#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m17 s GLN 2 N 0.00 3.24 -0.08 6.28 -0.21 -1.26 -4.64 119.66 122.99 3m17 s GLN 2 Ca 0.00 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.82 3m17 s GLN 2 Cb 0.00 -2.68 -0.00 0.00 1.00 0.00 0.00 33.01 31.33 3m17 s GLN 2 CO 0.00 0.36 -0.24 1.03 -2.12 0.00 0.00 175.29 174.32 3m17 s ARG 3 N -0.01 2.85 0.10 2.91 0.52 -0.23 -4.90 118.95 120.19 3m17 s ARG 3 Ca -0.02 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.01 3m17 s ARG 3 Cb -0.14 -2.24 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 3m17 s ARG 3 CO 0.03 0.25 1.07 -0.08 0.02 0.00 0.00 175.30 176.60 3m17 s THR 4 N 0.16 4.25 0.61 0.02 -1.32 -1.26 -1.63 115.64 116.46 3m17 s THR 4 Ca -0.13 1.77 -0.18 0.00 -1.21 0.00 0.00 61.69 61.94 3m17 s THR 4 Cb -0.16 -4.13 -0.03 0.00 -1.51 0.00 0.00 72.50 66.67 3m17 s THR 4 CO 0.07 0.22 1.20 -2.16 -2.21 0.00 0.00 174.62 171.74 3m17 s PRO 5 N 0.34 2.90 -0.11 7.08 0.04 -1.26 -4.38 135.00 139.61 3m17 s PRO 5 Ca 0.52 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 3m17 s PRO 5 Cb -0.26 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3m17 s PRO 5 CO 0.31 -1.25 0.01 0.21 0.04 0.00 0.00 177.00 176.32 3m17 s LYS 6 N -3.43 3.25 -0.16 4.56 2.20 0.26 -4.93 119.74 121.48 3m17 s LYS 6 Ca 0.76 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3m17 s LYS 6 Cb -0.29 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3m17 s LYS 6 CO 0.34 0.58 -0.17 0.42 -0.36 0.00 0.00 175.35 176.17 3m17 s ILE 7 N -0.54 2.48 -0.02 5.43 1.01 -1.26 -0.73 121.20 127.57 3m17 s ILE 7 Ca 0.09 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.00 3m17 s ILE 7 Cb -0.12 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3m17 s ILE 7 CO 0.02 0.52 -0.25 -1.10 0.00 0.00 0.00 174.94 174.13 3m17 s GLN 8 N 0.98 2.07 -0.10 2.79 -0.21 -0.64 -5.00 119.66 119.56 3m17 s GLN 8 Ca -0.02 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.49 3m17 s GLN 8 Cb -0.15 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 31.92 3m17 s GLN 8 CO -0.04 0.51 -0.12 0.08 -2.12 0.00 0.00 175.29 173.60 3m17 s VAL 9 N -0.52 1.28 0.21 1.09 1.01 -1.26 -0.91 120.40 121.30 3m17 s VAL 9 Ca 0.08 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 3m17 s VAL 9 Cb -0.10 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.12 3m17 s VAL 9 CO -0.00 0.40 0.62 -0.72 0.00 0.00 0.00 175.10 175.39 3m17 s TYR 10 N 1.10 -0.29 0.16 5.22 1.13 -0.99 -4.57 117.35 119.12 3m17 s TYR 10 Ca -0.05 -0.05 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 3m17 s TYR 10 Cb -0.14 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 3m17 s TYR 10 CO -0.02 -1.00 0.31 -1.54 -2.51 0.00 0.00 175.55 170.78 3m17 s SER 11 N -2.85 6.35 0.11 -0.18 1.04 -1.26 -0.53 113.70 116.38 3m17 s SER 11 Ca 0.07 0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.54 3m17 s SER 11 Cb -0.03 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 3m17 s SER 11 CO -0.03 0.03 1.62 -0.09 0.98 0.00 0.00 173.24 175.75 3m17 h ARG 12 N 2.08 0.48 -6.47 4.02 2.43 -1.80 -3.44 114.38 111.68 3m17 h ARG 12 Ca -0.48 -0.11 -0.63 0.00 -0.81 0.00 0.00 59.98 57.95 3m17 h ARG 12 Cb 1.19 -0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.52 3m17 h ARG 12 CO 0.68 0.53 -0.76 -1.01 -1.51 0.00 0.00 179.97 177.90 3m17 s HIS 13 N -5.38 2.48 0.36 2.20 3.76 -1.26 -5.06 115.29 112.39 3m17 s HIS 13 Ca -0.13 -0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 54.24 3m17 s HIS 13 Cb 0.09 -1.20 -0.13 0.00 1.11 0.00 0.00 32.58 32.45 3m17 s HIS 13 CO 0.74 0.53 0.91 -2.30 -0.85 0.00 0.00 174.74 173.77 3m17 n PRO 14 N 0.00 1.16 -2.41 8.40 -0.02 -1.26 -4.88 135.00 135.99 3m17 n PRO 14 Ca -0.11 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 3m17 n PRO 14 Cb 0.56 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 3m17 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m17 s ALA 15 N -1.22 3.44 -0.13 3.55 0.00 -1.26 -5.03 121.76 121.12 3m17 s ALA 15 Ca 0.61 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 3m17 s ALA 15 Cb -0.64 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.04 3m17 s ALA 15 CO 0.58 -0.57 -0.05 -1.21 0.00 0.00 0.00 175.76 174.52 3m17 s GLU 16 N 1.49 1.25 0.14 0.00 2.02 -1.26 -5.07 118.70 117.28 3m17 s GLU 16 Ca 0.58 -0.27 -0.34 0.00 0.02 0.00 0.00 54.97 54.96 3m17 s GLU 16 Cb -0.28 -1.63 -0.16 0.00 0.10 0.00 0.00 34.13 32.16 3m17 s GLU 16 CO 0.27 -0.35 1.33 0.09 0.02 0.00 0.00 175.26 176.62 3m17 n ASN 17 N 4.97 1.90 0.00 -0.19 3.02 -1.26 -1.24 115.26 122.46 3m17 n ASN 17 Ca -0.11 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3m17 n ASN 17 Cb 0.49 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3m17 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m17 n GLY 18 N 2.45 1.55 3.42 7.41 0.00 -0.73 -5.02 105.19 114.28 3m17 n GLY 18 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3m17 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m17 s LYS 19 N -0.15 3.58 0.42 1.61 2.20 -0.37 -5.01 119.74 122.02 3m17 s LYS 19 Ca 0.00 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 54.83 3m17 s LYS 19 Cb 0.00 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 33.09 3m17 s LYS 19 CO 0.00 -0.08 1.24 0.45 -0.36 0.00 0.00 175.35 176.59 3m17 n SER 20 N 4.53 2.36 -1.12 1.43 2.88 -1.26 -4.28 113.62 118.17 3m17 n SER 20 Ca -0.17 1.09 -0.01 0.00 -1.33 0.00 0.00 58.87 58.46 3m17 n SER 20 Cb 0.51 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3m17 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3m17 n ASN 21 N 0.21 -0.12 -4.16 -3.46 2.85 0.51 -4.99 115.26 106.09 3m17 n ASN 21 Ca 0.07 -1.11 -0.24 0.00 -0.11 0.00 0.00 54.58 53.19 3m17 n ASN 21 Cb 0.40 0.20 -0.15 0.00 1.24 0.00 0.00 39.78 41.47 3m17 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3m17 s PHE 22 N -6.90 1.50 -0.10 1.20 0.08 -1.26 -1.83 117.98 110.66 3m17 s PHE 22 Ca 0.01 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3m17 s PHE 22 Cb -0.00 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 3m17 s PHE 22 CO 0.01 -0.02 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.90 3m17 s LEU 23 N -0.46 3.26 -0.03 -0.37 2.96 -0.30 -2.06 118.68 121.68 3m17 s LEU 23 Ca 0.06 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3m17 s LEU 23 Cb -0.07 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3m17 s LEU 23 CO -0.00 0.29 -0.26 0.20 -1.32 0.00 0.00 176.35 175.26 3m17 s ASN 24 N -0.38 3.03 -0.23 3.68 0.01 0.31 -2.06 114.94 119.30 3m17 s ASN 24 Ca 0.06 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.76 3m17 s ASN 24 Cb -0.12 -0.42 0.05 0.00 0.41 0.00 0.00 41.25 41.17 3m17 s ASN 24 CO 0.02 0.31 -0.12 0.00 -1.51 0.00 0.00 177.10 175.80 3m17 s TYR 26 N 1.21 3.26 -0.32 0.00 5.04 -0.09 -0.90 117.35 125.55 3m17 s TYR 26 Ca -0.05 -0.91 -0.11 0.00 -2.44 0.00 0.00 57.07 53.56 3m17 s TYR 26 Cb -0.18 -2.84 -0.02 0.00 0.35 0.00 0.00 41.96 39.27 3m17 s TYR 26 CO -0.07 -0.72 0.20 0.08 -1.34 0.00 0.00 175.55 173.70 3m17 s VAL 27 N 1.61 5.06 0.16 3.14 1.01 -0.22 -1.62 120.40 129.55 3m17 s VAL 27 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3m17 s VAL 27 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3m17 s VAL 27 CO 0.07 0.08 0.03 -0.94 0.00 0.00 0.00 175.10 174.34 3m17 s SER 28 N 1.70 0.90 -0.08 3.32 1.04 0.09 -0.23 113.70 120.43 3m17 s SER 28 Ca 0.06 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3m17 s SER 28 Cb -0.17 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3m17 s SER 28 CO 0.09 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3m17 n GLY 29 N -0.21 0.48 3.91 7.32 0.00 -0.17 0.90 105.19 117.43 3m17 n GLY 29 Ca -0.06 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 3m17 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3m17 s PHE 30 N -2.00 2.64 -0.29 1.61 -0.71 -1.11 -4.42 117.98 113.70 3m17 s PHE 30 Ca 0.00 -0.50 -0.21 0.00 -1.04 0.00 0.00 56.93 55.18 3m17 s PHE 30 Cb 0.00 -2.20 0.15 0.00 -1.21 0.00 0.00 43.02 39.75 3m17 s PHE 30 CO 0.00 -0.23 1.10 -1.58 -1.34 0.00 0.00 175.22 173.17 3m17 s HIS 31 N -2.47 -0.41 0.86 3.49 2.46 -0.65 -0.72 115.29 117.86 3m17 s HIS 31 Ca 0.49 0.90 -0.15 0.00 0.47 0.00 0.00 55.06 56.78 3m17 s HIS 31 Cb -0.05 0.35 0.20 0.00 -0.13 0.00 0.00 32.58 32.96 3m17 s HIS 31 CO 0.29 -0.20 1.02 -0.35 -2.47 0.00 0.00 174.74 173.03 3m17 n PRO 32 N 2.74 -1.62 0.20 2.88 -0.04 -1.26 -1.06 135.00 136.84 3m17 n PRO 32 Ca -0.15 -1.59 0.09 0.00 -0.04 0.00 0.00 63.50 61.81 3m17 n PRO 32 Cb 0.57 -1.19 0.29 0.00 -0.04 0.00 0.00 33.50 33.13 3m17 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3m17 h SER 33 N -1.75 0.00 -2.07 3.54 4.64 -2.00 -3.44 113.55 112.48 3m17 h SER 33 Ca -0.35 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.40 3m17 h SER 33 Cb 0.98 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3m17 h SER 33 CO 0.24 0.24 1.33 0.47 -0.87 0.00 0.00 176.83 178.24 3m17 n ASP 34 N -3.25 3.56 -3.72 4.97 10.43 -1.26 -4.94 116.55 122.34 3m17 n ASP 34 Ca 0.02 0.60 -0.13 0.00 2.57 0.00 0.00 54.79 57.84 3m17 n ASP 34 Cb 0.53 -1.50 -0.10 0.00 1.84 0.00 0.00 41.12 41.90 3m17 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3m17 s ILE 35 N 6.13 0.00 -0.12 0.53 2.07 -1.26 -4.66 121.20 123.89 3m17 s ILE 35 Ca 0.96 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 60.19 3m17 s ILE 35 Cb -0.47 -0.63 -0.00 0.00 0.13 0.00 0.00 42.46 41.49 3m17 s ILE 35 CO 0.41 -0.01 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.54 3m17 s GLU 36 N 0.13 3.18 -0.08 3.50 -6.30 -0.78 -5.01 118.70 113.34 3m17 s GLU 36 Ca -0.01 -0.79 0.01 0.00 -2.50 0.00 0.00 54.97 51.68 3m17 s GLU 36 Cb -0.03 -2.47 0.02 0.00 0.00 0.00 0.00 34.13 31.64 3m17 s GLU 36 CO 0.01 0.14 -0.09 0.08 0.02 0.00 0.00 175.26 175.42 3m17 s VAL 37 N 0.47 1.01 -0.07 3.70 1.01 -1.26 -0.82 120.40 124.45 3m17 s VAL 37 Ca -0.13 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3m17 s VAL 37 Cb -0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3m17 s VAL 37 CO 0.05 0.34 -0.19 -1.81 0.00 0.00 0.00 175.10 173.49 3m17 s ASP 38 N 1.16 3.57 -0.07 3.32 1.01 0.60 -4.99 116.67 121.27 3m17 s ASP 38 Ca -0.06 -0.37 -0.11 0.00 0.71 0.00 0.00 52.55 52.73 3m17 s ASP 38 Cb -0.14 -0.95 -0.05 0.00 1.01 0.00 0.00 42.92 42.79 3m17 s ASP 38 CO -0.02 0.27 0.27 -0.76 0.21 0.00 0.00 175.17 175.14 3m17 s LEU 39 N -0.29 4.41 -0.13 1.23 1.43 -1.26 0.14 118.68 124.20 3m17 s LEU 39 Ca 0.01 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 3m17 s LEU 39 Cb -0.13 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3m17 s LEU 39 CO 0.03 0.34 -0.18 -0.76 0.23 0.00 0.00 176.35 176.01 3m17 s LEU 40 N -0.89 1.87 -0.45 1.79 1.43 0.10 -0.37 118.68 122.17 3m17 s LEU 40 Ca 0.19 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3m17 s LEU 40 Cb -0.14 -1.25 0.08 0.00 0.03 0.00 0.00 46.19 44.90 3m17 s LEU 40 CO 0.08 0.02 0.33 -0.75 0.23 0.00 0.00 176.35 176.26 3m17 s LYS 41 N 1.04 2.78 -1.34 1.70 2.20 0.12 -1.35 119.74 124.88 3m17 s LYS 41 Ca -0.04 -1.42 -0.02 0.00 -0.36 0.00 0.00 55.97 54.13 3m17 s LYS 41 Cb -0.15 -3.96 0.01 0.00 -1.51 0.00 0.00 37.83 32.23 3m17 s LYS 41 CO -0.04 -1.00 0.74 0.09 -0.36 0.00 0.00 175.35 174.78 3m17 n ASN 42 N 5.06 -1.72 0.00 1.43 3.02 0.37 -2.39 115.26 121.03 3m17 n ASN 42 Ca -0.11 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3m17 n ASN 42 Cb 0.43 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 3m17 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m17 n GLY 43 N -1.60 2.93 3.85 7.41 0.00 -1.26 -5.01 105.19 111.50 3m17 n GLY 43 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3m17 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m17 s GLU 44 N -0.19 3.91 0.44 1.61 2.02 -1.00 -4.99 118.70 120.50 3m17 s GLU 44 Ca 0.00 0.38 -0.25 0.00 0.02 0.00 0.00 54.97 55.12 3m17 s GLU 44 Cb 0.00 -3.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 3m17 s GLU 44 CO 0.00 0.54 1.35 0.54 0.02 0.00 0.00 175.26 177.71 3m17 n ARG 45 N 1.01 2.07 -3.19 1.61 1.74 -1.26 0.11 116.66 118.75 3m17 n ARG 45 Ca -0.08 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.35 3m17 n ARG 45 Cb 0.52 -2.51 -0.07 0.00 -1.02 0.00 0.00 32.46 29.38 3m17 n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m17 s ILE 46 N -1.20 5.06 -0.02 0.55 1.01 0.50 -4.70 121.20 122.40 3m17 s ILE 46 Ca 0.62 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 62.09 3m17 s ILE 46 Cb -0.47 -3.88 -0.28 0.00 0.01 0.00 0.00 42.46 37.83 3m17 s ILE 46 CO 0.57 0.13 0.99 -0.33 0.00 0.00 0.00 174.94 176.30 3m17 h GLU 47 N 7.60 0.37 -4.41 2.79 4.39 -1.94 -3.38 114.58 120.00 3m17 h GLU 47 Ca -0.31 -0.52 -0.73 0.00 0.34 0.00 0.00 59.36 58.14 3m17 h GLU 47 Cb 1.15 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 29.85 3m17 h GLU 47 CO 0.75 1.21 2.12 1.63 -1.16 0.00 0.00 179.01 183.56 3m17 n LYS 48 N -4.12 3.31 -4.47 2.33 4.76 -1.26 -4.95 118.16 113.75 3m17 n LYS 48 Ca -0.13 -3.37 -0.31 0.00 -2.87 0.00 0.00 58.31 51.63 3m17 n LYS 48 Cb 0.79 -3.15 -0.11 0.00 -1.84 0.00 0.00 35.03 30.72 3m17 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3m17 s VAL 49 N 2.07 3.43 0.20 -0.18 1.01 -1.26 -4.65 120.40 121.01 3m17 s VAL 49 Ca 0.45 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3m17 s VAL 49 Cb 0.06 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3m17 s VAL 49 CO -0.00 0.34 -0.15 -1.61 0.00 0.00 0.00 175.10 173.67 3m17 s GLU 50 N -1.55 1.33 0.06 2.72 2.02 0.07 -4.99 118.70 118.36 3m17 s GLU 50 Ca 0.17 -1.55 -0.00 0.00 0.02 0.00 0.00 54.97 53.61 3m17 s GLU 50 Cb -0.11 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3m17 s GLU 50 CO 0.08 0.21 -0.04 -3.38 0.02 0.00 0.00 175.26 172.15 3m17 s HIS 51 N -2.74 0.62 0.72 1.61 -3.43 -1.26 0.15 115.29 110.95 3m17 s HIS 51 Ca 0.21 -1.02 -0.03 0.00 -0.80 0.00 0.00 55.06 53.42 3m17 s HIS 51 Cb -0.02 -0.42 0.11 0.00 -1.43 0.00 0.00 32.58 30.81 3m17 s HIS 51 CO 0.07 -0.31 1.00 -1.54 -2.00 0.00 0.00 174.74 171.96 3m17 s SER 52 N -2.94 4.43 0.16 7.38 1.04 -0.57 -5.01 113.70 118.20 3m17 s SER 52 Ca 0.08 -0.09 -0.31 0.00 0.48 0.00 0.00 55.95 56.11 3m17 s SER 52 Cb 0.07 -0.38 -0.10 0.00 0.10 0.00 0.00 66.02 65.72 3m17 s SER 52 CO -0.08 -1.80 1.52 -1.81 0.98 0.00 0.00 173.24 172.04 3m17 s ASP 53 N -4.67 6.64 -0.31 7.02 1.01 -1.26 -4.70 116.67 120.41 3m17 s ASP 53 Ca 0.65 2.56 -0.33 0.00 0.71 0.00 0.00 52.55 56.15 3m17 s ASP 53 Cb -0.07 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 3m17 s ASP 53 CO 0.44 -0.78 2.21 -0.11 0.21 0.00 0.00 175.17 177.15 3m17 n LEU 54 N 3.77 2.49 -4.67 1.23 0.00 -1.26 -4.83 117.00 113.72 3m17 n LEU 54 Ca 0.12 0.31 -0.30 0.00 0.00 0.00 0.00 56.01 56.15 3m17 n LEU 54 Cb 0.39 -1.37 -0.08 0.00 0.00 0.00 0.00 43.42 42.37 3m17 n LEU 54 CO 0.61 -0.74 -0.24 -0.55 0.00 0.00 0.00 177.39 176.46 3m17 s SER 55 N 7.81 3.70 -0.01 1.96 0.15 -0.73 -4.99 113.70 121.59 3m17 s SER 55 Ca 1.07 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.99 3m17 s SER 55 Cb -0.67 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 3m17 s SER 55 CO 0.44 -0.83 0.20 0.72 1.20 0.00 0.00 173.24 174.97 3m17 s PHE 56 N -2.96 -0.05 0.44 3.44 -0.12 -1.26 -0.10 117.98 117.36 3m17 s PHE 56 Ca 0.14 0.04 -0.06 0.00 -0.05 0.00 0.00 56.93 57.00 3m17 s PHE 56 Cb 0.03 0.01 0.10 0.00 -0.63 0.00 0.00 43.02 42.53 3m17 s PHE 56 CO 0.08 -0.31 0.60 -1.13 -0.05 0.00 0.00 175.22 174.41 3m17 n SER 57 N 1.49 0.16 0.20 1.98 3.41 -0.58 -4.94 113.62 115.34 3m17 n SER 57 Ca -0.22 -1.29 0.14 0.00 -0.26 0.00 0.00 58.87 57.25 3m17 n SER 57 Cb 0.56 -0.45 0.52 0.00 -0.26 0.00 0.00 64.21 64.58 3m17 n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3m17 h LYS 58 N 0.00 0.00 -0.70 4.33 1.79 -2.03 -2.13 116.57 117.84 3m17 h LYS 58 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3m17 h LYS 58 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3m17 h LYS 58 CO 0.15 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.12 3m17 n ASP 59 N -2.71 3.30 0.00 0.86 5.75 -1.26 -4.90 116.55 117.59 3m17 n ASP 59 Ca 0.02 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 3m17 n ASP 59 Cb 0.32 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 3m17 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3m17 n TRP 60 N 0.41 0.00 -2.86 2.11 7.02 -0.80 -4.98 117.44 118.34 3m17 n TRP 60 Ca 0.15 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.23 3m17 n TRP 60 Cb 0.68 -1.24 -0.06 0.00 -2.42 0.00 0.00 31.31 28.28 3m17 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3m17 s SER 61 N -2.14 7.48 0.42 -0.99 1.04 -1.26 -4.81 113.70 113.45 3m17 s SER 61 Ca 0.00 1.75 -0.22 0.00 0.48 0.00 0.00 55.95 57.96 3m17 s SER 61 Cb 0.00 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 3m17 s SER 61 CO 0.00 0.13 1.00 -0.36 0.98 0.00 0.00 173.24 174.99 3m17 s PHE 62 N -0.88 3.28 0.03 5.02 0.08 0.10 -1.53 117.98 124.09 3m17 s PHE 62 Ca 0.39 1.64 0.00 0.00 0.12 0.00 0.00 56.93 59.08 3m17 s PHE 62 Cb -0.24 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 3m17 s PHE 62 CO 0.28 -0.37 -0.04 1.52 -0.10 0.00 0.00 175.22 176.52 3m17 s TYR 63 N -1.91 0.41 -0.03 0.36 -0.85 0.85 -1.00 117.35 115.18 3m17 s TYR 63 Ca 0.60 -0.66 -0.15 0.00 -0.52 0.00 0.00 57.07 56.34 3m17 s TYR 63 Cb -0.16 -0.28 0.03 0.00 0.38 0.00 0.00 41.96 41.93 3m17 s TYR 63 CO 0.20 -0.21 0.33 -1.17 -1.52 0.00 0.00 175.55 173.18 3m17 s LEU 64 N -1.86 0.76 -0.13 -3.49 0.20 0.68 -1.78 118.68 113.06 3m17 s LEU 64 Ca -0.09 0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.94 3m17 s LEU 64 Cb -0.05 1.32 0.01 0.00 -0.43 0.00 0.00 46.19 47.03 3m17 s LEU 64 CO -0.03 -0.41 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.21 3m17 s LEU 65 N -1.13 1.94 -0.16 -0.68 2.96 -1.26 -1.05 118.68 119.29 3m17 s LEU 65 Ca -0.12 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 3m17 s LEU 65 Cb -0.05 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3m17 s LEU 65 CO 0.04 0.04 0.03 -0.31 -1.32 0.00 0.00 176.35 174.83 3m17 s TYR 66 N 0.95 3.18 0.03 5.38 1.51 -0.08 -1.51 117.35 126.81 3m17 s TYR 66 Ca -0.05 -0.03 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 3m17 s TYR 66 Cb -0.15 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3m17 s TYR 66 CO -0.03 0.13 0.01 1.52 -1.11 0.00 0.00 175.55 176.07 3m17 s TYR 67 N 0.24 0.29 0.03 2.71 1.13 0.12 0.06 117.35 121.94 3m17 s TYR 67 Ca 0.02 -0.62 -0.08 0.00 -1.41 0.00 0.00 57.07 54.98 3m17 s TYR 67 Cb -0.13 -0.22 -0.00 0.00 -1.10 0.00 0.00 41.96 40.51 3m17 s TYR 67 CO 0.01 -0.28 0.16 -0.08 -2.51 0.00 0.00 175.55 172.85 3m17 s THR 68 N -2.25 0.11 -0.16 -3.49 -1.32 -0.87 -0.75 115.64 106.90 3m17 s THR 68 Ca -0.08 -0.91 -0.22 0.00 -1.21 0.00 0.00 61.69 59.27 3m17 s THR 68 Cb -0.04 -0.81 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 3m17 s THR 68 CO -0.04 -0.50 0.67 -0.70 -2.21 0.00 0.00 174.62 171.84 3m17 s GLU 69 N -2.33 4.28 0.25 7.08 2.12 -1.26 -1.15 118.70 127.69 3m17 s GLU 69 Ca -0.07 0.73 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 3m17 s GLU 69 Cb -0.02 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3m17 s GLU 69 CO -0.03 -0.17 0.27 -0.59 -0.54 0.00 0.00 175.26 174.20 3m17 s PHE 70 N 1.65 1.07 -0.20 5.30 -0.71 -0.76 -4.97 117.98 119.37 3m17 s PHE 70 Ca 0.32 -1.28 -0.02 0.00 -1.04 0.00 0.00 56.93 54.92 3m17 s PHE 70 Cb -0.16 -0.37 0.06 0.00 -1.21 0.00 0.00 43.02 41.34 3m17 s PHE 70 CO 0.12 -0.81 0.00 0.99 -1.34 0.00 0.00 175.22 174.18 3m17 s THR 71 N -3.88 0.84 0.53 -4.49 2.01 -1.26 -0.37 115.64 109.02 3m17 s THR 71 Ca 0.35 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 61.41 3m17 s THR 71 Cb 0.04 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 3m17 s THR 71 CO 0.15 -0.14 1.31 -2.16 -0.69 0.00 0.00 174.62 173.09 3m17 s PRO 72 N 1.72 3.27 0.02 4.92 0.04 -1.26 -4.82 135.00 138.88 3m17 s PRO 72 Ca -0.02 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3m17 s PRO 72 Cb -0.17 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3m17 s PRO 72 CO -0.07 -1.05 -0.03 0.99 0.04 0.00 0.00 177.00 176.88 3m17 s THR 73 N -1.37 0.14 0.28 1.26 2.01 -1.26 -1.77 115.64 114.93 3m17 s THR 73 Ca 0.70 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3m17 s THR 73 Cb -0.37 -0.24 0.27 0.00 0.01 0.00 0.00 72.50 72.17 3m17 s THR 73 CO 0.44 -0.33 1.81 -0.08 -0.69 0.00 0.00 174.62 175.78 3m17 h GLU 74 N 5.09 0.87 -0.07 4.92 4.57 -1.98 -2.61 114.58 125.39 3m17 h GLU 74 Ca -0.30 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.63 3m17 h GLU 74 Cb 1.21 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.61 3m17 h GLU 74 CO 0.44 0.58 -0.71 0.87 -1.18 0.00 0.00 179.01 179.01 3m17 h LYS 75 N 0.90 0.60 -6.85 1.92 6.56 -2.03 -3.46 116.57 114.20 3m17 h LYS 75 Ca 0.50 -0.55 -0.53 0.00 -1.06 0.00 0.00 60.65 59.00 3m17 h LYS 75 Cb 0.56 0.14 0.09 0.00 -0.57 0.00 0.00 32.23 32.45 3m17 h LYS 75 CO -0.29 1.17 0.84 -0.51 -2.06 0.00 0.00 179.45 178.60 3m17 s ASP 76 N -6.92 6.37 -0.09 0.86 -0.00 -0.98 -5.02 116.67 110.88 3m17 s ASP 76 Ca -0.12 2.98 0.04 0.00 -0.00 0.00 0.00 52.55 55.46 3m17 s ASP 76 Cb 0.06 -2.65 -0.00 0.00 -0.00 0.00 0.00 42.92 40.33 3m17 s ASP 76 CO 0.86 -0.89 -0.24 -1.83 -0.00 0.00 0.00 175.17 173.07 3m17 s GLU 77 N -1.09 2.92 0.13 8.23 1.03 -1.26 -4.74 118.70 123.92 3m17 s GLU 77 Ca 0.59 -0.88 0.09 0.00 0.03 0.00 0.00 54.97 54.81 3m17 s GLU 77 Cb -0.47 -2.28 -0.04 0.00 -0.80 0.00 0.00 34.13 30.54 3m17 s GLU 77 CO 0.53 0.24 -0.17 0.71 -1.33 0.00 0.00 175.26 175.25 3m17 s TYR 78 N 0.19 2.55 0.14 4.83 2.02 -1.26 -0.48 117.35 125.34 3m17 s TYR 78 Ca -0.14 -0.26 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 3m17 s TYR 78 Cb -0.17 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 3m17 s TYR 78 CO 0.07 0.42 0.29 0.00 -1.57 0.00 0.00 175.55 174.76 3m17 s ALA 79 N -1.28 -0.27 -0.15 3.71 0.00 -0.46 -0.30 121.76 123.00 3m17 s ALA 79 Ca 0.20 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3m17 s ALA 79 Cb -0.10 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.73 3m17 s ALA 79 CO 0.11 -0.61 -0.19 0.00 0.00 0.00 0.00 175.76 175.07 3m17 s ARG 81 N 0.90 3.59 -0.03 0.00 3.52 0.12 -0.82 118.95 126.23 3m17 s ARG 81 Ca -0.04 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3m17 s ARG 81 Cb -0.15 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 3m17 s ARG 81 CO -0.03 0.38 -0.05 0.08 -0.81 0.00 0.00 175.30 174.87 3m17 s VAL 82 N 0.03 0.51 0.02 7.11 1.01 -0.30 -0.29 120.40 128.48 3m17 s VAL 82 Ca 0.03 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.93 3m17 s VAL 82 Cb -0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3m17 s VAL 82 CO 0.02 0.20 -0.22 0.21 0.00 0.00 0.00 175.10 175.31 3m17 s ASN 83 N 0.64 2.64 0.08 3.32 3.84 0.00 -1.11 114.94 124.35 3m17 s ASN 83 Ca -0.08 -0.47 -0.22 0.00 0.21 0.00 0.00 52.86 52.29 3m17 s ASN 83 Cb -0.12 -0.26 0.06 0.00 -0.55 0.00 0.00 41.25 40.38 3m17 s ASN 83 CO 0.00 0.23 0.54 -2.28 -2.79 0.00 0.00 177.10 172.80 3m17 s HIS 84 N -0.66 -0.44 0.57 0.43 5.65 -1.26 -1.88 115.29 117.69 3m17 s HIS 84 Ca 0.09 0.40 0.28 0.00 0.25 0.00 0.00 55.06 56.08 3m17 s HIS 84 Cb -0.09 0.40 1.74 0.00 -1.18 0.00 0.00 32.58 33.45 3m17 s HIS 84 CO 0.01 -0.71 2.23 -0.39 -0.65 0.00 0.00 174.74 175.23 3m17 h VAL 85 N 2.52 0.57 0.00 0.89 -1.51 -1.95 -1.30 116.25 115.47 3m17 h VAL 85 Ca -0.32 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3m17 h VAL 85 Cb 1.24 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3m17 h VAL 85 CO 0.41 0.02 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 3m17 n THR 86 N -3.87 0.65 -4.25 7.19 -2.24 -1.26 -4.78 114.28 105.71 3m17 n THR 86 Ca -0.03 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 3m17 n THR 86 Cb 0.10 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 3m17 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3m17 s LEU 87 N -4.28 3.58 -0.02 3.22 1.43 -0.49 -5.01 118.68 117.11 3m17 s LEU 87 Ca 0.08 0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 3m17 s LEU 87 Cb 0.12 -1.86 -0.15 0.00 0.03 0.00 0.00 46.19 44.33 3m17 s LEU 87 CO 0.50 0.25 0.98 0.28 0.23 0.00 0.00 176.35 178.59 3m17 h SER 88 N 6.11 -0.34 -2.64 2.29 0.02 -1.86 -3.44 113.55 113.68 3m17 h SER 88 Ca -0.40 -0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 59.77 3m17 h SER 88 Cb 1.18 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.71 3m17 h SER 88 CO 0.62 0.11 -0.65 0.00 -1.14 0.00 0.00 176.83 175.77 3m17 s GLN 89 N -3.96 2.38 0.33 3.45 -2.07 -1.26 -5.09 119.66 113.44 3m17 s GLN 89 Ca -0.12 -1.20 -0.29 0.00 -1.82 0.00 0.00 55.36 51.92 3m17 s GLN 89 Cb 0.01 -2.30 -0.11 0.00 -1.09 0.00 0.00 33.01 29.52 3m17 s GLN 89 CO 0.46 0.42 1.52 -1.25 -1.32 0.00 0.00 175.29 175.12 3m17 s PRO 90 N -3.21 4.14 -0.26 9.60 0.04 -1.26 -4.93 135.00 139.12 3m17 s PRO 90 Ca 0.29 2.53 -0.14 0.00 0.04 0.00 0.00 61.00 63.72 3m17 s PRO 90 Cb -0.08 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3m17 s PRO 90 CO 0.19 -0.55 0.33 0.21 0.04 0.00 0.00 177.00 177.23 3m17 s LYS 91 N -1.23 4.03 -0.23 4.56 2.47 -0.27 -4.90 119.74 124.17 3m17 s LYS 91 Ca 0.58 -0.02 -0.08 0.00 -1.56 0.00 0.00 55.97 54.88 3m17 s LYS 91 Cb -0.46 -3.63 -0.04 0.00 -1.46 0.00 0.00 37.83 32.24 3m17 s LYS 91 CO 0.54 -0.20 0.10 0.42 0.16 0.00 0.00 175.35 176.36 3m17 s ILE 92 N 1.84 4.77 -0.24 5.43 1.01 -1.26 -1.15 121.20 131.59 3m17 s ILE 92 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 3m17 s ILE 92 Cb -0.15 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.14 3m17 s ILE 92 CO 0.09 0.37 -0.07 -0.69 0.00 0.00 0.00 174.94 174.65 3m17 s VAL 93 N 1.09 2.82 0.54 2.92 1.01 0.00 -4.98 120.40 123.80 3m17 s VAL 93 Ca 0.05 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 3m17 s VAL 93 Cb -0.14 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 3m17 s VAL 93 CO 0.04 0.22 1.15 -0.54 0.00 0.00 0.00 175.10 175.97 3m17 s LYS 94 N 1.32 3.35 -0.60 2.72 -0.14 -1.26 -1.09 119.74 124.03 3m17 s LYS 94 Ca 0.00 1.68 -0.27 0.00 -1.36 0.00 0.00 55.97 56.03 3m17 s LYS 94 Cb -0.16 -2.06 0.03 0.00 -1.68 0.00 0.00 37.83 33.96 3m17 s LYS 94 CO -0.05 -0.87 1.14 -0.46 -0.76 0.00 0.00 175.35 174.35 3m17 s TRP 95 N -1.70 2.60 -0.81 3.18 -0.00 0.59 -4.88 118.94 117.92 3m17 s TRP 95 Ca 0.72 0.22 -0.25 0.00 -0.00 0.00 0.00 56.10 56.79 3m17 s TRP 95 Cb -0.26 -4.42 0.05 0.00 -0.00 0.00 0.00 33.47 28.83 3m17 s TRP 95 CO 0.29 -1.61 1.26 0.34 -0.00 0.00 0.00 176.95 177.24 3m17 s ASP 96 N 3.07 6.28 0.38 5.86 -1.08 -1.26 -4.78 116.67 125.14 3m17 s ASP 96 Ca 0.38 -0.91 -0.27 0.00 -0.52 0.00 0.00 52.55 51.24 3m17 s ASP 96 Cb -0.09 -2.53 -0.09 0.00 -1.46 0.00 0.00 42.92 38.75 3m17 s ASP 96 CO 0.22 -1.64 1.34 0.00 0.52 0.00 0.00 175.17 175.62 3m17 s ARG 97 N 5.07 4.07 -0.24 4.34 1.70 -1.26 -3.28 118.95 129.35 3m17 s ARG 97 Ca 0.36 2.26 -0.01 0.00 -0.47 0.00 0.00 55.73 57.87 3m17 s ARG 97 Cb -0.07 -2.87 -0.01 0.00 -0.57 0.00 0.00 34.95 31.43 3m17 s ARG 97 CO 0.06 -0.44 0.21 -0.25 -1.08 0.00 0.00 175.30 173.80 3m17 n ASP 98 N 0.34 -3.28 0.00 -2.89 8.00 -1.26 -5.12 116.55 112.34 3m17 n ASP 98 Ca 0.02 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3m17 n ASP 98 Cb 0.42 -1.83 0.00 0.00 -0.02 0.00 0.00 41.12 39.69 3m17 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61