#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgk s GLN 2 N 0.00 1.09 -0.06 9.51 -0.21 -1.26 -4.19 119.66 124.54 1vgk s GLN 2 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.08 1vgk s GLN 2 Cb 0.00 -1.00 0.02 0.00 1.00 0.00 0.00 33.01 33.03 1vgk s GLN 2 CO 0.00 0.09 -0.09 1.03 -2.12 0.00 0.00 175.29 174.21 1vgk s ARG 3 N 0.31 1.32 0.36 2.91 0.52 0.26 -4.92 118.95 119.71 1vgk s ARG 3 Ca -0.05 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 54.66 1vgk s ARG 3 Cb -0.10 -1.18 -0.10 0.00 0.52 0.00 0.00 34.95 34.08 1vgk s ARG 3 CO 0.01 -0.04 0.92 0.95 0.02 0.00 0.00 175.30 177.16 1vgk s THR 4 N 0.86 4.34 0.41 0.02 -4.23 -1.26 -1.88 115.64 113.90 1vgk s THR 4 Ca -0.12 1.58 -0.26 0.00 -1.18 0.00 0.00 61.69 61.72 1vgk s THR 4 Cb -0.15 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.81 1vgk s THR 4 CO 0.01 -0.08 1.26 -2.16 -0.54 0.00 0.00 174.62 173.11 1vgk s PRO 5 N -2.61 3.97 0.14 3.99 0.04 -1.26 -4.38 135.00 134.89 1vgk s PRO 5 Ca 0.55 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 1vgk s PRO 5 Cb -0.14 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1vgk s PRO 5 CO 0.18 -0.45 0.39 0.15 0.04 0.00 0.00 177.00 177.31 1vgk s LYS 6 N -2.27 3.65 -0.05 4.56 1.02 0.12 -4.90 119.74 121.87 1vgk s LYS 6 Ca 0.57 -0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.54 1vgk s LYS 6 Cb -0.36 -2.85 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1vgk s LYS 6 CO 0.45 0.47 -0.00 0.42 -0.92 0.00 0.00 175.35 175.77 1vgk s ILE 7 N -1.63 0.29 -0.05 2.17 1.01 -1.26 -1.49 121.20 120.24 1vgk s ILE 7 Ca 0.40 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1vgk s ILE 7 Cb -0.12 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1vgk s ILE 7 CO 0.23 0.21 -0.15 -1.10 0.00 0.00 0.00 174.94 174.13 1vgk s GLN 8 N 1.46 1.73 -0.12 2.79 -0.21 -0.39 -4.99 119.66 119.91 1vgk s GLN 8 Ca -0.03 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.85 1vgk s GLN 8 Cb -0.13 -1.47 0.00 0.00 1.00 0.00 0.00 33.01 32.41 1vgk s GLN 8 CO -0.03 0.16 -0.21 0.08 -2.12 0.00 0.00 175.29 173.17 1vgk s VAL 9 N 0.26 2.21 0.15 1.09 1.01 -1.26 -0.18 120.40 123.67 1vgk s VAL 9 Ca -0.08 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1vgk s VAL 9 Cb -0.13 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.44 1vgk s VAL 9 CO 0.03 0.55 0.99 -0.72 0.00 0.00 0.00 175.10 175.95 1vgk s TYR 10 N 0.59 -0.10 0.22 5.22 1.13 0.07 -4.55 117.35 119.93 1vgk s TYR 10 Ca -0.12 -0.20 0.05 0.00 -1.41 0.00 0.00 57.07 55.38 1vgk s TYR 10 Cb -0.17 0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1vgk s TYR 10 CO 0.03 -0.81 0.32 -1.54 -2.51 0.00 0.00 175.55 171.04 1vgk s SER 11 N -2.99 6.20 0.05 -0.18 1.04 -1.26 0.49 113.70 117.05 1vgk s SER 11 Ca 0.13 0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.39 1vgk s SER 11 Cb -0.01 -1.80 -0.14 0.00 0.10 0.00 0.00 66.02 64.16 1vgk s SER 11 CO 0.02 -0.03 1.47 -0.09 0.98 0.00 0.00 173.24 175.59 1vgk h ARG 12 N 1.47 0.19 -6.13 4.02 2.43 -1.54 -3.45 114.38 111.36 1vgk h ARG 12 Ca -0.51 -0.06 -0.57 0.00 -0.81 0.00 0.00 59.98 58.03 1vgk h ARG 12 Cb 1.22 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.65 1vgk h ARG 12 CO 0.63 0.45 -0.65 -1.01 -1.51 0.00 0.00 179.97 177.88 1vgk s HIS 13 N -4.95 2.58 0.27 2.20 3.76 -1.26 -5.04 115.29 112.85 1vgk s HIS 13 Ca -0.14 -0.32 -0.31 0.00 -0.15 0.00 0.00 55.06 54.14 1vgk s HIS 13 Cb 0.05 -1.29 -0.12 0.00 1.11 0.00 0.00 32.58 32.32 1vgk s HIS 13 CO 0.70 0.57 1.52 -0.35 -0.85 0.00 0.00 174.74 176.33 1vgk n PRO 14 N -0.89 2.42 -2.42 8.40 -0.04 -1.26 -4.88 135.00 136.33 1vgk n PRO 14 Ca -0.05 0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 63.86 1vgk n PRO 14 Cb 0.60 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 1vgk n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vgk s ALA 15 N -0.01 3.42 -0.23 0.55 0.00 -1.26 -5.03 121.76 119.20 1vgk s ALA 15 Ca 0.66 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 1vgk s ALA 15 Cb -0.56 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.30 1vgk s ALA 15 CO 0.49 -0.29 0.38 -1.83 0.00 0.00 0.00 175.76 174.51 1vgk s GLU 16 N -0.76 0.33 -0.37 0.00 -1.05 -1.26 -5.12 118.70 110.47 1vgk s GLU 16 Ca 0.49 0.64 -0.45 0.00 -0.15 0.00 0.00 54.97 55.50 1vgk s GLU 16 Cb -0.32 -0.31 -0.20 0.00 -0.44 0.00 0.00 34.13 32.86 1vgk s GLU 16 CO 0.39 -0.54 1.50 0.09 0.95 0.00 0.00 175.26 177.64 1vgk n ASN 17 N 5.37 1.07 0.00 0.83 3.02 -1.26 -0.63 115.26 123.67 1vgk n ASN 17 Ca -0.05 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1vgk n ASN 17 Cb 0.50 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1vgk n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vgk n GLY 18 N 3.49 0.70 3.52 7.41 0.00 -0.87 -4.99 105.19 114.44 1vgk n GLY 18 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1vgk n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vgk s LYS 19 N -0.82 3.78 0.43 1.61 -0.14 0.20 -5.02 119.74 119.78 1vgk s LYS 19 Ca 0.00 -0.42 -0.25 0.00 -1.36 0.00 0.00 55.97 53.94 1vgk s LYS 19 Cb 0.00 -3.36 -0.09 0.00 -1.68 0.00 0.00 37.83 32.70 1vgk s LYS 19 CO 0.00 -0.08 1.29 -1.13 -0.76 0.00 0.00 175.35 174.67 1vgk n SER 20 N 4.63 2.62 -0.73 2.83 3.41 -1.26 -4.37 113.62 120.75 1vgk n SER 20 Ca -0.16 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1vgk n SER 20 Cb 0.52 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1vgk n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1vgk n ASN 21 N 0.12 0.00 -4.06 4.04 4.05 0.31 -4.97 115.26 114.75 1vgk n ASN 21 Ca 0.07 -0.73 -0.23 0.00 0.45 0.00 0.00 54.58 54.14 1vgk n ASN 21 Cb 0.40 0.00 -0.16 0.00 1.23 0.00 0.00 39.78 41.25 1vgk n ASN 21 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1vgk s PHE 22 N -5.86 1.25 -0.24 1.20 0.40 -1.26 -0.35 117.98 113.12 1vgk s PHE 22 Ca 0.00 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 1vgk s PHE 22 Cb 0.00 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.62 1vgk s PHE 22 CO 0.00 -0.12 0.19 -1.17 0.70 0.00 0.00 175.22 174.82 1vgk s LEU 23 N 0.11 4.10 -0.07 -0.37 2.96 0.33 -1.20 118.68 124.54 1vgk s LEU 23 Ca -0.03 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1vgk s LEU 23 Cb -0.09 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1vgk s LEU 23 CO 0.01 0.03 -0.12 0.20 -1.32 0.00 0.00 176.35 175.15 1vgk s ASN 24 N 1.17 4.22 -0.23 3.68 0.01 0.18 -1.95 114.94 122.03 1vgk s ASN 24 Ca 0.09 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.08 1vgk s ASN 24 Cb -0.14 -1.08 0.06 0.00 0.41 0.00 0.00 41.25 40.50 1vgk s ASN 24 CO 0.06 0.32 -0.06 0.00 -1.51 0.00 0.00 177.10 175.91 1vgk s TYR 26 N 1.42 3.21 -0.15 0.00 5.04 0.74 -1.11 117.35 126.50 1vgk s TYR 26 Ca -0.05 -0.58 -0.04 0.00 -2.44 0.00 0.00 57.07 53.96 1vgk s TYR 26 Cb -0.18 -2.41 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 1vgk s TYR 26 CO -0.06 -0.48 -0.02 0.14 -1.34 0.00 0.00 175.55 173.78 1vgk s VAL 27 N 1.63 4.09 0.22 3.14 -7.23 -0.45 -1.27 120.40 120.53 1vgk s VAL 27 Ca 0.04 -0.29 -0.10 0.00 -1.81 0.00 0.00 61.98 59.82 1vgk s VAL 27 Cb -0.18 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1vgk s VAL 27 CO 0.07 0.50 0.38 -0.94 -0.31 0.00 0.00 175.10 174.80 1vgk s SER 28 N 0.20 -0.03 -0.64 4.85 1.04 -0.56 -0.91 113.70 117.65 1vgk s SER 28 Ca -0.01 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1vgk s SER 28 Cb -0.13 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1vgk s SER 28 CO 0.02 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1vgk n GLY 29 N -0.33 0.82 3.89 7.32 0.00 -0.29 0.12 105.19 116.73 1vgk n GLY 29 Ca -0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1vgk n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vgk s PHE 30 N -2.09 3.08 -0.29 1.61 -0.12 -1.20 -4.32 117.98 114.65 1vgk s PHE 30 Ca 0.00 -0.19 -0.18 0.00 -0.05 0.00 0.00 56.93 56.50 1vgk s PHE 30 Cb 0.00 -1.70 0.15 0.00 -0.63 0.00 0.00 43.02 40.83 1vgk s PHE 30 CO 0.00 0.27 1.03 -1.58 -0.05 0.00 0.00 175.22 174.89 1vgk s HIS 31 N -2.18 -0.49 1.37 3.49 2.46 -0.79 -1.05 115.29 118.10 1vgk s HIS 31 Ca 0.39 1.03 -0.23 0.00 0.47 0.00 0.00 55.06 56.72 1vgk s HIS 31 Cb -0.08 0.34 0.35 0.00 -0.13 0.00 0.00 32.58 33.06 1vgk s HIS 31 CO 0.27 -0.24 0.99 -0.35 -2.47 0.00 0.00 174.74 172.95 1vgk n PRO 32 N 3.22 -4.07 0.20 2.88 -0.04 -1.26 -0.58 135.00 135.36 1vgk n PRO 32 Ca -0.17 -1.63 0.09 0.00 -0.04 0.00 0.00 63.50 61.76 1vgk n PRO 32 Cb 0.57 -1.79 0.23 0.00 -0.04 0.00 0.00 33.50 32.47 1vgk n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1vgk h SER 33 N -3.21 0.00 -2.69 3.54 4.64 -1.99 -3.45 113.55 110.39 1vgk h SER 33 Ca -0.41 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.38 1vgk h SER 33 Cb 1.31 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.43 1vgk h SER 33 CO 0.26 0.20 0.99 -1.81 -0.87 0.00 0.00 176.83 175.60 1vgk s ASP 34 N -6.23 6.55 0.01 4.97 1.01 -1.26 -4.94 116.67 116.77 1vgk s ASP 34 Ca 0.04 2.60 -0.24 0.00 0.71 0.00 0.00 52.55 55.66 1vgk s ASP 34 Cb 0.07 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.48 1vgk s ASP 34 CO 0.67 -0.90 0.53 -0.51 0.21 0.00 0.00 175.17 175.18 1vgk s ILE 35 N 2.21 0.03 -0.12 0.77 2.07 -1.26 -4.63 121.20 120.26 1vgk s ILE 35 Ca 0.74 -0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.79 1vgk s ILE 35 Cb -0.43 -0.92 0.02 0.00 0.13 0.00 0.00 42.46 41.26 1vgk s ILE 35 CO 0.33 -0.11 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.38 1vgk s GLU 36 N -1.85 2.40 -0.05 3.50 2.12 -0.85 -5.01 118.70 118.95 1vgk s GLU 36 Ca -0.09 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.64 1vgk s GLU 36 Cb -0.01 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.35 1vgk s GLU 36 CO 0.03 -0.10 -0.07 0.08 -0.54 0.00 0.00 175.26 174.67 1vgk s VAL 37 N 1.08 0.73 0.06 3.70 1.01 -1.26 -1.61 120.40 124.11 1vgk s VAL 37 Ca -0.04 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1vgk s VAL 37 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1vgk s VAL 37 CO -0.04 0.27 -0.16 -1.81 0.00 0.00 0.00 175.10 173.36 1vgk s ASP 38 N 0.92 1.94 -0.19 3.32 1.01 -0.27 -4.97 116.67 118.42 1vgk s ASP 38 Ca -0.11 -0.55 -0.08 0.00 0.71 0.00 0.00 52.55 52.53 1vgk s ASP 38 Cb -0.15 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.63 1vgk s ASP 38 CO 0.01 0.03 0.07 -0.76 0.21 0.00 0.00 175.17 174.72 1vgk s LEU 39 N -1.44 3.77 -0.07 1.23 1.43 -1.26 -0.67 118.68 121.67 1vgk s LEU 39 Ca 0.02 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1vgk s LEU 39 Cb -0.09 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1vgk s LEU 39 CO 0.02 0.14 -0.05 -0.76 0.23 0.00 0.00 176.35 175.93 1vgk s LEU 40 N 0.58 3.29 -0.28 1.79 1.43 0.29 -0.21 118.68 125.57 1vgk s LEU 40 Ca 0.03 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1vgk s LEU 40 Cb -0.13 -1.73 0.07 0.00 0.03 0.00 0.00 46.19 44.44 1vgk s LEU 40 CO 0.01 0.36 -0.05 -0.75 0.23 0.00 0.00 176.35 176.16 1vgk s LYS 41 N -0.81 1.88 -1.23 1.70 2.20 0.12 -1.90 119.74 121.70 1vgk s LYS 41 Ca 0.12 -1.47 -0.07 0.00 -0.36 0.00 0.00 55.97 54.20 1vgk s LYS 41 Cb -0.11 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 1vgk s LYS 41 CO 0.02 -0.70 0.90 0.09 -0.36 0.00 0.00 175.35 175.29 1vgk n ASN 42 N 4.41 -5.75 0.00 1.43 3.02 0.13 -2.29 115.26 116.22 1vgk n ASN 42 Ca -0.08 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1vgk n ASN 42 Cb 0.42 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 1vgk n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vgk n GLY 43 N -1.71 2.22 3.78 7.41 0.00 -1.26 -5.03 105.19 110.60 1vgk n GLY 43 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1vgk n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vgk s GLU 44 N -0.40 3.83 0.18 1.61 0.41 -0.97 -4.99 118.70 118.37 1vgk s GLU 44 Ca 0.00 -0.20 -0.33 0.00 -0.41 0.00 0.00 54.97 54.03 1vgk s GLU 44 Cb 0.00 -3.29 -0.13 0.00 -1.78 0.00 0.00 34.13 28.93 1vgk s GLU 44 CO 0.00 0.51 1.66 -2.13 -0.49 0.00 0.00 175.26 174.81 1vgk n ARG 45 N 2.85 2.48 -2.97 1.61 0.63 -1.26 0.12 116.66 120.11 1vgk n ARG 45 Ca -0.18 0.89 -0.37 0.00 -0.92 0.00 0.00 57.85 57.28 1vgk n ARG 45 Cb 0.53 -2.71 -0.06 0.00 0.45 0.00 0.00 32.46 30.68 1vgk n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1vgk s ILE 46 N 1.13 4.42 -0.10 5.15 1.01 0.71 -4.83 121.20 128.68 1vgk s ILE 46 Ca 0.77 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.93 1vgk s ILE 46 Cb -0.59 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 37.94 1vgk s ILE 46 CO 0.35 0.21 -0.03 -0.33 0.00 0.00 0.00 174.94 175.14 1vgk h GLU 47 N 3.40 0.00 -2.02 2.79 5.08 -1.93 -3.41 114.58 118.50 1vgk h GLU 47 Ca -0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1vgk h GLU 47 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1vgk h GLU 47 CO 0.65 0.00 -0.04 1.17 -1.00 0.00 0.00 179.01 179.79 1vgk n LYS 48 N -4.70 1.01 -2.74 2.33 3.00 -1.26 -4.92 118.16 110.88 1vgk n LYS 48 Ca -0.01 -0.14 -0.42 0.00 -0.00 0.00 0.00 58.31 57.74 1vgk n LYS 48 Cb 0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 1vgk n LYS 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vgk s VAL 49 N 0.41 4.82 0.47 3.15 0.11 -1.26 -4.81 120.40 123.28 1vgk s VAL 49 Ca 0.09 1.94 0.08 0.00 -2.93 0.00 0.00 61.98 61.16 1vgk s VAL 49 Cb 0.04 -4.27 0.02 0.00 -1.53 0.00 0.00 36.38 30.65 1vgk s VAL 49 CO 0.00 0.03 0.56 -1.61 -3.33 0.00 0.00 175.10 170.75 1vgk s GLU 50 N 1.90 2.56 0.06 1.54 2.02 -0.42 -4.89 118.70 121.47 1vgk s GLU 50 Ca 0.46 -1.50 -0.09 0.00 0.02 0.00 0.00 54.97 53.86 1vgk s GLU 50 Cb -0.18 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1vgk s GLU 50 CO 0.18 -0.44 0.20 -3.38 0.02 0.00 0.00 175.26 171.84 1vgk s HIS 51 N -2.50 0.10 0.89 1.61 -3.43 -1.26 -0.91 115.29 109.79 1vgk s HIS 51 Ca 0.53 -0.42 -0.12 0.00 -0.80 0.00 0.00 55.06 54.25 1vgk s HIS 51 Cb -0.06 -0.04 0.13 0.00 -1.43 0.00 0.00 32.58 31.17 1vgk s HIS 51 CO 0.32 -0.49 1.13 -1.54 -2.00 0.00 0.00 174.74 172.16 1vgk s SER 52 N -2.48 3.67 0.09 7.38 1.04 0.00 -4.98 113.70 118.43 1vgk s SER 52 Ca 0.00 0.99 -0.30 0.00 0.48 0.00 0.00 55.95 57.12 1vgk s SER 52 Cb 0.02 -1.58 -0.06 0.00 0.10 0.00 0.00 66.02 64.50 1vgk s SER 52 CO -0.07 -2.45 1.04 -1.81 0.98 0.00 0.00 173.24 170.92 1vgk s ASP 53 N -4.04 7.34 -0.19 7.02 1.01 -1.26 -4.77 116.67 121.79 1vgk s ASP 53 Ca 0.63 1.87 -0.41 0.00 0.71 0.00 0.00 52.55 55.36 1vgk s ASP 53 Cb -0.15 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 41.02 1vgk s ASP 53 CO 0.53 -0.21 1.48 -0.11 0.21 0.00 0.00 175.17 177.07 1vgk n LEU 54 N 3.12 1.46 -4.16 1.23 7.94 -1.26 -4.95 117.00 120.37 1vgk n LEU 54 Ca 0.04 1.13 -0.15 0.00 -1.11 0.00 0.00 56.01 55.92 1vgk n LEU 54 Cb 0.48 -1.05 -0.07 0.00 0.53 0.00 0.00 43.42 43.32 1vgk n LEU 54 CO 0.53 -0.96 -0.01 -0.55 -1.11 0.00 0.00 177.39 175.29 1vgk s SER 55 N 1.99 0.93 0.21 1.96 0.15 -1.23 -5.05 113.70 112.66 1vgk s SER 55 Ca 0.95 -1.51 -0.11 0.00 0.70 0.00 0.00 55.95 55.98 1vgk s SER 55 Cb -1.18 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1vgk s SER 55 CO 0.63 -1.12 0.39 0.72 1.20 0.00 0.00 173.24 175.06 1vgk s PHE 56 N -3.47 0.37 0.51 3.44 -0.12 -1.26 -1.98 117.98 115.47 1vgk s PHE 56 Ca 0.35 -0.72 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 1vgk s PHE 56 Cb 0.02 0.07 0.10 0.00 -0.63 0.00 0.00 43.02 42.58 1vgk s PHE 56 CO 0.20 -0.86 0.70 0.43 -0.05 0.00 0.00 175.22 175.65 1vgk n SER 57 N -0.31 1.26 0.23 1.98 7.64 -0.01 -4.93 113.62 119.47 1vgk n SER 57 Ca -0.05 -1.99 0.07 0.00 1.01 0.00 0.00 58.87 57.91 1vgk n SER 57 Cb 0.63 -0.43 0.59 0.00 -1.01 0.00 0.00 64.21 63.99 1vgk n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1vgk h LYS 58 N 0.00 0.06 -0.37 1.43 3.64 -2.03 -0.24 116.57 119.05 1vgk h LYS 58 Ca -0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1vgk h LYS 58 Cb 0.94 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1vgk h LYS 58 CO 0.28 0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 177.13 1vgk n ASP 59 N -4.50 1.65 0.00 4.20 5.75 -1.26 -4.87 116.55 117.53 1vgk n ASP 59 Ca -0.02 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1vgk n ASP 59 Cb 0.11 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1vgk n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1vgk n TRP 60 N 0.27 0.00 -2.69 2.11 7.02 -0.10 -5.00 117.44 119.04 1vgk n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 1vgk n TRP 60 Cb 0.29 -0.37 -0.06 0.00 -2.42 0.00 0.00 31.31 28.76 1vgk n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1vgk s SER 61 N -2.97 7.24 0.70 -0.99 1.04 -1.26 -4.64 113.70 112.81 1vgk s SER 61 Ca 0.00 1.94 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 1vgk s SER 61 Cb 0.00 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.54 1vgk s SER 61 CO 0.00 -0.14 1.07 -0.36 0.98 0.00 0.00 173.24 174.79 1vgk s PHE 62 N -1.54 3.28 -0.11 5.02 0.40 -0.21 -0.83 117.98 123.98 1vgk s PHE 62 Ca 0.50 1.19 -0.19 0.00 -0.60 0.00 0.00 56.93 57.83 1vgk s PHE 62 Cb -0.21 -2.96 0.05 0.00 0.51 0.00 0.00 43.02 40.40 1vgk s PHE 62 CO 0.27 -1.18 0.48 1.52 0.70 0.00 0.00 175.22 177.01 1vgk s TYR 63 N -3.23 -0.46 -0.01 0.36 1.13 -0.84 -1.13 117.35 113.17 1vgk s TYR 63 Ca 0.58 0.99 -0.08 0.00 -1.41 0.00 0.00 57.07 57.14 1vgk s TYR 63 Cb -0.12 0.20 0.01 0.00 -1.10 0.00 0.00 41.96 40.95 1vgk s TYR 63 CO 0.53 -0.36 0.16 -0.51 -2.51 0.00 0.00 175.55 172.86 1vgk s LEU 64 N -0.46 1.45 -0.19 -3.49 1.43 -0.09 -3.49 118.68 113.84 1vgk s LEU 64 Ca -0.06 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1vgk s LEU 64 Cb -0.03 0.73 0.00 0.00 0.03 0.00 0.00 46.19 46.93 1vgk s LEU 64 CO 0.03 -0.35 -0.13 -0.22 0.23 0.00 0.00 176.35 175.91 1vgk s LEU 65 N -1.23 2.49 -0.09 1.79 2.96 -1.26 -1.34 118.68 121.99 1vgk s LEU 65 Ca -0.13 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1vgk s LEU 65 Cb -0.07 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1vgk s LEU 65 CO 0.02 0.01 0.02 -0.31 -1.32 0.00 0.00 176.35 174.77 1vgk s TYR 66 N 1.25 3.21 0.11 5.38 1.51 -0.26 -0.82 117.35 127.73 1vgk s TYR 66 Ca 0.03 0.23 -0.23 0.00 -1.01 0.00 0.00 57.07 56.09 1vgk s TYR 66 Cb -0.14 -1.80 0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1vgk s TYR 66 CO -0.06 0.50 0.58 1.52 -1.11 0.00 0.00 175.55 176.98 1vgk s TYR 67 N -0.90 -0.51 -0.13 2.71 -0.85 -0.09 -0.48 117.35 117.10 1vgk s TYR 67 Ca 0.13 0.42 -0.20 0.00 -0.52 0.00 0.00 57.07 56.90 1vgk s TYR 67 Cb -0.11 0.49 0.05 0.00 0.38 0.00 0.00 41.96 42.76 1vgk s TYR 67 CO 0.02 -0.78 0.52 -0.08 -1.52 0.00 0.00 175.55 173.71 1vgk s THR 68 N -3.25 0.01 0.57 -3.49 -1.32 -0.82 -1.31 115.64 106.03 1vgk s THR 68 Ca -0.01 -0.10 -0.19 0.00 -1.21 0.00 0.00 61.69 60.18 1vgk s THR 68 Cb -0.01 -0.77 -0.05 0.00 -1.51 0.00 0.00 72.50 70.17 1vgk s THR 68 CO -0.08 -0.05 1.18 -0.70 -2.21 0.00 0.00 174.62 172.75 1vgk s GLU 69 N -0.35 3.13 0.06 7.08 2.12 -1.26 -0.51 118.70 128.97 1vgk s GLU 69 Ca -0.05 1.75 -0.27 0.00 0.36 0.00 0.00 54.97 56.75 1vgk s GLU 69 Cb -0.03 -1.97 0.09 0.00 0.26 0.00 0.00 34.13 32.48 1vgk s GLU 69 CO 0.03 -1.06 0.99 -0.59 -0.54 0.00 0.00 175.26 174.10 1vgk s PHE 70 N -1.65 -0.18 -0.32 5.30 -0.71 0.53 -4.78 117.98 116.16 1vgk s PHE 70 Ca 0.75 -0.03 -0.00 0.00 -1.04 0.00 0.00 56.93 56.61 1vgk s PHE 70 Cb -0.28 0.59 0.10 0.00 -1.21 0.00 0.00 43.02 42.22 1vgk s PHE 70 CO 0.31 -0.64 0.10 0.99 -1.34 0.00 0.00 175.22 174.64 1vgk s THR 71 N -3.08 0.99 0.81 -4.49 2.01 -1.26 0.11 115.64 110.74 1vgk s THR 71 Ca 0.10 -1.51 -0.12 0.00 0.31 0.00 0.00 61.69 60.47 1vgk s THR 71 Cb -0.00 -1.75 0.09 0.00 0.01 0.00 0.00 72.50 70.84 1vgk s THR 71 CO -0.02 -0.68 1.16 -2.16 -0.69 0.00 0.00 174.62 172.23 1vgk s PRO 72 N 1.52 1.69 0.20 4.92 0.04 -1.26 -4.72 135.00 137.38 1vgk s PRO 72 Ca 0.10 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1vgk s PRO 72 Cb -0.18 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1vgk s PRO 72 CO -0.23 -2.13 0.08 0.95 0.04 0.00 0.00 177.00 175.70 1vgk s THR 73 N -2.41 0.32 0.30 1.26 -4.23 -1.26 -2.05 115.64 107.57 1vgk s THR 73 Ca 0.69 -1.98 0.27 0.00 -1.18 0.00 0.00 61.69 59.50 1vgk s THR 73 Cb -0.24 -2.36 0.28 0.00 1.34 0.00 0.00 72.50 71.52 1vgk s THR 73 CO 0.52 -0.20 1.99 1.05 -0.54 0.00 0.00 174.62 177.44 1vgk h GLU 74 N 2.62 0.00 0.00 3.99 4.11 -1.97 -3.33 114.58 120.00 1vgk h GLU 74 Ca -0.37 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.75 1vgk h GLU 74 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1vgk h GLU 74 CO 0.59 0.15 -2.18 0.36 0.07 0.00 0.00 179.01 177.99 1vgk n LYS 75 N -3.48 0.93 -1.67 1.06 -0.00 -1.26 -4.97 118.16 108.77 1vgk n LYS 75 Ca -0.01 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 1vgk n LYS 75 Cb 0.31 -1.43 -0.03 0.00 -0.00 0.00 0.00 35.03 33.88 1vgk n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vgk n ASP 76 N -2.85 4.14 -4.75 -5.58 8.00 -1.25 -4.97 116.55 109.28 1vgk n ASP 76 Ca -0.32 0.93 -0.38 0.00 0.71 0.00 0.00 54.79 55.73 1vgk n ASP 76 Cb 0.98 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.49 1vgk n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1vgk s GLU 77 N 3.91 4.24 0.11 -1.24 2.02 -1.26 -4.71 118.70 121.77 1vgk s GLU 77 Ca 0.87 0.44 0.09 0.00 0.02 0.00 0.00 54.97 56.39 1vgk s GLU 77 Cb -0.45 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1vgk s GLU 77 CO 0.41 0.31 -0.21 0.71 0.02 0.00 0.00 175.26 176.49 1vgk s TYR 78 N 0.14 2.45 0.24 1.61 1.51 -1.26 0.19 117.35 122.23 1vgk s TYR 78 Ca 0.25 -0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 55.83 1vgk s TYR 78 Cb -0.16 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1vgk s TYR 78 CO 0.11 0.35 0.57 0.00 -1.11 0.00 0.00 175.55 175.46 1vgk s ALA 79 N -1.08 -0.77 -0.06 3.71 0.00 -0.80 -0.79 121.76 121.97 1vgk s ALA 79 Ca 0.16 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.68 1vgk s ALA 79 Cb -0.10 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1vgk s ALA 79 CO 0.08 -0.89 -0.18 0.00 0.00 0.00 0.00 175.76 174.76 1vgk s ARG 81 N 0.23 3.14 -0.04 0.00 3.52 0.15 -0.57 118.95 125.38 1vgk s ARG 81 Ca -0.10 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.74 1vgk s ARG 81 Cb -0.14 -2.52 -0.00 0.00 -1.56 0.00 0.00 34.95 30.73 1vgk s ARG 81 CO 0.04 0.04 -0.16 0.08 -0.81 0.00 0.00 175.30 174.49 1vgk s VAL 82 N 0.73 1.32 0.03 7.11 1.01 0.54 -1.12 120.40 130.03 1vgk s VAL 82 Ca -0.08 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1vgk s VAL 82 Cb -0.16 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1vgk s VAL 82 CO 0.01 0.39 -0.20 0.21 0.00 0.00 0.00 175.10 175.50 1vgk s ASN 83 N 0.13 2.39 -0.01 3.32 3.04 -0.63 -0.08 114.94 123.09 1vgk s ASN 83 Ca -0.05 -0.48 -0.22 0.00 0.04 0.00 0.00 52.86 52.15 1vgk s ASN 83 Cb -0.12 -0.21 0.05 0.00 -1.54 0.00 0.00 41.25 39.43 1vgk s ASN 83 CO 0.02 0.17 0.49 -2.28 -3.04 0.00 0.00 177.10 172.47 1vgk s HIS 84 N -0.72 -0.40 0.43 0.43 5.65 -1.26 -2.01 115.29 117.41 1vgk s HIS 84 Ca 0.07 0.61 0.27 0.00 0.25 0.00 0.00 55.06 56.26 1vgk s HIS 84 Cb -0.08 0.26 1.34 0.00 -1.18 0.00 0.00 32.58 32.92 1vgk s HIS 84 CO 0.01 -0.53 1.67 -0.24 -0.65 0.00 0.00 174.74 175.00 1vgk h VAL 85 N 3.28 0.24 0.00 0.89 3.04 -1.96 0.63 116.25 122.38 1vgk h VAL 85 Ca -0.29 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1vgk h VAL 85 Cb 1.17 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1vgk h VAL 85 CO 0.40 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.34 1vgk n THR 86 N -4.64 0.26 -4.14 3.17 -2.24 -1.26 -4.71 114.28 100.71 1vgk n THR 86 Ca 0.33 0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.83 1vgk n THR 86 Cb 1.28 -0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 68.74 1vgk n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1vgk s LEU 87 N -2.82 3.36 0.14 3.22 1.43 0.22 -4.97 118.68 119.26 1vgk s LEU 87 Ca 0.17 -0.13 0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1vgk s LEU 87 Cb 0.16 -1.84 0.84 0.00 0.03 0.00 0.00 46.19 45.38 1vgk s LEU 87 CO 0.42 0.11 1.63 -1.54 0.23 0.00 0.00 176.35 177.20 1vgk n SER 88 N 3.95 0.39 -3.48 2.29 3.41 -1.26 -4.58 113.62 114.33 1vgk n SER 88 Ca -0.17 0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1vgk n SER 88 Cb 0.52 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1vgk n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vgk s GLN 89 N -3.17 1.03 0.34 4.33 -2.07 -1.26 -5.14 119.66 113.72 1vgk s GLN 89 Ca 0.06 -0.21 -0.27 0.00 -1.82 0.00 0.00 55.36 53.12 1vgk s GLN 89 Cb 0.10 0.48 -0.13 0.00 -1.09 0.00 0.00 33.01 32.37 1vgk s GLN 89 CO 0.36 -0.42 1.08 -2.30 -1.32 0.00 0.00 175.29 172.69 1vgk n PRO 90 N 0.04 1.56 -3.97 9.60 -0.02 -1.26 -4.90 135.00 136.04 1vgk n PRO 90 Ca -0.14 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 1vgk n PRO 90 Cb 0.62 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.98 1vgk n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vgk s LYS 91 N -1.76 4.00 -0.17 -0.52 2.20 0.88 -4.90 119.74 119.48 1vgk s LYS 91 Ca 0.59 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1vgk s LYS 91 Cb -0.63 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 1vgk s LYS 91 CO 0.60 0.28 -0.09 0.42 -0.36 0.00 0.00 175.35 176.20 1vgk s ILE 92 N 0.36 3.22 -0.19 5.43 1.01 -1.26 -0.34 121.20 129.43 1vgk s ILE 92 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1vgk s ILE 92 Cb -0.12 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1vgk s ILE 92 CO -0.00 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.59 1vgk s VAL 93 N 0.82 2.62 0.51 2.92 1.01 0.26 -4.96 120.40 123.58 1vgk s VAL 93 Ca -0.03 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1vgk s VAL 93 Cb -0.15 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 1vgk s VAL 93 CO 0.01 0.50 0.99 -0.54 0.00 0.00 0.00 175.10 176.06 1vgk s LYS 94 N 1.25 3.89 -0.51 2.72 1.02 -1.26 -1.14 119.74 125.71 1vgk s LYS 94 Ca 0.03 1.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.81 1vgk s LYS 94 Cb -0.14 -2.12 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1vgk s LYS 94 CO -0.07 -0.33 1.03 -0.46 -0.92 0.00 0.00 175.35 174.61 1vgk s TRP 95 N -2.47 2.80 -0.32 3.18 -0.00 0.03 -4.85 118.94 117.31 1vgk s TRP 95 Ca 0.61 0.37 -0.18 0.00 -0.00 0.00 0.00 56.10 56.90 1vgk s TRP 95 Cb -0.11 -4.21 -0.01 0.00 -0.00 0.00 0.00 33.47 29.13 1vgk s TRP 95 CO 0.28 -1.30 0.51 0.34 -0.00 0.00 0.00 176.95 176.78 1vgk s ASP 96 N 2.58 6.34 0.29 5.86 3.68 -1.26 -4.79 116.67 129.37 1vgk s ASP 96 Ca 0.39 0.15 0.17 0.00 2.13 0.00 0.00 52.55 55.38 1vgk s ASP 96 Cb -0.09 -2.27 0.90 0.00 -1.45 0.00 0.00 42.92 40.01 1vgk s ASP 96 CO 0.26 -0.41 1.47 0.54 0.13 0.00 0.00 175.17 177.16 1vgk n ARG 97 N 5.67 0.11 -2.30 4.34 1.74 -1.26 -2.37 116.66 122.58 1vgk n ARG 97 Ca -0.05 0.59 -0.27 0.00 -0.77 0.00 0.00 57.85 57.36 1vgk n ARG 97 Cb 0.49 -1.96 0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1vgk n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1vgk n ASP 98 N -2.10 4.96 0.00 0.55 8.00 -1.26 -4.94 116.55 121.76 1vgk n ASP 98 Ca -0.01 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1vgk n ASP 98 Cb 0.12 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1vgk n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61