#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsv s ILE 1 N 0.00 2.23 -0.07 1.12 -4.36 -1.26 -5.03 121.20 113.83 3gsv s ILE 1 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.60 3gsv s ILE 1 Cb 0.00 -3.13 0.02 0.00 1.25 0.00 0.00 42.46 40.60 3gsv s ILE 1 CO 0.00 0.04 -0.06 -1.10 0.24 0.00 0.00 174.94 174.07 3gsv s GLN 2 N -1.18 1.11 -0.08 0.37 -0.21 -1.26 -4.45 119.66 113.97 3gsv s GLN 2 Ca 0.57 -0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.85 3gsv s GLN 2 Cb -0.46 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.38 3gsv s GLN 2 CO 0.53 -0.17 -0.22 1.03 -2.12 0.00 0.00 175.29 174.34 3gsv s ARG 3 N 1.35 2.60 0.18 2.91 0.52 0.24 -4.94 118.95 121.81 3gsv s ARG 3 Ca -0.03 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.16 3gsv s ARG 3 Cb -0.14 -2.07 -0.08 0.00 0.52 0.00 0.00 34.95 33.19 3gsv s ARG 3 CO -0.03 0.23 0.72 -0.08 0.02 0.00 0.00 175.30 176.16 3gsv s THR 4 N 0.19 4.52 0.30 0.02 -1.32 -1.26 -1.78 115.64 116.32 3gsv s THR 4 Ca -0.12 1.42 -0.28 0.00 -1.21 0.00 0.00 61.69 61.50 3gsv s THR 4 Cb -0.16 -3.96 -0.09 0.00 -1.51 0.00 0.00 72.50 66.78 3gsv s THR 4 CO 0.06 0.37 1.07 -2.16 -2.21 0.00 0.00 174.62 171.75 3gsv s PRO 5 N -1.55 4.55 0.30 7.08 0.04 -1.26 -4.31 135.00 139.85 3gsv s PRO 5 Ca 0.38 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 3gsv s PRO 5 Cb -0.19 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3gsv s PRO 5 CO 0.23 0.16 0.74 0.15 0.04 0.00 0.00 177.00 178.31 3gsv s LYS 6 N -1.68 4.06 -0.05 4.56 1.02 0.72 -4.90 119.74 123.48 3gsv s LYS 6 Ca 0.47 0.72 0.02 0.00 0.02 0.00 0.00 55.97 57.20 3gsv s LYS 6 Cb -0.29 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3gsv s LYS 6 CO 0.37 0.20 -0.08 0.42 -0.92 0.00 0.00 175.35 175.34 3gsv s ILE 7 N -1.89 0.79 -0.02 2.17 1.01 -1.26 -1.71 121.20 120.29 3gsv s ILE 7 Ca 0.52 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.94 3gsv s ILE 7 Cb -0.12 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 3gsv s ILE 7 CO 0.18 0.27 -0.19 -1.10 0.00 0.00 0.00 174.94 174.11 3gsv s GLN 8 N 0.70 1.58 -0.07 2.79 -0.21 -0.65 -5.00 119.66 118.80 3gsv s GLN 8 Ca -0.12 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.63 3gsv s GLN 8 Cb -0.14 -1.51 -0.00 0.00 1.00 0.00 0.00 33.01 32.36 3gsv s GLN 8 CO 0.02 0.39 -0.21 0.54 -2.12 0.00 0.00 175.29 173.91 3gsv s VAL 9 N -0.40 1.78 -0.04 1.09 0.11 -1.26 -0.64 120.40 121.03 3gsv s VAL 9 Ca 0.06 -0.88 -0.31 0.00 -2.93 0.00 0.00 61.98 57.92 3gsv s VAL 9 Cb -0.08 -1.53 0.11 0.00 -1.53 0.00 0.00 36.38 33.35 3gsv s VAL 9 CO -0.00 0.50 1.10 -0.72 -3.33 0.00 0.00 175.10 172.65 3gsv s TYR 10 N 0.17 -0.17 0.24 1.54 1.13 -0.89 -4.64 117.35 114.74 3gsv s TYR 10 Ca -0.10 0.04 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 3gsv s TYR 10 Cb -0.15 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 3gsv s TYR 10 CO 0.05 -0.41 0.49 -1.54 -2.51 0.00 0.00 175.55 171.62 3gsv s SER 11 N -2.57 6.44 0.11 -0.18 1.04 -1.26 -0.40 113.70 116.88 3gsv s SER 11 Ca 0.10 0.62 -0.17 0.00 0.48 0.00 0.00 55.95 56.98 3gsv s SER 11 Cb 0.00 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 63.97 3gsv s SER 11 CO -0.04 -0.12 1.55 -0.09 0.98 0.00 0.00 173.24 175.52 3gsv h ARG 12 N 1.94 0.57 -6.02 4.02 2.43 -1.60 -3.45 114.38 112.27 3gsv h ARG 12 Ca -0.48 -0.18 -0.61 0.00 -0.81 0.00 0.00 59.98 57.91 3gsv h ARG 12 Cb 1.19 -0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.55 3gsv h ARG 12 CO 0.67 0.70 -0.69 -1.01 -1.51 0.00 0.00 179.97 178.14 3gsv s HIS 13 N -5.02 2.41 0.24 2.20 3.76 -1.26 -5.04 115.29 112.58 3gsv s HIS 13 Ca -0.13 -0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 54.02 3gsv s HIS 13 Cb 0.09 -1.31 -0.14 0.00 1.11 0.00 0.00 32.58 32.33 3gsv s HIS 13 CO 0.77 0.60 1.35 -2.30 -0.85 0.00 0.00 174.74 174.31 3gsv n PRO 14 N -0.79 1.88 -2.90 8.40 -0.02 -1.26 -4.89 135.00 135.42 3gsv n PRO 14 Ca -0.05 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 3gsv n PRO 14 Cb 0.62 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 3gsv n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gsv s ALA 15 N -0.17 3.56 -0.02 3.55 0.00 -1.26 -5.04 121.76 122.38 3gsv s ALA 15 Ca 0.68 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3gsv s ALA 15 Cb -0.68 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.22 3gsv s ALA 15 CO 0.51 -0.72 -0.04 -1.21 0.00 0.00 0.00 175.76 174.30 3gsv s GLU 16 N 2.33 0.50 0.36 0.00 2.02 -1.26 -5.13 118.70 117.52 3gsv s GLU 16 Ca 0.37 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.98 3gsv s GLU 16 Cb -0.16 -0.54 -0.11 0.00 0.10 0.00 0.00 34.13 33.42 3gsv s GLU 16 CO 0.11 -0.01 1.50 -0.80 0.02 0.00 0.00 175.26 176.08 3gsv s ASN 17 N 0.47 6.36 0.00 -0.19 0.01 -1.26 -2.26 114.94 118.08 3gsv s ASN 17 Ca -0.05 3.03 0.00 0.00 -0.71 0.00 0.00 52.86 55.12 3gsv s ASN 17 Cb -0.09 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3gsv s ASN 17 CO -0.00 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.33 3gsv n GLY 18 N 0.71 1.30 3.16 0.66 0.00 -0.67 -5.00 105.19 105.35 3gsv n GLY 18 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3gsv n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gsv s LYS 19 N -0.13 2.99 0.49 1.61 1.02 -0.96 -5.01 119.74 119.75 3gsv s LYS 19 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 3gsv s LYS 19 Cb 0.00 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 3gsv s LYS 19 CO 0.00 -0.26 0.91 0.45 -0.92 0.00 0.00 175.35 175.53 3gsv n SER 20 N 4.65 0.73 -2.95 2.83 2.88 -1.26 -4.34 113.62 116.15 3gsv n SER 20 Ca -0.19 0.93 -0.04 0.00 -1.33 0.00 0.00 58.87 58.24 3gsv n SER 20 Cb 0.49 -1.33 0.02 0.00 -0.75 0.00 0.00 64.21 62.64 3gsv n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3gsv n ASN 21 N 0.18 -1.63 -4.12 -3.46 2.85 0.08 -4.99 115.26 104.18 3gsv n ASN 21 Ca 0.11 -1.91 -0.27 0.00 -0.11 0.00 0.00 54.58 52.40 3gsv n ASN 21 Cb 0.43 2.66 -0.16 0.00 1.24 0.00 0.00 39.78 43.94 3gsv n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3gsv s PHE 22 N -2.64 1.80 -0.19 1.20 0.40 -1.26 -0.91 117.98 116.39 3gsv s PHE 22 Ca 0.19 -0.61 -0.15 0.00 -0.60 0.00 0.00 56.93 55.76 3gsv s PHE 22 Cb -0.03 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 3gsv s PHE 22 CO 0.06 -0.25 0.35 -1.17 0.70 0.00 0.00 175.22 174.91 3gsv s LEU 23 N 0.29 4.18 -0.01 -0.37 2.96 0.52 -1.35 118.68 124.90 3gsv s LEU 23 Ca -0.10 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3gsv s LEU 23 Cb -0.14 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3gsv s LEU 23 CO 0.04 -0.02 -0.08 0.20 -1.32 0.00 0.00 176.35 175.17 3gsv s ASN 24 N 0.90 4.57 -0.20 3.68 0.01 0.47 -1.68 114.94 122.68 3gsv s ASN 24 Ca 0.18 -0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 52.18 3gsv s ASN 24 Cb -0.14 -1.07 0.06 0.00 0.41 0.00 0.00 41.25 40.51 3gsv s ASN 24 CO 0.07 0.30 -0.02 0.00 -1.51 0.00 0.00 177.10 175.93 3gsv s TYR 26 N 1.60 3.23 -0.09 0.00 5.04 0.18 -0.76 117.35 126.55 3gsv s TYR 26 Ca -0.03 0.07 0.04 0.00 -2.44 0.00 0.00 57.07 54.71 3gsv s TYR 26 Cb -0.17 -2.32 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 3gsv s TYR 26 CO -0.07 -0.12 -0.20 0.14 -1.34 0.00 0.00 175.55 173.96 3gsv s VAL 27 N 1.52 2.45 0.25 3.14 -7.23 -0.18 -1.63 120.40 118.71 3gsv s VAL 27 Ca 0.07 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 3gsv s VAL 27 Cb -0.15 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 3gsv s VAL 27 CO 0.08 0.56 0.48 -0.94 -0.31 0.00 0.00 175.10 174.97 3gsv s SER 28 N 0.01 -0.08 -0.60 4.85 1.04 -0.69 -0.51 113.70 117.72 3gsv s SER 28 Ca -0.07 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3gsv s SER 28 Cb -0.15 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3gsv s SER 28 CO 0.05 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3gsv n GLY 29 N -0.39 0.77 3.93 7.32 0.00 -0.68 -0.20 105.19 115.94 3gsv n GLY 29 Ca -0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3gsv n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gsv s PHE 30 N -2.01 3.38 -0.28 1.61 -0.71 -1.20 -4.28 117.98 114.49 3gsv s PHE 30 Ca 0.00 0.00 -0.21 0.00 -1.04 0.00 0.00 56.93 55.68 3gsv s PHE 30 Cb 0.00 -1.57 0.10 0.00 -1.21 0.00 0.00 43.02 40.35 3gsv s PHE 30 CO 0.00 0.48 0.84 -1.58 -1.34 0.00 0.00 175.22 173.62 3gsv s HIS 31 N -1.92 -0.74 1.26 3.49 2.46 -0.73 -1.19 115.29 117.91 3gsv s HIS 31 Ca 0.34 1.63 -0.21 0.00 0.47 0.00 0.00 55.06 57.29 3gsv s HIS 31 Cb -0.09 0.41 0.31 0.00 -0.13 0.00 0.00 32.58 33.07 3gsv s HIS 31 CO 0.28 -0.36 1.09 -1.25 -2.47 0.00 0.00 174.74 172.03 3gsv s PRO 32 N 0.86 -1.66 0.44 2.88 0.04 -1.26 -0.59 135.00 135.71 3gsv s PRO 32 Ca -0.04 -0.14 0.24 0.00 0.04 0.00 0.00 61.00 61.10 3gsv s PRO 32 Cb -0.05 -1.55 0.55 0.00 0.04 0.00 0.00 34.50 33.49 3gsv s PRO 32 CO -0.10 -3.98 1.68 0.66 0.04 0.00 0.00 177.00 175.30 3gsv h SER 33 N -2.77 0.00 -2.62 6.66 4.64 -2.00 -3.45 113.55 114.01 3gsv h SER 33 Ca -0.43 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 3gsv h SER 33 Cb 1.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 3gsv h SER 33 CO 0.29 0.10 1.05 -1.81 -0.87 0.00 0.00 176.83 175.59 3gsv s ASP 34 N -6.15 6.54 -0.08 4.97 1.01 -1.26 -4.97 116.67 116.73 3gsv s ASP 34 Ca 0.05 2.58 -0.19 0.00 0.71 0.00 0.00 52.55 55.71 3gsv s ASP 34 Cb 0.07 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.47 3gsv s ASP 34 CO 0.65 -0.94 0.44 -0.51 0.21 0.00 0.00 175.17 175.03 3gsv s ILE 35 N 2.77 0.03 -0.21 0.77 2.07 -1.26 -4.66 121.20 120.71 3gsv s ILE 35 Ca 0.77 -0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.76 3gsv s ILE 35 Cb -0.42 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 3gsv s ILE 35 CO 0.34 -0.12 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.52 3gsv s GLU 36 N -0.74 3.44 -0.09 3.50 2.12 0.02 -5.01 118.70 121.93 3gsv s GLU 36 Ca -0.08 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3gsv s GLU 36 Cb -0.03 -3.00 0.02 0.00 0.26 0.00 0.00 34.13 31.38 3gsv s GLU 36 CO 0.04 -0.11 -0.08 0.08 -0.54 0.00 0.00 175.26 174.65 3gsv s VAL 37 N 1.27 0.97 -0.00 3.70 1.01 -1.26 -1.15 120.40 124.94 3gsv s VAL 37 Ca 0.03 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3gsv s VAL 37 Cb -0.14 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3gsv s VAL 37 CO -0.01 0.34 -0.25 -1.81 0.00 0.00 0.00 175.10 173.38 3gsv s ASP 38 N 1.35 2.92 -0.08 3.32 -0.00 -0.27 -4.99 116.67 118.92 3gsv s ASP 38 Ca -0.02 -0.48 -0.13 0.00 -0.00 0.00 0.00 52.55 51.92 3gsv s ASP 38 Cb -0.14 -0.31 -0.05 0.00 -0.00 0.00 0.00 42.92 42.43 3gsv s ASP 38 CO -0.04 0.29 0.32 -0.76 -0.00 0.00 0.00 175.17 174.98 3gsv s LEU 39 N -0.74 4.38 -0.07 1.23 1.43 -1.26 -0.47 118.68 123.18 3gsv s LEU 39 Ca 0.10 0.71 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 3gsv s LEU 39 Cb -0.10 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3gsv s LEU 39 CO -0.00 0.26 -0.21 -0.76 0.23 0.00 0.00 176.35 175.86 3gsv s LEU 40 N -0.50 2.30 -0.28 1.79 1.43 0.06 -0.70 118.68 122.78 3gsv s LEU 40 Ca 0.20 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3gsv s LEU 40 Cb -0.14 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.67 3gsv s LEU 40 CO 0.08 0.25 -0.01 -0.75 0.23 0.00 0.00 176.35 176.16 3gsv s LYS 41 N -0.19 2.67 -1.57 1.70 2.20 0.31 -1.81 119.74 123.05 3gsv s LYS 41 Ca -0.02 -1.11 -0.15 0.00 -0.36 0.00 0.00 55.97 54.33 3gsv s LYS 41 Cb -0.14 -3.15 0.10 0.00 -1.51 0.00 0.00 37.83 33.14 3gsv s LYS 41 CO 0.03 -0.52 0.95 0.09 -0.36 0.00 0.00 175.35 175.54 3gsv n ASN 42 N 4.68 -4.50 0.00 1.43 3.02 0.78 -1.91 115.26 118.75 3gsv n ASN 42 Ca -0.14 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3gsv n ASN 42 Cb 0.45 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 3gsv n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gsv n GLY 43 N -1.63 1.57 3.73 7.41 0.00 -1.26 -5.04 105.19 109.96 3gsv n GLY 43 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3gsv n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gsv s GLU 44 N -0.53 3.39 0.09 1.61 0.41 -0.80 -5.01 118.70 117.86 3gsv s GLU 44 Ca 0.00 -0.31 -0.31 0.00 -0.41 0.00 0.00 54.97 53.95 3gsv s GLU 44 Cb 0.00 -3.03 -0.09 0.00 -1.78 0.00 0.00 34.13 29.24 3gsv s GLU 44 CO 0.00 0.61 1.64 0.50 -0.49 0.00 0.00 175.26 177.52 3gsv s ARG 45 N -0.59 4.20 0.07 1.61 3.52 -1.26 -0.53 118.95 125.96 3gsv s ARG 45 Ca 0.11 2.34 -0.30 0.00 -0.13 0.00 0.00 55.73 57.74 3gsv s ARG 45 Cb -0.12 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 3gsv s ARG 45 CO 0.02 -0.71 1.02 0.42 -0.81 0.00 0.00 175.30 175.24 3gsv s ILE 46 N 2.35 4.50 0.02 4.11 1.01 0.13 -4.89 121.20 128.43 3gsv s ILE 46 Ca 0.73 1.92 -0.13 0.00 0.00 0.00 0.00 60.65 63.18 3gsv s ILE 46 Cb -0.41 -4.23 -0.34 0.00 0.01 0.00 0.00 42.46 37.50 3gsv s ILE 46 CO 0.32 0.22 0.95 -0.33 0.00 0.00 0.00 174.94 176.10 3gsv h GLU 47 N 6.18 0.47 -4.15 2.79 5.08 -1.94 -3.41 114.58 119.60 3gsv h GLU 47 Ca -0.42 -0.80 -0.76 0.00 -1.00 0.00 0.00 59.36 56.38 3gsv h GLU 47 Cb 1.22 0.30 -0.20 0.00 0.50 0.00 0.00 28.75 30.56 3gsv h GLU 47 CO 0.74 1.38 1.21 1.63 -1.00 0.00 0.00 179.01 182.97 3gsv n LYS 48 N -3.66 3.53 -4.58 2.33 5.02 -1.26 -4.97 118.16 114.57 3gsv n LYS 48 Ca -0.17 -3.99 -0.31 0.00 -2.02 0.00 0.00 58.31 51.82 3gsv n LYS 48 Cb 1.09 -2.87 -0.17 0.00 -0.02 0.00 0.00 35.03 33.06 3gsv n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gsv s VAL 49 N 0.41 1.79 0.29 -0.18 1.01 -1.26 -4.66 120.40 117.79 3gsv s VAL 49 Ca 0.39 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3gsv s VAL 49 Cb -0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3gsv s VAL 49 CO -0.01 0.50 0.34 -1.61 0.00 0.00 0.00 175.10 174.32 3gsv s GLU 50 N 0.89 3.08 0.04 2.72 2.02 -0.57 -4.92 118.70 121.96 3gsv s GLU 50 Ca -0.07 -1.02 -0.02 0.00 0.02 0.00 0.00 54.97 53.89 3gsv s GLU 50 Cb -0.15 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 3gsv s GLU 50 CO -0.02 0.24 -0.00 -3.38 0.02 0.00 0.00 175.26 172.12 3gsv s HIS 51 N -2.14 0.40 0.88 1.61 -3.43 -1.26 -0.91 115.29 110.44 3gsv s HIS 51 Ca 0.39 -0.86 -0.11 0.00 -0.80 0.00 0.00 55.06 53.67 3gsv s HIS 51 Cb -0.08 -0.30 0.12 0.00 -1.43 0.00 0.00 32.58 30.89 3gsv s HIS 51 CO 0.28 -0.35 1.09 -1.54 -2.00 0.00 0.00 174.74 172.23 3gsv s SER 52 N -2.51 3.61 0.17 7.38 1.04 -0.30 -4.99 113.70 118.09 3gsv s SER 52 Ca 0.01 1.48 -0.30 0.00 0.48 0.00 0.00 55.95 57.62 3gsv s SER 52 Cb 0.03 -2.17 -0.08 0.00 0.10 0.00 0.00 66.02 63.90 3gsv s SER 52 CO -0.07 -2.55 1.15 -1.81 0.98 0.00 0.00 173.24 170.93 3gsv s ASP 53 N -3.46 7.17 0.12 7.02 -0.00 -1.26 -4.77 116.67 121.48 3gsv s ASP 53 Ca 0.63 2.14 -0.35 0.00 -0.00 0.00 0.00 52.55 54.98 3gsv s ASP 53 Cb -0.18 -2.60 -0.14 0.00 -0.00 0.00 0.00 42.92 40.00 3gsv s ASP 53 CO 0.57 -0.31 1.56 -0.11 -0.00 0.00 0.00 175.17 176.87 3gsv n LEU 54 N 2.59 2.81 -4.17 1.23 7.94 -1.26 -4.96 117.00 121.17 3gsv n LEU 54 Ca 0.04 1.08 -0.17 0.00 -1.11 0.00 0.00 56.01 55.85 3gsv n LEU 54 Cb 0.46 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 3gsv n LEU 54 CO 0.55 -0.43 0.04 -0.55 -1.11 0.00 0.00 177.39 175.89 3gsv s SER 55 N 1.11 1.28 0.08 1.96 0.15 -1.24 -5.06 113.70 111.98 3gsv s SER 55 Ca 0.81 -1.62 -0.12 0.00 0.70 0.00 0.00 55.95 55.72 3gsv s SER 55 Cb -0.74 0.63 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 3gsv s SER 55 CO 0.41 -1.21 0.28 0.72 1.20 0.00 0.00 173.24 174.63 3gsv s PHE 56 N -3.17 -0.02 0.80 3.44 -0.12 -1.26 -2.06 117.98 115.59 3gsv s PHE 56 Ca 0.35 -0.28 -0.05 0.00 -0.05 0.00 0.00 56.93 56.90 3gsv s PHE 56 Cb 0.01 0.07 0.15 0.00 -0.63 0.00 0.00 43.02 42.61 3gsv s PHE 56 CO 0.24 -0.56 1.10 -1.54 -0.05 0.00 0.00 175.22 174.41 3gsv s SER 57 N -2.54 3.95 0.31 1.98 1.04 0.07 -4.93 113.70 113.57 3gsv s SER 57 Ca 0.01 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.31 3gsv s SER 57 Cb 0.02 -0.08 0.70 0.00 0.10 0.00 0.00 66.02 66.76 3gsv s SER 57 CO -0.08 -2.14 1.81 0.11 0.98 0.00 0.00 173.24 173.91 3gsv h LYS 58 N -0.88 0.80 -0.04 4.02 1.79 -2.03 -0.33 116.57 119.90 3gsv h LYS 58 Ca -0.39 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3gsv h LYS 58 Cb 1.26 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3gsv h LYS 58 CO 0.39 0.53 0.00 -0.40 -1.08 0.00 0.00 179.45 178.89 3gsv n ASP 59 N -4.68 0.24 0.00 0.86 5.68 -1.26 -4.89 116.55 112.50 3gsv n ASP 59 Ca 0.21 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3gsv n ASP 59 Cb 0.49 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3gsv n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3gsv n TRP 60 N -0.45 0.00 -2.60 2.11 7.02 -0.13 -5.04 117.44 118.35 3gsv n TRP 60 Ca 0.06 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.19 3gsv n TRP 60 Cb 0.06 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 28.89 3gsv n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gsv s SER 61 N -2.96 6.61 0.37 -0.99 1.04 -1.26 -4.72 113.70 111.79 3gsv s SER 61 Ca 0.00 1.92 -0.03 0.00 0.48 0.00 0.00 55.95 58.32 3gsv s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3gsv s SER 61 CO 0.00 -0.59 0.62 -0.36 0.98 0.00 0.00 173.24 173.89 3gsv s PHE 62 N -1.90 3.51 -0.01 5.02 0.08 -0.34 -0.75 117.98 123.60 3gsv s PHE 62 Ca 0.63 0.59 -0.05 0.00 0.12 0.00 0.00 56.93 58.22 3gsv s PHE 62 Cb -0.17 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 3gsv s PHE 62 CO 0.21 0.03 0.10 1.52 -0.10 0.00 0.00 175.22 176.98 3gsv s TYR 63 N -2.35 0.03 -0.02 0.36 -0.85 -0.88 -1.68 117.35 111.96 3gsv s TYR 63 Ca 0.44 -0.08 -0.08 0.00 -0.52 0.00 0.00 57.07 56.83 3gsv s TYR 63 Cb -0.10 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.20 3gsv s TYR 63 CO 0.36 -0.20 0.16 -0.51 -1.52 0.00 0.00 175.55 173.84 3gsv s LEU 64 N -0.98 1.43 -0.20 -3.49 1.43 0.33 -3.69 118.68 113.52 3gsv s LEU 64 Ca -0.11 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3gsv s LEU 64 Cb -0.06 0.70 -0.02 0.00 0.03 0.00 0.00 46.19 46.85 3gsv s LEU 64 CO 0.01 -0.29 -0.03 -0.22 0.23 0.00 0.00 176.35 176.04 3gsv s LEU 65 N -0.97 3.02 -0.08 1.79 2.96 -1.26 -1.01 118.68 123.13 3gsv s LEU 65 Ca -0.11 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3gsv s LEU 65 Cb -0.06 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3gsv s LEU 65 CO 0.01 0.04 0.08 -0.31 -1.32 0.00 0.00 176.35 174.85 3gsv s TYR 66 N 1.15 3.36 -0.03 5.38 2.02 0.06 -1.15 117.35 128.14 3gsv s TYR 66 Ca 0.02 0.33 -0.22 0.00 -0.37 0.00 0.00 57.07 56.83 3gsv s TYR 66 Cb -0.15 -1.84 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3gsv s TYR 66 CO -0.00 0.59 0.47 1.52 -1.57 0.00 0.00 175.55 176.56 3gsv s TYR 67 N -1.01 -0.39 -0.03 2.71 -0.85 -0.09 -0.12 117.35 117.57 3gsv s TYR 67 Ca 0.16 0.65 -0.10 0.00 -0.52 0.00 0.00 57.07 57.26 3gsv s TYR 67 Cb -0.12 0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.47 3gsv s TYR 67 CO 0.06 -0.48 0.23 -0.08 -1.52 0.00 0.00 175.55 173.76 3gsv s THR 68 N -1.23 0.05 0.24 -3.49 -1.32 -0.68 -1.51 115.64 107.70 3gsv s THR 68 Ca -0.12 -0.42 -0.30 0.00 -1.21 0.00 0.00 61.69 59.64 3gsv s THR 68 Cb -0.03 -0.48 -0.09 0.00 -1.51 0.00 0.00 72.50 70.39 3gsv s THR 68 CO 0.07 -0.23 1.28 -0.70 -2.21 0.00 0.00 174.62 172.82 3gsv s GLU 69 N -0.93 4.42 0.03 7.08 2.12 -1.26 -0.35 118.70 129.80 3gsv s GLU 69 Ca -0.10 2.05 -0.18 0.00 0.36 0.00 0.00 54.97 57.10 3gsv s GLU 69 Cb -0.05 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.21 3gsv s GLU 69 CO 0.02 -0.17 0.41 -0.59 -0.54 0.00 0.00 175.26 174.39 3gsv s PHE 70 N -0.35 -0.27 -0.33 5.30 -0.71 -0.08 -4.87 117.98 116.67 3gsv s PHE 70 Ca 0.53 0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 56.65 3gsv s PHE 70 Cb -0.37 0.20 0.06 0.00 -1.21 0.00 0.00 43.02 41.70 3gsv s PHE 70 CO 0.42 -0.54 0.07 0.99 -1.34 0.00 0.00 175.22 174.81 3gsv s THR 71 N -2.24 3.31 0.57 -4.49 2.01 -1.26 -0.74 115.64 112.80 3gsv s THR 71 Ca -0.07 -1.40 -0.21 0.00 0.31 0.00 0.00 61.69 60.32 3gsv s THR 71 Cb -0.01 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3gsv s THR 71 CO -0.01 -0.22 1.35 -2.84 -0.69 0.00 0.00 174.62 172.21 3gsv s PRO 72 N 1.29 2.99 0.32 4.92 0.02 -1.26 -4.81 135.00 138.47 3gsv s PRO 72 Ca -0.02 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.25 3gsv s PRO 72 Cb -0.20 -2.16 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 3gsv s PRO 72 CO -0.00 -1.30 0.08 0.95 -0.33 0.00 0.00 177.00 176.39 3gsv s THR 73 N -1.31 0.97 0.21 0.99 -4.23 -1.26 -1.68 115.64 109.33 3gsv s THR 73 Ca 0.74 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.19 3gsv s THR 73 Cb -0.40 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 70.79 3gsv s THR 73 CO 0.47 0.00 1.64 -0.08 -0.54 0.00 0.00 174.62 176.11 3gsv h GLU 74 N 2.12 0.88 0.01 3.99 4.22 -1.98 -3.33 114.58 120.48 3gsv h GLU 74 Ca -0.39 -0.32 -0.25 0.00 0.08 0.00 0.00 59.36 58.48 3gsv h GLU 74 Cb 1.25 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 3gsv h GLU 74 CO 0.66 0.96 -1.29 1.57 -2.18 0.00 0.00 179.01 178.73 3gsv h LYS 75 N 0.78 0.02 -6.51 1.92 2.10 -2.02 -3.47 116.57 109.39 3gsv h LYS 75 Ca 0.12 -0.03 -0.53 0.00 -2.00 0.00 0.00 60.65 58.21 3gsv h LYS 75 Cb 0.66 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 3gsv h LYS 75 CO 0.05 0.82 0.47 -0.51 -2.00 0.00 0.00 179.45 178.27 3gsv s ASP 76 N -6.50 7.25 -0.13 7.07 1.01 -1.25 -5.03 116.67 119.08 3gsv s ASP 76 Ca -0.02 1.91 -0.04 0.00 0.71 0.00 0.00 52.55 55.11 3gsv s ASP 76 Cb 0.09 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 3gsv s ASP 76 CO 0.82 -0.31 0.02 -1.61 0.21 0.00 0.00 175.17 174.31 3gsv s GLU 77 N 0.59 3.46 0.16 8.23 0.41 -1.26 -4.79 118.70 125.50 3gsv s GLU 77 Ca 0.53 -0.39 0.10 0.00 -0.41 0.00 0.00 54.97 54.80 3gsv s GLU 77 Cb -0.26 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 29.07 3gsv s GLU 77 CO 0.30 0.48 -0.21 0.71 -0.49 0.00 0.00 175.26 176.05 3gsv s TYR 78 N -0.25 2.04 0.26 1.61 2.02 -1.26 -0.16 117.35 121.61 3gsv s TYR 78 Ca 0.06 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.16 3gsv s TYR 78 Cb -0.12 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.42 3gsv s TYR 78 CO 0.02 0.38 0.65 0.00 -1.57 0.00 0.00 175.55 175.03 3gsv s ALA 79 N -1.71 -1.03 -0.08 3.71 0.00 -0.75 -1.07 121.76 120.84 3gsv s ALA 79 Ca 0.16 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3gsv s ALA 79 Cb -0.07 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3gsv s ALA 79 CO 0.07 -0.98 -0.17 0.00 0.00 0.00 0.00 175.76 174.69 3gsv s ARG 81 N 0.47 3.27 -0.12 0.00 3.52 0.38 -1.35 118.95 125.13 3gsv s ARG 81 Ca -0.15 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 3gsv s ARG 81 Cb -0.16 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 3gsv s ARG 81 CO 0.06 -0.14 -0.23 0.08 -0.81 0.00 0.00 175.30 174.26 3gsv s VAL 82 N 1.26 2.04 0.03 7.11 1.01 -0.01 -1.11 120.40 130.72 3gsv s VAL 82 Ca 0.03 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.11 3gsv s VAL 82 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3gsv s VAL 82 CO -0.05 0.55 -0.26 0.21 0.00 0.00 0.00 175.10 175.56 3gsv s ASN 83 N 0.58 3.04 0.15 3.32 3.84 -0.30 -0.74 114.94 124.83 3gsv s ASN 83 Ca -0.13 -0.55 -0.15 0.00 0.21 0.00 0.00 52.86 52.23 3gsv s ASN 83 Cb -0.17 -0.29 0.03 0.00 -0.55 0.00 0.00 41.25 40.27 3gsv s ASN 83 CO 0.04 0.26 0.42 -2.28 -2.79 0.00 0.00 177.10 172.74 3gsv s HIS 84 N -0.75 -0.11 0.47 0.43 5.65 -1.26 -0.80 115.29 118.92 3gsv s HIS 84 Ca 0.11 -0.22 0.15 0.00 0.25 0.00 0.00 55.06 55.35 3gsv s HIS 84 Cb -0.10 0.25 1.13 0.00 -1.18 0.00 0.00 32.58 32.68 3gsv s HIS 84 CO 0.01 -0.76 2.04 -0.24 -0.65 0.00 0.00 174.74 175.14 3gsv h VAL 85 N 2.35 0.93 0.00 0.89 3.04 -1.95 -1.00 116.25 120.50 3gsv h VAL 85 Ca -0.32 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 3gsv h VAL 85 Cb 1.25 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3gsv h VAL 85 CO 0.45 0.05 0.00 0.35 -1.01 0.00 0.00 177.57 177.40 3gsv n THR 86 N -4.47 0.33 -4.48 3.17 -2.24 -1.26 -4.77 114.28 100.56 3gsv n THR 86 Ca 0.06 0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 3gsv n THR 86 Cb 0.29 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.70 3gsv n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gsv s LEU 87 N -2.70 3.16 0.08 3.22 1.43 -0.38 -5.00 118.68 118.48 3gsv s LEU 87 Ca 0.18 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3gsv s LEU 87 Cb 0.15 -1.75 -0.23 0.00 0.03 0.00 0.00 46.19 44.39 3gsv s LEU 87 CO 0.37 0.19 1.20 0.28 0.23 0.00 0.00 176.35 178.61 3gsv h SER 88 N 6.58 0.92 -4.24 2.29 0.02 -1.86 -3.43 113.55 113.82 3gsv h SER 88 Ca -0.32 -0.73 -0.54 0.00 -0.84 0.00 0.00 61.79 59.36 3gsv h SER 88 Cb 1.19 -0.28 -0.23 0.00 0.14 0.00 0.00 62.40 63.22 3gsv h SER 88 CO 0.61 1.53 -0.82 -1.10 -1.14 0.00 0.00 176.83 175.91 3gsv s GLN 89 N -3.34 1.14 0.35 3.45 -1.52 -1.26 -5.12 119.66 113.36 3gsv s GLN 89 Ca -0.10 -1.07 -0.28 0.00 -1.95 0.00 0.00 55.36 51.97 3gsv s GLN 89 Cb 0.07 -1.33 -0.12 0.00 -0.22 0.00 0.00 33.01 31.41 3gsv s GLN 89 CO 0.92 0.32 1.28 -2.30 -0.25 0.00 0.00 175.29 175.26 3gsv n PRO 90 N 1.32 2.09 -3.49 2.91 -0.02 -1.26 -4.95 135.00 131.61 3gsv n PRO 90 Ca -0.19 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 3gsv n PRO 90 Cb 0.54 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3gsv n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gsv s LYS 91 N -1.89 4.25 -0.17 -0.52 2.20 0.08 -4.89 119.74 118.79 3gsv s LYS 91 Ca 0.56 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 56.28 3gsv s LYS 91 Cb -0.57 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 3gsv s LYS 91 CO 0.62 0.17 -0.06 0.42 -0.36 0.00 0.00 175.35 176.15 3gsv s ILE 92 N 0.65 3.56 -0.15 5.43 1.01 -1.26 -0.83 121.20 129.61 3gsv s ILE 92 Ca 0.18 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3gsv s ILE 92 Cb -0.14 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3gsv s ILE 92 CO 0.05 0.47 -0.21 -0.69 0.00 0.00 0.00 174.94 174.57 3gsv s VAL 93 N 0.75 2.13 0.28 2.92 1.01 -0.45 -4.98 120.40 122.06 3gsv s VAL 93 Ca -0.02 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 3gsv s VAL 93 Cb -0.15 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 3gsv s VAL 93 CO 0.02 0.54 0.93 -0.54 0.00 0.00 0.00 175.10 176.05 3gsv s LYS 94 N 0.97 4.68 -0.05 2.72 1.02 -1.26 -0.99 119.74 126.82 3gsv s LYS 94 Ca -0.03 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.03 3gsv s LYS 94 Cb -0.15 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 3gsv s LYS 94 CO -0.05 0.39 1.43 -0.46 -0.92 0.00 0.00 175.35 175.73 3gsv s TRP 95 N -1.42 2.64 -0.35 3.18 -0.00 -0.23 -4.88 118.94 117.86 3gsv s TRP 95 Ca 0.46 0.72 -0.01 0.00 -0.00 0.00 0.00 56.10 57.26 3gsv s TRP 95 Cb -0.22 -3.68 0.08 0.00 -0.00 0.00 0.00 33.47 29.66 3gsv s TRP 95 CO 0.27 -2.59 0.10 0.34 -0.00 0.00 0.00 176.95 175.07 3gsv s ASP 96 N 2.26 5.04 0.39 5.86 2.15 -1.26 -4.75 116.67 126.36 3gsv s ASP 96 Ca 0.64 -1.74 0.21 0.00 0.43 0.00 0.00 52.55 52.08 3gsv s ASP 96 Cb -0.29 -1.75 0.62 0.00 -0.30 0.00 0.00 42.92 41.19 3gsv s ASP 96 CO 0.24 -0.41 1.69 0.08 -0.17 0.00 0.00 175.17 176.61 3gsv h ARG 97 N 7.97 0.00 0.00 4.34 0.11 -1.96 -3.18 114.38 121.65 3gsv h ARG 97 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 3gsv h ARG 97 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 3gsv h ARG 97 CO 0.61 0.31 0.00 -0.25 0.10 0.00 0.00 179.97 180.74 3gsv n ASP 98 N -3.35 0.00 0.00 0.08 10.43 -1.26 -4.97 116.55 117.48 3gsv n ASP 98 Ca 0.01 0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.61 3gsv n ASP 98 Cb 0.53 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 43.08 3gsv n ASP 98 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93