120.40 126.90 3mv8 s VAL 93 Ca 0.06 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 3mv8 s VAL 93 Cb -0.12 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 3mv8 s VAL 93 CO -0.01 0.44 1.17 -0.75 0.00 0.00 0.00 175.10 175.95 3mv8 s LYS 94 N 1.43 4.45 -0.09 2.72 2.20 -1.26 -1.16 119.74 128.03 3mv8 s LYS 94 Ca 0.04 1.93 -0.28 0.00 -0.36 0.00 0.00 55.97 57.30 3mv8 s LYS 94 Cb -0.13 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3mv8 s LYS 94 CO -0.11 -0.01 0.93 -0.46 -0.36 0.00 0.00 175.35 175.34 3mv8 s TRP 95 N -1.21 3.54 -0.02 4.03 -0.00 0.15 -4.84 118.94 120.59 3mv8 s TRP 95 Ca 0.48 1.51 0.03 0.00 -0.00 0.00 0.00 56.10 58.12 3mv8 s TRP 95 Cb -0.34 -3.09 -0.00 0.00 -0.00 0.00 0.00 33.47 30.04 3mv8 s TRP 95 CO 0.44 -0.13 -0.11 0.16 -0.00 0.00 0.00 176.95 177.31 3mv8 s ASP 96 N 1.05 1.38 0.00 5.86 3.84 -1.26 -4.64 116.67 122.90 3mv8 s ASP 96 Ca 0.46 -0.22 0.16 0.00 -0.00 0.00 0.00 52.55 52.96 3mv8 s ASP 96 Cb -0.19 -0.33 0.95 0.00 -1.38 0.00 0.00 42.92 41.98 3mv8 s ASP 96 CO 0.19 0.09 1.40 -2.11 -0.00 0.00 0.00 175.17 174.75 3mv8 n ARG 97 N 3.17 0.46 0.00 2.11 1.85 -1.26 -2.20 116.66 120.80 3mv8 n ARG 97 Ca -0.17 0.02 0.13 0.00 -1.00 0.00 0.00 57.85 56.83 3mv8 n ARG 97 Cb 0.54 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.76 3mv8 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3mv8 n ASP 98 N -1.05 1.99 0.00 2.89 8.00 -1.26 -4.85 116.55 122.27 3mv8 n ASP 98 Ca 0.12 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 54.03 3mv8 n ASP 98 Cb 0.07 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3mv8 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04