#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv7 s GLN 2 N 0.00 2.79 -0.09 0.38 -0.21 -1.26 -4.79 119.66 116.48 3mv7 s GLN 2 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 54.83 3mv7 s GLN 2 Cb 0.00 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.35 3mv7 s GLN 2 CO 0.00 0.64 -0.21 1.03 -2.12 0.00 0.00 175.29 174.63 3mv7 s ARG 3 N -1.36 2.62 0.31 2.91 0.52 0.57 -4.96 118.95 119.56 3mv7 s ARG 3 Ca 0.18 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 3mv7 s ARG 3 Cb -0.11 -2.03 -0.10 0.00 0.52 0.00 0.00 34.95 33.23 3mv7 s ARG 3 CO 0.08 0.16 0.92 -0.08 0.02 0.00 0.00 175.30 176.40 3mv7 s THR 4 N 0.38 4.23 0.23 0.02 -1.32 -1.26 -1.64 115.64 116.28 3mv7 s THR 4 Ca -0.16 1.80 -0.30 0.00 -1.21 0.00 0.00 61.69 61.82 3mv7 s THR 4 Cb -0.17 -4.02 -0.09 0.00 -1.51 0.00 0.00 72.50 66.71 3mv7 s THR 4 CO 0.07 0.18 1.28 -2.84 -2.21 0.00 0.00 174.62 171.09 3mv7 s PRO 5 N -1.98 4.42 0.26 7.08 0.02 -1.26 -4.36 135.00 139.18 3mv7 s PRO 5 Ca 0.49 2.04 -0.27 0.00 0.02 0.00 0.00 61.00 63.28 3mv7 s PRO 5 Cb -0.19 -3.17 -0.09 0.00 0.02 0.00 0.00 34.50 31.06 3mv7 s PRO 5 CO 0.24 -0.18 0.91 0.15 -0.33 0.00 0.00 177.00 177.79 3mv7 s LYS 6 N -0.58 4.67 -0.06 5.54 1.02 0.18 -4.91 119.74 125.61 3mv7 s LYS 6 Ca 0.54 1.34 0.01 0.00 0.02 0.00 0.00 55.97 57.87 3mv7 s LYS 6 Cb -0.36 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 3mv7 s LYS 6 CO 0.41 0.43 -0.05 0.42 -0.92 0.00 0.00 175.35 175.63 3mv7 s ILE 7 N -1.37 0.64 -0.06 2.17 1.01 -1.26 -1.13 121.20 121.20 3mv7 s ILE 7 Ca 0.44 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.99 3mv7 s ILE 7 Cb -0.22 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 3mv7 s ILE 7 CO 0.27 0.26 -0.23 -1.10 0.00 0.00 0.00 174.94 174.14 3mv7 s GLN 8 N 1.08 2.46 -0.16 2.79 -0.21 -0.63 -5.01 119.66 119.98 3mv7 s GLN 8 Ca -0.08 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.48 3mv7 s GLN 8 Cb -0.14 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.84 3mv7 s GLN 8 CO -0.01 0.32 -0.20 0.08 -2.12 0.00 0.00 175.29 173.36 3mv7 s VAL 9 N -0.03 2.01 0.11 1.09 1.01 -1.26 -1.51 120.40 121.82 3mv7 s VAL 9 Ca -0.06 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 3mv7 s VAL 9 Cb -0.14 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.52 3mv7 s VAL 9 CO 0.04 0.54 0.69 -0.72 0.00 0.00 0.00 175.10 175.65 3mv7 s TYR 10 N 1.09 -0.47 0.38 5.22 -0.85 -0.81 -4.52 117.35 117.38 3mv7 s TYR 10 Ca -0.01 0.27 -0.01 0.00 -0.52 0.00 0.00 57.07 56.81 3mv7 s TYR 10 Cb -0.14 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 3mv7 s TYR 10 CO -0.08 -0.77 0.60 -1.54 -1.52 0.00 0.00 175.55 172.24 3mv7 s SER 11 N -2.68 6.29 0.07 -0.18 1.04 -1.26 0.05 113.70 117.03 3mv7 s SER 11 Ca 0.03 0.56 -0.19 0.00 0.48 0.00 0.00 55.95 56.83 3mv7 s SER 11 Cb -0.01 -2.08 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 3mv7 s SER 11 CO -0.11 -0.36 1.44 -0.09 0.98 0.00 0.00 173.24 175.11 3mv7 h ARG 12 N 0.64 0.44 -6.19 4.02 2.43 -1.39 -3.46 114.38 110.88 3mv7 h ARG 12 Ca -0.49 -0.18 -0.58 0.00 -0.81 0.00 0.00 59.98 57.92 3mv7 h ARG 12 Cb 1.22 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 3mv7 h ARG 12 CO 0.61 0.71 -0.68 -1.01 -1.51 0.00 0.00 179.97 178.09 3mv7 s HIS 13 N -4.66 2.56 -0.10 2.20 3.76 -1.26 -5.02 115.29 112.77 3mv7 s HIS 13 Ca -0.14 -0.27 -0.35 0.00 -0.15 0.00 0.00 55.06 54.15 3mv7 s HIS 13 Cb 0.07 -1.15 -0.13 0.00 1.11 0.00 0.00 32.58 32.48 3mv7 s HIS 13 CO 0.76 0.64 1.80 -2.30 -0.85 0.00 0.00 174.74 174.79 3mv7 n PRO 14 N -0.82 1.92 -1.68 8.40 -0.02 -1.26 -4.84 135.00 136.70 3mv7 n PRO 14 Ca -0.06 0.70 -0.46 0.00 -2.02 0.00 0.00 63.50 61.67 3mv7 n PRO 14 Cb 0.60 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3mv7 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mv7 n ALA 15 N 5.88 1.39 -3.78 3.55 0.00 -1.26 -4.98 120.51 121.31 3mv7 n ALA 15 Ca 0.23 0.34 -0.24 0.00 0.00 0.00 0.00 53.44 53.77 3mv7 n ALA 15 Cb 0.26 -2.48 -0.17 0.00 0.00 0.00 0.00 19.45 17.05 3mv7 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mv7 s GLU 16 N 2.68 0.69 -0.07 0.00 2.56 -1.26 -5.11 118.70 118.19 3mv7 s GLU 16 Ca 0.85 0.00 -0.36 0.00 0.00 0.00 0.00 54.97 55.47 3mv7 s GLU 16 Cb -0.63 -1.19 -0.13 0.00 2.00 0.00 0.00 34.13 34.18 3mv7 s GLU 16 CO 0.43 -0.35 1.75 0.09 -0.56 0.00 0.00 175.26 176.63 3mv7 n ASN 17 N 5.12 3.02 0.00 -1.70 5.03 -1.26 -1.47 115.26 124.00 3mv7 n ASN 17 Ca -0.08 1.03 0.00 0.00 0.87 0.00 0.00 54.58 56.40 3mv7 n ASN 17 Cb 0.50 -1.32 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 3mv7 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mv7 n GLY 18 N 4.03 0.69 3.47 7.41 0.00 -0.51 -5.02 105.19 115.26 3mv7 n GLY 18 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3mv7 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv7 s LYS 19 N -0.24 3.61 0.46 1.61 3.01 -0.54 -5.01 119.74 122.64 3mv7 s LYS 19 Ca 0.00 -0.55 -0.24 0.00 -1.01 0.00 0.00 55.97 54.17 3mv7 s LYS 19 Cb 0.00 -2.87 -0.09 0.00 -1.01 0.00 0.00 37.83 33.86 3mv7 s LYS 19 CO 0.00 0.21 1.17 0.45 0.51 0.00 0.00 175.35 177.69 3mv7 n SER 20 N 3.59 1.96 -1.63 2.83 2.88 -1.26 -4.30 113.62 117.69 3mv7 n SER 20 Ca -0.18 1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 58.35 3mv7 n SER 20 Cb 0.52 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3mv7 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3mv7 n ASN 21 N -0.00 -0.64 -4.08 -3.46 2.85 -0.27 -5.00 115.26 104.66 3mv7 n ASN 21 Ca 0.09 -1.58 -0.27 0.00 -0.11 0.00 0.00 54.58 52.71 3mv7 n ASN 21 Cb 0.41 1.10 -0.17 0.00 1.24 0.00 0.00 39.78 42.37 3mv7 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3mv7 s PHE 22 N -5.66 1.75 -0.29 1.20 0.08 -1.26 -2.47 117.98 111.33 3mv7 s PHE 22 Ca 0.07 -0.65 -0.19 0.00 0.12 0.00 0.00 56.93 56.28 3mv7 s PHE 22 Cb -0.01 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 3mv7 s PHE 22 CO 0.05 -0.29 0.57 -1.17 -0.10 0.00 0.00 175.22 174.28 3mv7 s LEU 23 N 0.50 4.12 -0.09 -0.37 2.96 0.24 -0.86 118.68 125.18 3mv7 s LEU 23 Ca -0.14 0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3mv7 s LEU 23 Cb -0.16 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 3mv7 s LEU 23 CO 0.05 -0.40 0.03 0.20 -1.32 0.00 0.00 176.35 174.91 3mv7 s ASN 24 N 1.60 5.46 -0.29 3.68 0.02 0.11 -2.51 114.94 123.01 3mv7 s ASN 24 Ca 0.23 0.20 0.01 0.00 -1.02 0.00 0.00 52.86 52.29 3mv7 s ASN 24 Cb -0.15 -1.59 0.08 0.00 0.02 0.00 0.00 41.25 39.62 3mv7 s ASN 24 CO 0.11 0.38 0.02 0.00 0.02 0.00 0.00 177.10 177.63 3mv7 s TYR 26 N 1.32 3.12 -0.20 0.00 5.04 -0.57 -0.99 117.35 125.07 3mv7 s TYR 26 Ca 0.04 0.65 -0.07 0.00 -2.44 0.00 0.00 57.07 55.25 3mv7 s TYR 26 Cb -0.18 -3.42 -0.03 0.00 0.35 0.00 0.00 41.96 38.67 3mv7 s TYR 26 CO -0.12 -0.72 0.04 0.14 -1.34 0.00 0.00 175.55 173.55 3mv7 s VAL 27 N 3.15 4.46 0.12 3.14 -7.23 -0.55 -1.60 120.40 121.89 3mv7 s VAL 27 Ca 0.33 -0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 3mv7 s VAL 27 Cb -0.13 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 3mv7 s VAL 27 CO 0.16 0.43 0.13 -0.94 -0.31 0.00 0.00 175.10 174.58 3mv7 s SER 28 N 0.72 0.23 -0.90 4.85 1.04 -0.28 -0.95 113.70 118.41 3mv7 s SER 28 Ca 0.02 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3mv7 s SER 28 Cb -0.14 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3mv7 s SER 28 CO 0.02 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3mv7 n GLY 29 N -0.10 0.88 3.80 7.32 0.00 -0.39 0.50 105.19 117.20 3mv7 n GLY 29 Ca -0.08 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3mv7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mv7 s PHE 30 N -2.34 2.85 -0.29 1.61 -0.12 -1.18 -4.35 117.98 114.17 3mv7 s PHE 30 Ca 0.00 -0.30 -0.19 0.00 -0.05 0.00 0.00 56.93 56.39 3mv7 s PHE 30 Cb 0.00 -1.67 0.15 0.00 -0.63 0.00 0.00 43.02 40.87 3mv7 s PHE 30 CO 0.00 0.30 1.06 -1.58 -0.05 0.00 0.00 175.22 174.95 3mv7 s HIS 31 N -2.32 -0.45 0.00 3.49 2.46 -0.65 -0.73 115.29 117.08 3mv7 s HIS 31 Ca 0.38 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.86 3mv7 s HIS 31 Cb -0.05 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.73 3mv7 s HIS 31 CO 0.25 -0.22 0.00 -0.35 -2.47 0.00 0.00 174.74 171.95 3mv7 n PRO 32 N 3.06 -0.05 0.05 2.88 -0.04 -1.26 -0.31 135.00 139.32 3mv7 n PRO 32 Ca -0.16 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.25 3mv7 n PRO 32 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 3mv7 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mv7 h SER 33 N -0.40 0.00 -2.58 3.54 4.64 -2.00 -3.45 113.55 113.30 3mv7 h SER 33 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3mv7 h SER 33 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3mv7 h SER 33 CO 0.00 0.86 1.08 -0.62 -0.87 0.00 0.00 176.83 177.29 3mv7 s ASP 34 N -6.37 6.54 -0.01 4.97 -1.08 -1.26 -4.99 116.67 114.47 3mv7 s ASP 34 Ca -0.01 2.54 -0.13 0.00 -0.52 0.00 0.00 52.55 54.44 3mv7 s ASP 34 Cb 0.09 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 39.01 3mv7 s ASP 34 CO 0.81 -0.95 0.26 -0.51 0.52 0.00 0.00 175.17 175.30 3mv7 s ILE 35 N 3.24 0.06 -0.20 4.11 2.07 -1.26 -4.61 121.20 124.61 3mv7 s ILE 35 Ca 0.78 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 3mv7 s ILE 35 Cb -0.41 -0.56 0.03 0.00 0.13 0.00 0.00 42.46 41.65 3mv7 s ILE 35 CO 0.35 -0.29 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.24 3mv7 s GLU 36 N -1.33 2.45 -0.10 3.50 2.12 -0.35 -5.01 118.70 119.98 3mv7 s GLU 36 Ca -0.14 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.33 3mv7 s GLU 36 Cb -0.06 -2.52 -0.00 0.00 0.26 0.00 0.00 34.13 31.82 3mv7 s GLU 36 CO 0.04 -0.35 -0.23 0.08 -0.54 0.00 0.00 175.26 174.25 3mv7 s VAL 37 N 1.31 2.12 -0.00 3.70 1.01 -1.26 -0.40 120.40 126.88 3mv7 s VAL 37 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3mv7 s VAL 37 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3mv7 s VAL 37 CO -0.10 0.56 -0.15 -1.81 0.00 0.00 0.00 175.10 173.60 3mv7 s ASP 38 N 0.37 1.74 0.07 3.32 1.01 0.92 -4.98 116.67 119.12 3mv7 s ASP 38 Ca -0.18 -0.30 -0.07 0.00 0.71 0.00 0.00 52.55 52.71 3mv7 s ASP 38 Cb -0.18 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 3mv7 s ASP 38 CO 0.08 0.16 0.35 -0.76 0.21 0.00 0.00 175.17 175.21 3mv7 s LEU 39 N -0.48 4.34 0.07 1.23 1.02 -1.26 0.16 118.68 123.75 3mv7 s LEU 39 Ca 0.05 0.66 0.08 0.00 0.02 0.00 0.00 54.13 54.94 3mv7 s LEU 39 Cb -0.06 -2.97 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 3mv7 s LEU 39 CO -0.00 0.17 -0.22 -0.76 0.02 0.00 0.00 176.35 175.56 3mv7 s LEU 40 N -2.06 2.23 -0.23 1.79 1.43 -0.22 -0.36 118.68 121.25 3mv7 s LEU 40 Ca 0.33 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3mv7 s LEU 40 Cb -0.13 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.16 3mv7 s LEU 40 CO 0.19 0.13 -0.08 -0.75 0.23 0.00 0.00 176.35 176.08 3mv7 s LYS 41 N -1.51 1.84 -1.44 1.70 2.20 0.14 -2.39 119.74 120.28 3mv7 s LYS 41 Ca 0.08 -0.99 -0.09 0.00 -0.36 0.00 0.00 55.97 54.60 3mv7 s LYS 41 Cb -0.09 -2.58 0.05 0.00 -1.51 0.00 0.00 37.83 33.70 3mv7 s LYS 41 CO 0.03 -0.54 0.96 0.09 -0.36 0.00 0.00 175.35 175.53 3mv7 n ASN 42 N 4.64 -4.18 0.00 1.43 5.03 0.21 -2.17 115.26 120.22 3mv7 n ASN 42 Ca -0.13 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.58 3mv7 n ASN 42 Cb 0.45 -4.19 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 3mv7 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mv7 n GLY 43 N -1.70 3.16 3.78 7.41 0.00 -1.26 -5.04 105.19 111.54 3mv7 n GLY 43 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3mv7 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mv7 s GLU 44 N -0.43 3.66 0.26 1.61 2.12 -0.92 -5.00 118.70 120.01 3mv7 s GLU 44 Ca 0.00 -0.22 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 3mv7 s GLU 44 Cb 0.00 -3.21 -0.11 0.00 0.26 0.00 0.00 34.13 31.07 3mv7 s GLU 44 CO 0.00 0.57 1.56 0.50 -0.54 0.00 0.00 175.26 177.35 3mv7 s ARG 45 N -0.44 4.17 0.18 4.30 3.52 -1.26 0.24 118.95 129.66 3mv7 s ARG 45 Ca 0.11 2.49 -0.26 0.00 -0.13 0.00 0.00 55.73 57.94 3mv7 s ARG 45 Cb -0.12 -3.06 -0.08 0.00 -1.56 0.00 0.00 34.95 30.13 3mv7 s ARG 45 CO 0.02 -0.58 0.81 0.42 -0.81 0.00 0.00 175.30 175.16 3mv7 s ILE 46 N 0.20 4.32 -0.19 4.11 1.01 0.51 -4.82 121.20 126.34 3mv7 s ILE 46 Ca 0.64 1.79 -0.09 0.00 0.00 0.00 0.00 60.65 62.99 3mv7 s ILE 46 Cb -0.46 -4.18 -0.21 0.00 0.01 0.00 0.00 42.46 37.62 3mv7 s ILE 46 CO 0.44 0.51 0.11 -0.62 0.00 0.00 0.00 174.94 175.38 3mv7 n GLU 47 N 1.63 0.67 -0.70 2.79 1.02 -1.26 -4.57 120.64 120.22 3mv7 n GLU 47 Ca -0.05 0.31 -0.06 0.00 -0.02 0.00 0.00 57.16 57.35 3mv7 n GLU 47 Cb 0.48 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 3mv7 n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mv7 n LYS 48 N -3.76 1.38 -3.12 3.49 4.76 -1.26 -4.94 118.16 114.71 3mv7 n LYS 48 Ca -0.38 -0.50 -0.40 0.00 -2.87 0.00 0.00 58.31 54.17 3mv7 n LYS 48 Cb 0.93 -1.35 -0.05 0.00 -1.84 0.00 0.00 35.03 32.71 3mv7 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3mv7 s VAL 49 N -0.09 5.06 0.43 -0.18 1.01 -1.26 -4.86 120.40 120.51 3mv7 s VAL 49 Ca 0.22 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.50 3mv7 s VAL 49 Cb 0.12 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3mv7 s VAL 49 CO -0.01 0.20 0.61 -1.61 0.00 0.00 0.00 175.10 174.29 3mv7 s GLU 50 N 1.26 2.86 0.01 2.72 0.41 -0.73 -4.96 118.70 120.28 3mv7 s GLU 50 Ca 0.32 -0.98 -0.15 0.00 -0.41 0.00 0.00 54.97 53.75 3mv7 s GLU 50 Cb -0.16 -2.68 0.02 0.00 -1.78 0.00 0.00 34.13 29.53 3mv7 s GLU 50 CO 0.13 -0.30 0.31 -3.38 -0.49 0.00 0.00 175.26 171.54 3mv7 s HIS 51 N -2.43 -0.16 0.81 1.61 -3.43 -1.26 -1.37 115.29 109.07 3mv7 s HIS 51 Ca 0.52 0.15 -0.12 0.00 -0.80 0.00 0.00 55.06 54.82 3mv7 s HIS 51 Cb -0.10 0.10 0.08 0.00 -1.43 0.00 0.00 32.58 31.23 3mv7 s HIS 51 CO 0.34 -0.44 1.11 -1.54 -2.00 0.00 0.00 174.74 172.21 3mv7 s SER 52 N -1.65 4.36 0.23 7.38 1.04 -0.61 -5.00 113.70 119.44 3mv7 s SER 52 Ca -0.10 1.21 -0.30 0.00 0.48 0.00 0.00 55.95 57.24 3mv7 s SER 52 Cb -0.03 -1.91 -0.09 0.00 0.10 0.00 0.00 66.02 64.09 3mv7 s SER 52 CO 0.01 -2.04 1.13 -1.81 0.98 0.00 0.00 173.24 171.50 3mv7 s ASP 53 N -3.98 7.22 0.28 7.02 1.01 -1.26 -4.66 116.67 122.30 3mv7 s ASP 53 Ca 0.61 2.22 -0.30 0.00 0.71 0.00 0.00 52.55 55.79 3mv7 s ASP 53 Cb -0.14 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 3mv7 s ASP 53 CO 0.54 -0.22 1.48 -0.11 0.21 0.00 0.00 175.17 177.07 3mv7 n LEU 54 N 1.82 3.79 0.00 1.23 7.94 -1.26 -4.90 117.00 125.63 3mv7 n LEU 54 Ca 0.01 1.16 -0.05 0.00 -1.11 0.00 0.00 56.01 56.02 3mv7 n LEU 54 Cb 0.45 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 42.87 3mv7 n LEU 54 CO 0.54 -0.17 -0.00 -0.24 -1.11 0.00 0.00 177.39 176.41 3mv7 n SER 55 N 1.92 -0.27 -4.13 1.96 2.88 -1.14 -5.02 113.62 109.82 3mv7 n SER 55 Ca 0.09 -1.62 -0.13 0.00 -1.33 0.00 0.00 58.87 55.88 3mv7 n SER 55 Cb 0.35 0.58 -0.11 0.00 -0.75 0.00 0.00 64.21 64.28 3mv7 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mv7 s PHE 56 N -3.06 0.88 0.72 0.66 -0.12 -1.26 -1.54 117.98 114.26 3mv7 s PHE 56 Ca 0.11 -0.64 -0.01 0.00 -0.05 0.00 0.00 56.93 56.33 3mv7 s PHE 56 Cb 0.00 -0.50 0.13 0.00 -0.63 0.00 0.00 43.02 42.02 3mv7 s PHE 56 CO 0.08 -0.07 1.00 -1.12 -0.05 0.00 0.00 175.22 175.06 3mv7 s SER 57 N -2.20 4.34 0.58 1.98 0.01 0.76 -4.92 113.70 114.25 3mv7 s SER 57 Ca 0.00 -0.31 0.28 0.00 1.31 0.00 0.00 55.95 57.24 3mv7 s SER 57 Cb -0.04 -0.08 1.71 0.00 0.21 0.00 0.00 66.02 67.82 3mv7 s SER 57 CO -0.01 -1.87 2.18 0.50 0.41 0.00 0.00 173.24 174.45 3mv7 h LYS 58 N -0.55 0.00 -0.34 12.44 3.64 -2.02 0.24 116.57 129.98 3mv7 h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3mv7 h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3mv7 h LYS 58 CO 0.41 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.19 3mv7 n ASP 59 N -3.88 2.01 0.00 4.20 5.75 -1.26 -4.92 116.55 118.45 3mv7 n ASP 59 Ca -0.01 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3mv7 n ASP 59 Cb 0.20 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3mv7 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3mv7 n TRP 60 N 0.58 0.00 -2.78 2.11 7.02 0.84 -5.02 117.44 120.19 3mv7 n TRP 60 Ca 0.14 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.29 3mv7 n TRP 60 Cb 0.33 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.16 3mv7 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3mv7 s SER 61 N -3.43 6.90 0.53 -0.99 1.04 -1.26 -4.61 113.70 111.88 3mv7 s SER 61 Ca 0.00 1.66 -0.07 0.00 0.48 0.00 0.00 55.95 58.02 3mv7 s SER 61 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3mv7 s SER 61 CO 0.00 -0.38 0.87 -0.36 0.98 0.00 0.00 173.24 174.35 3mv7 s PHE 62 N -2.22 3.59 0.07 5.02 0.08 0.09 -0.17 117.98 124.43 3mv7 s PHE 62 Ca 0.61 0.98 -0.26 0.00 0.12 0.00 0.00 56.93 58.38 3mv7 s PHE 62 Cb -0.09 -2.45 0.07 0.00 -0.57 0.00 0.00 43.02 39.98 3mv7 s PHE 62 CO 0.15 -0.42 0.66 1.52 -0.10 0.00 0.00 175.22 177.03 3mv7 s TYR 63 N -2.89 -0.56 -0.15 0.36 -0.85 -0.59 -1.26 117.35 111.42 3mv7 s TYR 63 Ca 0.50 0.58 -0.34 0.00 -0.52 0.00 0.00 57.07 57.29 3mv7 s TYR 63 Cb -0.11 0.51 0.13 0.00 0.38 0.00 0.00 41.96 42.88 3mv7 s TYR 63 CO 0.48 -0.74 1.21 -0.48 -1.52 0.00 0.00 175.55 174.50 3mv7 s LEU 64 N -2.19 -0.13 -0.12 -3.49 2.34 -0.12 -2.87 118.68 112.09 3mv7 s LEU 64 Ca -0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 54.13 54.12 3mv7 s LEU 64 Cb -0.01 1.41 -0.03 0.00 -0.56 0.00 0.00 46.19 47.01 3mv7 s LEU 64 CO -0.05 -0.26 -0.05 -0.22 -1.06 0.00 0.00 176.35 174.71 3mv7 s LEU 65 N -2.33 3.23 -0.09 1.48 2.96 -1.26 -1.48 118.68 121.19 3mv7 s LEU 65 Ca 0.10 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3mv7 s LEU 65 Cb -0.00 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3mv7 s LEU 65 CO -0.05 0.25 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.88 3mv7 s TYR 66 N -0.15 3.00 0.03 5.38 2.02 -0.16 -1.58 117.35 125.88 3mv7 s TYR 66 Ca 0.03 0.00 -0.20 0.00 -0.37 0.00 0.00 57.07 56.53 3mv7 s TYR 66 Cb -0.13 -1.77 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3mv7 s TYR 66 CO 0.03 0.30 0.45 1.52 -1.57 0.00 0.00 175.55 176.28 3mv7 s TYR 67 N -0.62 -0.34 0.10 2.71 -0.85 -0.47 0.02 117.35 117.91 3mv7 s TYR 67 Ca 0.10 0.38 -0.25 0.00 -0.52 0.00 0.00 57.07 56.78 3mv7 s TYR 67 Cb -0.12 0.26 0.07 0.00 0.38 0.00 0.00 41.96 42.55 3mv7 s TYR 67 CO 0.02 -0.57 0.65 -0.08 -1.52 0.00 0.00 175.55 174.05 3mv7 s THR 68 N -2.21 0.00 0.47 -3.49 -1.32 -1.04 -1.77 115.64 106.28 3mv7 s THR 68 Ca -0.07 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.19 3mv7 s THR 68 Cb -0.01 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.90 3mv7 s THR 68 CO -0.00 0.00 1.12 -1.61 -2.21 0.00 0.00 174.62 171.91 3mv7 s GLU 69 N -3.19 3.74 -0.02 7.08 2.02 -1.26 -0.60 118.70 126.47 3mv7 s GLU 69 Ca -0.01 1.62 -0.29 0.00 0.02 0.00 0.00 54.97 56.32 3mv7 s GLU 69 Cb -0.01 -2.28 0.09 0.00 0.10 0.00 0.00 34.13 32.03 3mv7 s GLU 69 CO -0.08 -0.53 0.76 -0.59 0.02 0.00 0.00 175.26 174.83 3mv7 s PHE 70 N -1.69 -0.53 -0.30 1.61 -0.12 -1.03 -4.80 117.98 111.12 3mv7 s PHE 70 Ca 0.65 0.71 0.02 0.00 -0.05 0.00 0.00 56.93 58.27 3mv7 s PHE 70 Cb -0.24 0.47 0.09 0.00 -0.63 0.00 0.00 43.02 42.70 3mv7 s PHE 70 CO 0.29 -0.60 0.01 0.99 -0.05 0.00 0.00 175.22 175.86 3mv7 s THR 71 N -2.05 1.87 0.52 -4.49 2.01 -1.26 -1.11 115.64 111.13 3mv7 s THR 71 Ca -0.04 -1.85 -0.23 0.00 0.31 0.00 0.00 61.69 59.89 3mv7 s THR 71 Cb -0.00 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 3mv7 s THR 71 CO 0.00 -0.42 1.38 -2.16 -0.69 0.00 0.00 174.62 172.73 3mv7 s PRO 72 N 1.15 3.30 0.40 4.92 0.04 -1.26 -4.77 135.00 138.78 3mv7 s PRO 72 Ca 0.04 2.28 0.04 0.00 0.04 0.00 0.00 61.00 63.40 3mv7 s PRO 72 Cb -0.19 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 3mv7 s PRO 72 CO -0.10 -1.08 0.14 0.95 0.04 0.00 0.00 177.00 176.95 3mv7 s THR 73 N -1.28 0.58 0.17 1.26 -4.23 -1.26 -1.42 115.64 109.46 3mv7 s THR 73 Ca 0.68 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 3mv7 s THR 73 Cb -0.41 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 3mv7 s THR 73 CO 0.50 0.00 1.54 -0.33 -0.54 0.00 0.00 174.62 175.79 3mv7 h GLU 74 N 1.81 0.00 0.06 3.99 4.39 -1.99 -3.37 114.58 119.48 3mv7 h GLU 74 Ca -0.35 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.05 3mv7 h GLU 74 Cb 1.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 3mv7 h GLU 74 CO 0.56 0.65 -1.63 0.36 -1.16 0.00 0.00 179.01 177.79 3mv7 n LYS 75 N -3.58 0.66 -1.91 2.33 2.85 -1.26 -4.94 118.16 112.31 3mv7 n LYS 75 Ca -0.00 0.42 -0.42 0.00 -1.05 0.00 0.00 58.31 57.26 3mv7 n LYS 75 Cb 0.68 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 33.30 3mv7 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3mv7 s ASP 76 N -6.96 6.56 -0.11 -5.58 -0.00 -1.26 -5.01 116.67 104.31 3mv7 s ASP 76 Ca -0.26 2.65 -0.02 0.00 -0.00 0.00 0.00 52.55 54.93 3mv7 s ASP 76 Cb 0.06 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.92 40.36 3mv7 s ASP 76 CO 0.68 -0.84 -0.04 -1.83 -0.00 0.00 0.00 175.17 173.14 3mv7 s GLU 77 N 1.05 3.16 0.24 8.23 -1.05 -1.26 -4.69 118.70 124.38 3mv7 s GLU 77 Ca 0.70 -0.51 0.12 0.00 -0.15 0.00 0.00 54.97 55.13 3mv7 s GLU 77 Cb -0.44 -2.76 -0.05 0.00 -0.44 0.00 0.00 34.13 30.44 3mv7 s GLU 77 CO 0.32 0.51 -0.21 0.71 0.95 0.00 0.00 175.26 177.54 3mv7 s TYR 78 N -0.37 2.27 0.32 4.83 2.02 -1.26 0.65 117.35 125.79 3mv7 s TYR 78 Ca 0.06 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.28 3mv7 s TYR 78 Cb -0.12 -1.04 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 3mv7 s TYR 78 CO 0.02 0.61 0.61 0.00 -1.57 0.00 0.00 175.55 175.23 3mv7 s ALA 79 N -2.16 -0.35 -0.08 3.71 0.00 -1.01 -0.46 121.76 121.42 3mv7 s ALA 79 Ca 0.26 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3mv7 s ALA 79 Cb -0.06 0.93 0.01 0.00 0.00 0.00 0.00 23.12 24.00 3mv7 s ALA 79 CO 0.12 -0.91 -0.18 0.00 0.00 0.00 0.00 175.76 174.79 3mv7 s ARG 81 N 0.44 3.48 -0.07 0.00 3.52 0.41 -1.92 118.95 124.81 3mv7 s ARG 81 Ca -0.15 -0.59 0.05 0.00 -0.13 0.00 0.00 55.73 54.92 3mv7 s ARG 81 Cb -0.16 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3mv7 s ARG 81 CO 0.06 -0.07 -0.25 0.08 -0.81 0.00 0.00 175.30 174.31 3mv7 s VAL 82 N 1.18 2.05 -0.05 7.11 1.01 0.63 -0.06 120.40 132.26 3mv7 s VAL 82 Ca 0.02 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.02 3mv7 s VAL 82 Cb -0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3mv7 s VAL 82 CO -0.00 0.56 -0.25 0.21 0.00 0.00 0.00 175.10 175.62 3mv7 s ASN 83 N 0.02 3.10 -0.14 3.32 2.47 0.46 -0.06 114.94 124.10 3mv7 s ASN 83 Ca -0.09 -0.49 -0.29 0.00 0.42 0.00 0.00 52.86 52.41 3mv7 s ASN 83 Cb -0.15 -0.74 0.08 0.00 -1.45 0.00 0.00 41.25 38.98 3mv7 s ASN 83 CO 0.06 0.26 0.73 -2.28 -3.72 0.00 0.00 177.10 172.15 3mv7 s HIS 84 N -0.27 -0.68 0.61 0.43 5.65 -1.26 -1.21 115.29 118.56 3mv7 s HIS 84 Ca -0.00 1.37 0.28 0.00 0.25 0.00 0.00 55.06 56.96 3mv7 s HIS 84 Cb -0.13 0.36 1.43 0.00 -1.18 0.00 0.00 32.58 33.06 3mv7 s HIS 84 CO 0.03 -0.50 1.84 -0.24 -0.65 0.00 0.00 174.74 175.21 3mv7 h VAL 85 N 3.34 0.27 -0.00 0.89 3.04 -1.96 0.32 116.25 122.14 3mv7 h VAL 85 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3mv7 h VAL 85 Cb 1.15 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 3mv7 h VAL 85 CO 0.26 0.00 -0.02 1.07 -1.01 0.00 0.00 177.57 177.87 3mv7 n THR 86 N -3.51 0.00 -4.49 3.17 5.66 -1.26 -4.76 114.28 109.09 3mv7 n THR 86 Ca 0.08 -0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.74 3mv7 n THR 86 Cb 0.69 -0.46 -0.14 0.00 -1.55 0.00 0.00 70.33 68.87 3mv7 n THR 86 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3mv7 s LEU 87 N -2.75 2.80 0.27 1.09 1.43 0.11 -4.98 118.68 116.65 3mv7 s LEU 87 Ca 0.22 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3mv7 s LEU 87 Cb 0.20 -1.66 0.33 0.00 0.03 0.00 0.00 46.19 45.09 3mv7 s LEU 87 CO 0.49 0.11 1.59 0.77 0.23 0.00 0.00 176.35 179.55 3mv7 h SER 88 N 7.09 0.00 -4.01 2.29 4.64 -1.86 -3.43 113.55 118.28 3mv7 h SER 88 Ca -0.31 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.62 3mv7 h SER 88 Cb 1.19 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.11 3mv7 h SER 88 CO 0.58 0.62 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.32 3mv7 s GLN 89 N -3.50 1.03 0.17 4.77 -1.52 -1.26 -5.13 119.66 114.22 3mv7 s GLN 89 Ca -0.01 -1.30 -0.33 0.00 -1.95 0.00 0.00 55.36 51.77 3mv7 s GLN 89 Cb 0.12 -0.81 -0.16 0.00 -0.22 0.00 0.00 33.01 31.94 3mv7 s GLN 89 CO 0.76 0.14 1.16 -2.30 -0.25 0.00 0.00 175.29 174.80 3mv7 n PRO 90 N 0.31 1.13 -3.49 2.91 -0.02 -1.26 -4.89 135.00 129.69 3mv7 n PRO 90 Ca -0.14 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 3mv7 n PRO 90 Cb 0.58 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 3mv7 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mv7 s LYS 91 N -0.35 4.02 -0.17 -0.52 2.47 0.91 -4.89 119.74 121.22 3mv7 s LYS 91 Ca 0.74 -0.10 -0.02 0.00 -1.56 0.00 0.00 55.97 55.03 3mv7 s LYS 91 Cb -0.86 -3.63 -0.01 0.00 -1.46 0.00 0.00 37.83 31.87 3mv7 s LYS 91 CO 0.52 -0.17 -0.09 0.42 0.16 0.00 0.00 175.35 176.18 3mv7 s ILE 92 N 1.75 3.19 -0.11 5.43 1.01 -1.26 -0.27 121.20 130.93 3mv7 s ILE 92 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3mv7 s ILE 92 Cb -0.15 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.95 3mv7 s ILE 92 CO 0.09 0.49 -0.11 0.54 0.00 0.00 0.00 174.94 175.95 3mv7 s VAL 93 N 0.81 1.20 0.60 2.92 0.11 -0.81 -4.98 120.40 120.26 3mv7 s VAL 93 Ca -0.03 -0.43 -0.15 0.00 -2.93 0.00 0.00 61.98 58.43 3mv7 s VAL 93 Cb -0.15 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 3mv7 s VAL 93 CO 0.01 0.39 1.06 -0.54 -3.33 0.00 0.00 175.10 172.69 3mv7 s LYS 94 N 1.37 3.25 -0.61 1.54 1.02 -1.26 -1.47 119.74 123.58 3mv7 s LYS 94 Ca -0.00 1.22 -0.26 0.00 0.02 0.00 0.00 55.97 56.94 3mv7 s LYS 94 Cb -0.14 -2.02 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3mv7 s LYS 94 CO -0.05 -0.87 1.12 -0.46 -0.92 0.00 0.00 175.35 174.17 3mv7 s TRP 95 N -2.46 2.60 -0.45 3.18 -0.00 0.39 -4.82 118.94 117.40 3mv7 s TRP 95 Ca 0.64 0.15 -0.19 0.00 -0.00 0.00 0.00 56.10 56.70 3mv7 s TRP 95 Cb -0.16 -4.40 0.03 0.00 -0.00 0.00 0.00 33.47 28.94 3mv7 s TRP 95 CO 0.38 -1.61 0.53 0.34 -0.00 0.00 0.00 176.95 176.59 3mv7 s ASP 96 N 3.11 6.23 -0.02 5.86 -1.08 -1.26 -4.77 116.67 124.75 3mv7 s ASP 96 Ca 0.37 -0.66 -0.22 0.00 -0.52 0.00 0.00 52.55 51.51 3mv7 s ASP 96 Cb -0.10 -2.26 -0.21 0.00 -1.46 0.00 0.00 42.92 38.89 3mv7 s ASP 96 CO 0.21 -0.70 1.13 0.08 0.52 0.00 0.00 175.17 176.41 3mv7 h ARG 97 N 8.82 0.27 -1.29 4.34 0.11 -1.94 -3.17 114.38 121.52 3mv7 h ARG 97 Ca -0.26 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3mv7 h ARG 97 Cb 1.10 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3mv7 h ARG 97 CO 0.86 0.90 0.00 -3.47 0.10 0.00 0.00 179.97 178.36 3mv7 n ASP 98 N -4.46 2.49 0.00 0.08 2.03 -1.26 -4.94 116.55 110.49 3mv7 n ASP 98 Ca -0.09 -1.60 0.12 0.00 0.52 0.00 0.00 54.79 53.74 3mv7 n ASP 98 Cb 0.50 -0.43 0.71 0.00 -0.72 0.00 0.00 41.12 41.18 3mv7 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08