#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zvs s GLN 2 N 0.00 3.56 -0.11 9.51 -0.21 -1.26 -4.80 119.66 126.35 1zvs s GLN 2 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.81 1zvs s GLN 2 Cb 0.00 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 1zvs s GLN 2 CO 0.00 -0.17 0.03 1.03 -2.12 0.00 0.00 175.29 174.06 1zvs s ARG 3 N 1.51 3.26 0.40 2.91 0.52 -0.10 -4.90 118.95 122.55 1zvs s ARG 3 Ca 0.06 -0.36 -0.24 0.00 -0.52 0.00 0.00 55.73 54.67 1zvs s ARG 3 Cb -0.15 -2.93 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 1zvs s ARG 3 CO 0.01 0.61 1.05 -0.08 0.02 0.00 0.00 175.30 176.92 1zvs s THR 4 N -0.62 3.70 0.27 0.02 -1.32 -1.26 -1.10 115.64 115.33 1zvs s THR 4 Ca 0.11 1.29 -0.30 0.00 -1.21 0.00 0.00 61.69 61.58 1zvs s THR 4 Cb -0.12 -3.66 -0.10 0.00 -1.51 0.00 0.00 72.50 67.11 1zvs s THR 4 CO 0.02 -0.01 1.48 -2.16 -2.21 0.00 0.00 174.62 171.74 1zvs s PRO 5 N -2.54 4.23 -0.38 7.08 0.04 -1.26 -4.41 135.00 137.77 1zvs s PRO 5 Ca 0.58 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 63.83 1zvs s PRO 5 Cb -0.22 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1zvs s PRO 5 CO 0.27 -0.47 0.47 0.21 0.04 0.00 0.00 177.00 177.53 1zvs s LYS 6 N -0.51 3.42 -0.03 4.56 2.20 0.57 -4.85 119.74 125.10 1zvs s LYS 6 Ca 0.60 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1zvs s LYS 6 Cb -0.43 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 31.98 1zvs s LYS 6 CO 0.45 -0.72 0.20 0.42 -0.36 0.00 0.00 175.35 175.35 1zvs s ILE 7 N 2.28 5.40 -0.10 5.43 1.01 -1.26 -1.07 121.20 132.89 1zvs s ILE 7 Ca 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 1zvs s ILE 7 Cb -0.16 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1zvs s ILE 7 CO 0.14 0.40 0.24 -1.10 0.00 0.00 0.00 174.94 174.62 1zvs s GLN 8 N -1.69 0.23 -0.12 2.79 -0.21 -0.95 -5.00 119.66 114.72 1zvs s GLN 8 Ca 0.25 0.45 0.02 0.00 0.02 0.00 0.00 55.36 56.10 1zvs s GLN 8 Cb -0.13 -0.02 0.01 0.00 1.00 0.00 0.00 33.01 33.87 1zvs s GLN 8 CO 0.15 -0.11 -0.17 0.08 -2.12 0.00 0.00 175.29 173.12 1zvs s VAL 9 N 0.83 1.62 0.24 1.09 1.01 -1.26 -1.23 120.40 122.69 1zvs s VAL 9 Ca -0.06 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1zvs s VAL 9 Cb -0.07 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.88 1zvs s VAL 9 CO -0.05 0.47 0.68 -0.72 0.00 0.00 0.00 175.10 175.48 1zvs s TYR 10 N 0.99 -0.31 0.29 5.22 1.13 -0.73 -4.48 117.35 119.47 1zvs s TYR 10 Ca -0.06 -0.07 -0.01 0.00 -1.41 0.00 0.00 57.07 55.52 1zvs s TYR 10 Cb -0.15 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1zvs s TYR 10 CO -0.02 -1.10 0.51 -1.54 -2.51 0.00 0.00 175.55 170.88 1zvs s SER 11 N -2.86 6.35 0.14 -0.18 1.04 -1.26 -0.26 113.70 116.67 1zvs s SER 11 Ca 0.08 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.88 1zvs s SER 11 Cb -0.04 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 1zvs s SER 11 CO 0.00 -0.20 1.54 -0.09 0.98 0.00 0.00 173.24 175.47 1zvs h ARG 12 N 1.29 0.90 -5.72 4.02 2.43 -1.76 -3.45 114.38 112.09 1zvs h ARG 12 Ca -0.49 -0.37 -0.62 0.00 -0.81 0.00 0.00 59.98 57.70 1zvs h ARG 12 Cb 1.21 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.60 1zvs h ARG 12 CO 0.64 1.02 -0.58 -1.01 -1.51 0.00 0.00 179.97 178.53 1zvs s HIS 13 N -4.72 2.54 0.32 2.20 3.76 -1.26 -5.04 115.29 113.08 1zvs s HIS 13 Ca -0.12 -0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 53.85 1zvs s HIS 13 Cb 0.11 -1.81 -0.12 0.00 1.11 0.00 0.00 32.58 31.87 1zvs s HIS 13 CO 0.85 0.39 1.49 -2.30 -0.85 0.00 0.00 174.74 174.32 1zvs n PRO 14 N -1.03 2.49 -1.93 8.40 -0.02 -1.26 -4.88 135.00 136.77 1zvs n PRO 14 Ca -0.04 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 1zvs n PRO 14 Cb 0.66 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1zvs n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zvs s ALA 15 N -0.49 3.59 -0.30 3.55 0.00 -1.26 -5.00 121.76 121.85 1zvs s ALA 15 Ca 0.60 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 1zvs s ALA 15 Cb -0.53 -3.57 0.13 0.00 0.00 0.00 0.00 23.12 19.16 1zvs s ALA 15 CO 0.55 -0.86 0.26 -2.00 0.00 0.00 0.00 175.76 173.71 1zvs s GLU 16 N -1.40 0.33 -0.12 0.00 2.12 -1.26 -5.11 118.70 113.25 1zvs s GLU 16 Ca 0.55 -0.33 -0.41 0.00 0.36 0.00 0.00 54.97 55.13 1zvs s GLU 16 Cb -0.44 -0.79 -0.19 0.00 0.26 0.00 0.00 34.13 32.97 1zvs s GLU 16 CO 0.54 -1.05 1.27 0.09 -0.54 0.00 0.00 175.26 175.57 1zvs n ASN 17 N 5.16 0.64 0.00 -1.70 3.02 -1.26 -0.09 115.26 121.04 1zvs n ASN 17 Ca -0.01 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 1zvs n ASN 17 Cb 0.45 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1zvs n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zvs n GLY 18 N 2.38 2.28 3.75 7.41 0.00 -0.15 -4.99 105.19 115.88 1zvs n GLY 18 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1zvs n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zvs s LYS 19 N -0.32 3.68 0.62 1.61 2.47 0.88 -5.00 119.74 123.68 1zvs s LYS 19 Ca 0.00 -0.25 -0.19 0.00 -1.56 0.00 0.00 55.97 53.98 1zvs s LYS 19 Cb 0.00 -3.19 -0.03 0.00 -1.46 0.00 0.00 37.83 33.15 1zvs s LYS 19 CO 0.00 0.53 1.17 0.45 0.16 0.00 0.00 175.35 177.66 1zvs n SER 20 N 2.76 1.63 -0.80 1.43 2.88 -1.26 -4.24 113.62 116.02 1zvs n SER 20 Ca -0.18 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1zvs n SER 20 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1zvs n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1zvs n ASN 21 N -1.35 0.00 -4.10 -3.46 2.85 0.40 -4.98 115.26 104.61 1zvs n ASN 21 Ca 0.14 -0.80 -0.21 0.00 -0.11 0.00 0.00 54.58 53.60 1zvs n ASN 21 Cb 0.47 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.35 1zvs n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1zvs s PHE 22 N -7.21 1.19 -0.27 1.20 0.08 -1.26 -1.35 117.98 110.35 1zvs s PHE 22 Ca 0.00 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 1zvs s PHE 22 Cb 0.00 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1zvs s PHE 22 CO 0.00 -0.01 0.08 -1.17 -0.10 0.00 0.00 175.22 174.02 1zvs s LEU 23 N -0.46 3.62 0.09 -0.37 2.96 0.11 -1.86 118.68 122.77 1zvs s LEU 23 Ca 0.04 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1zvs s LEU 23 Cb -0.06 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1zvs s LEU 23 CO -0.00 -0.10 -0.03 0.20 -1.32 0.00 0.00 176.35 175.10 1zvs s ASN 24 N 1.58 4.84 -0.15 3.68 0.01 0.64 -1.43 114.94 124.11 1zvs s ASN 24 Ca 0.05 -0.24 -0.04 0.00 -0.71 0.00 0.00 52.86 51.93 1zvs s ASN 24 Cb -0.16 -1.09 0.05 0.00 0.41 0.00 0.00 41.25 40.46 1zvs s ASN 24 CO 0.03 0.18 0.06 0.00 -1.51 0.00 0.00 177.10 175.86 1zvs s TYR 26 N 2.05 3.24 -0.17 0.00 5.04 -0.37 -0.59 117.35 126.54 1zvs s TYR 26 Ca 0.02 -0.88 -0.07 0.00 -2.44 0.00 0.00 57.07 53.69 1zvs s TYR 26 Cb -0.15 -2.44 -0.04 0.00 0.35 0.00 0.00 41.96 39.68 1zvs s TYR 26 CO -0.07 -0.62 0.08 0.14 -1.34 0.00 0.00 175.55 173.73 1zvs s VAL 27 N 1.57 4.93 0.15 3.14 -7.23 -1.01 -2.25 120.40 119.70 1zvs s VAL 27 Ca 0.03 0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.11 1zvs s VAL 27 Cb -0.19 -3.21 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 1zvs s VAL 27 CO 0.07 0.48 0.28 -0.94 -0.31 0.00 0.00 175.10 174.68 1zvs s SER 28 N 0.14 0.03 -1.17 4.85 1.04 -0.23 -1.46 113.70 116.89 1zvs s SER 28 Ca 0.06 -0.78 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 1zvs s SER 28 Cb -0.12 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 1zvs s SER 28 CO 0.00 -0.86 0.84 0.61 0.98 0.00 0.00 173.24 174.81 1zvs n GLY 29 N -0.19 -0.72 3.33 7.32 0.00 0.21 -0.32 105.19 114.82 1zvs n GLY 29 Ca -0.10 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1zvs n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zvs s PHE 30 N -3.49 1.58 -0.28 1.61 -0.71 -1.17 -4.46 117.98 111.06 1zvs s PHE 30 Ca 0.24 -0.77 -0.21 0.00 -1.04 0.00 0.00 56.93 55.15 1zvs s PHE 30 Cb -0.05 -0.85 0.11 0.00 -1.21 0.00 0.00 43.02 41.01 1zvs s PHE 30 CO 0.79 0.13 0.90 -1.58 -1.34 0.00 0.00 175.22 174.12 1zvs s HIS 31 N -3.23 -0.66 0.40 3.49 2.46 -0.26 -1.78 115.29 115.71 1zvs s HIS 31 Ca 0.24 1.46 -0.07 0.00 0.47 0.00 0.00 55.06 57.17 1zvs s HIS 31 Cb 0.03 0.39 0.10 0.00 -0.13 0.00 0.00 32.58 32.98 1zvs s HIS 31 CO 0.07 -0.32 0.28 -0.35 -2.47 0.00 0.00 174.74 171.94 1zvs n PRO 32 N 3.06 -2.42 0.16 2.88 -0.04 -1.26 -0.93 135.00 136.44 1zvs n PRO 32 Ca -0.16 -0.45 0.11 0.00 -0.04 0.00 0.00 63.50 62.96 1zvs n PRO 32 Cb 0.57 -0.53 0.08 0.00 -0.04 0.00 0.00 33.50 33.58 1zvs n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1zvs h SER 33 N -2.14 0.00 -2.97 3.54 4.64 -1.99 -3.46 113.55 111.17 1zvs h SER 33 Ca -0.12 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.68 1zvs h SER 33 Cb 0.38 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1zvs h SER 33 CO 0.07 0.04 0.91 -1.81 -0.87 0.00 0.00 176.83 175.17 1zvs s ASP 34 N -5.83 6.48 -0.17 4.97 1.01 -1.26 -4.96 116.67 116.91 1zvs s ASP 34 Ca 0.03 2.78 -0.28 0.00 0.71 0.00 0.00 52.55 55.79 1zvs s ASP 34 Cb 0.07 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.49 1zvs s ASP 34 CO 0.73 -0.88 0.86 -0.51 0.21 0.00 0.00 175.17 175.59 1zvs s ILE 35 N 0.71 0.00 -0.10 0.77 2.07 -1.26 -4.61 121.20 118.79 1zvs s ILE 35 Ca 0.68 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.96 1zvs s ILE 35 Cb -0.46 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.12 1zvs s ILE 35 CO 0.37 0.00 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.49 1zvs s GLU 36 N -0.60 3.02 -0.06 3.50 2.12 0.72 -4.99 118.70 122.41 1zvs s GLU 36 Ca -0.03 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.48 1zvs s GLU 36 Cb -0.02 -2.35 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1zvs s GLU 36 CO 0.02 0.23 -0.08 0.08 -0.54 0.00 0.00 175.26 174.98 1zvs s VAL 37 N 0.22 0.83 0.20 3.70 1.01 -1.26 -0.21 120.40 124.89 1zvs s VAL 37 Ca -0.14 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1zvs s VAL 37 Cb -0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1zvs s VAL 37 CO 0.07 0.30 -0.21 -1.81 0.00 0.00 0.00 175.10 173.45 1zvs s ASP 38 N 0.93 3.11 -0.13 3.32 1.01 0.17 -4.99 116.67 120.10 1zvs s ASP 38 Ca -0.10 -0.90 -0.00 0.00 0.71 0.00 0.00 52.55 52.26 1zvs s ASP 38 Cb -0.15 -0.22 -0.02 0.00 1.01 0.00 0.00 42.92 43.55 1zvs s ASP 38 CO 0.01 0.03 -0.13 -0.76 0.21 0.00 0.00 175.17 174.53 1zvs s LEU 39 N -2.83 2.72 0.04 1.23 1.02 -1.26 -1.22 118.68 118.39 1zvs s LEU 39 Ca 0.20 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.07 1zvs s LEU 39 Cb -0.06 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.50 1zvs s LEU 39 CO 0.09 0.17 -0.06 -0.76 0.02 0.00 0.00 176.35 175.81 1zvs s LEU 40 N 0.33 3.20 -0.35 1.79 1.43 0.13 0.09 118.68 125.30 1zvs s LEU 40 Ca -0.11 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1zvs s LEU 40 Cb -0.16 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.28 1zvs s LEU 40 CO 0.06 0.24 0.14 -0.75 0.23 0.00 0.00 176.35 176.27 1zvs s LYS 41 N -1.76 0.89 -0.85 1.70 2.20 -0.92 -1.78 119.74 119.23 1zvs s LYS 41 Ca 0.20 -1.38 -0.03 0.00 -0.36 0.00 0.00 55.97 54.40 1zvs s LYS 41 Cb -0.11 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1zvs s LYS 41 CO 0.11 -1.05 0.72 0.09 -0.36 0.00 0.00 175.35 174.86 1zvs n ASN 42 N 4.41 -3.46 -0.98 1.43 3.02 0.21 -3.18 115.26 116.71 1zvs n ASN 42 Ca 0.02 -0.38 -0.13 0.00 -0.03 0.00 0.00 54.58 54.06 1zvs n ASN 42 Cb 0.39 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 35.98 1zvs n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zvs n GLY 43 N -1.29 1.27 3.31 7.41 0.00 -1.26 -4.97 105.19 109.65 1zvs n GLY 43 Ca -0.09 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1zvs n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zvs s GLU 44 N -3.00 1.63 0.37 1.61 2.02 -1.19 -5.11 118.70 115.03 1zvs s GLU 44 Ca 0.00 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.78 1zvs s GLU 44 Cb 0.00 -1.80 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 1zvs s GLU 44 CO 0.00 0.46 0.79 0.50 0.02 0.00 0.00 175.26 177.03 1zvs s ARG 45 N -1.26 3.96 0.06 1.61 3.00 -1.26 -2.16 118.95 122.90 1zvs s ARG 45 Ca 0.10 0.69 -0.29 0.00 -1.00 0.00 0.00 55.73 55.24 1zvs s ARG 45 Cb -0.10 -2.36 -0.05 0.00 0.00 0.00 0.00 34.95 32.44 1zvs s ARG 45 CO 0.02 0.04 0.93 0.42 0.00 0.00 0.00 175.30 176.71 1zvs s ILE 46 N -2.17 4.67 -0.12 4.11 1.01 0.11 -4.91 121.20 123.91 1zvs s ILE 46 Ca 0.55 1.98 -0.15 0.00 0.00 0.00 0.00 60.65 63.02 1zvs s ILE 46 Cb -0.10 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 37.95 1zvs s ILE 46 CO 0.22 0.27 0.40 -0.33 0.00 0.00 0.00 174.94 175.49 1zvs h GLU 47 N 6.03 0.00 -4.71 2.79 4.39 -1.96 -3.42 114.58 117.70 1zvs h GLU 47 Ca -0.42 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.69 1zvs h GLU 47 Cb 1.21 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1zvs h GLU 47 CO 0.73 0.53 2.04 1.17 -1.16 0.00 0.00 179.01 182.32 1zvs n LYS 48 N -4.68 1.58 -4.55 2.33 3.00 -1.26 -4.88 118.16 109.69 1zvs n LYS 48 Ca -0.06 -2.02 -0.33 0.00 -0.00 0.00 0.00 58.31 55.90 1zvs n LYS 48 Cb 0.26 -3.11 -0.16 0.00 0.00 0.00 0.00 35.03 32.02 1zvs n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1zvs s VAL 49 N 6.28 2.29 0.40 3.15 1.01 -1.26 -4.57 120.40 127.70 1zvs s VAL 49 Ca 0.60 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1zvs s VAL 49 Cb 0.11 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1zvs s VAL 49 CO 0.12 0.53 0.26 -1.61 0.00 0.00 0.00 175.10 174.40 1zvs s GLU 50 N 0.88 2.39 0.02 2.72 2.02 -0.68 -4.94 118.70 121.10 1zvs s GLU 50 Ca -0.05 -1.65 -0.14 0.00 0.02 0.00 0.00 54.97 53.15 1zvs s GLU 50 Cb -0.15 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.91 1zvs s GLU 50 CO -0.02 -0.10 0.29 -3.38 0.02 0.00 0.00 175.26 172.07 1zvs s HIS 51 N -2.51 -0.12 0.22 1.61 -3.43 -1.26 -1.06 115.29 108.75 1zvs s HIS 51 Ca 0.43 0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.72 1zvs s HIS 51 Cb -0.00 0.08 0.06 0.00 -1.43 0.00 0.00 32.58 31.28 1zvs s HIS 51 CO 0.25 -0.44 0.13 -1.13 -2.00 0.00 0.00 174.74 171.54 1zvs n SER 52 N 0.90 -2.30 -4.75 7.38 3.41 0.66 -4.95 113.62 113.97 1zvs n SER 52 Ca -0.20 -0.13 -0.35 0.00 -0.26 0.00 0.00 58.87 57.93 1zvs n SER 52 Cb 0.58 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1zvs n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1zvs s ASP 53 N -2.14 6.12 -0.36 4.04 1.01 -1.26 -4.80 116.67 119.27 1zvs s ASP 53 Ca 0.10 0.26 -0.37 0.00 0.71 0.00 0.00 52.55 53.25 1zvs s ASP 53 Cb -0.02 -2.04 -0.13 0.00 1.01 0.00 0.00 42.92 41.74 1zvs s ASP 53 CO 0.08 0.25 2.11 -0.11 0.21 0.00 0.00 175.17 177.71 1zvs n LEU 54 N 3.06 1.95 0.00 1.23 7.94 -1.26 -4.92 117.00 125.00 1zvs n LEU 54 Ca -0.17 0.56 -0.25 0.00 -1.11 0.00 0.00 56.01 55.04 1zvs n LEU 54 Cb 0.53 -1.18 -0.06 0.00 0.53 0.00 0.00 43.42 43.23 1zvs n LEU 54 CO 0.35 -0.68 -0.17 -0.24 -1.11 0.00 0.00 177.39 175.54 1zvs n SER 55 N 8.75 1.79 -3.51 1.96 2.88 -1.22 -5.04 113.62 119.23 1zvs n SER 55 Ca 0.41 -2.99 -0.12 0.00 -1.33 0.00 0.00 58.87 54.85 1zvs n SER 55 Cb 0.17 0.76 -0.03 0.00 -0.75 0.00 0.00 64.21 64.36 1zvs n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1zvs s PHE 56 N -2.86 -0.40 0.88 0.66 -0.71 -1.26 -2.30 117.98 111.99 1zvs s PHE 56 Ca 0.13 0.18 -0.11 0.00 -1.04 0.00 0.00 56.93 56.09 1zvs s PHE 56 Cb 0.01 0.43 0.17 0.00 -1.21 0.00 0.00 43.02 42.42 1zvs s PHE 56 CO 0.10 -0.78 1.22 -1.12 -1.34 0.00 0.00 175.22 173.30 1zvs s SER 57 N -2.70 3.55 0.54 1.98 0.01 0.37 -4.92 113.70 112.54 1zvs s SER 57 Ca 0.01 0.12 0.31 0.00 1.31 0.00 0.00 55.95 57.70 1zvs s SER 57 Cb 0.00 -0.28 1.50 0.00 0.21 0.00 0.00 66.02 67.45 1zvs s SER 57 CO -0.12 -2.43 2.06 0.07 0.41 0.00 0.00 173.24 173.23 1zvs h LYS 58 N -1.28 0.00 -0.78 12.44 2.10 -2.03 -0.12 116.57 126.90 1zvs h LYS 58 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1zvs h LYS 58 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1zvs h LYS 58 CO 0.40 0.09 0.00 -0.40 -2.00 0.00 0.00 179.45 177.54 1zvs n ASP 59 N -3.37 2.93 0.00 7.07 5.75 -1.26 -4.88 116.55 122.79 1zvs n ASP 59 Ca -0.01 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 1zvs n ASP 59 Cb 0.26 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1zvs n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1zvs n TRP 60 N 0.28 0.00 -1.86 2.11 7.02 -0.06 -4.99 117.44 119.95 1zvs n TRP 60 Ca 0.12 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.20 1zvs n TRP 60 Cb 0.63 -0.25 0.02 0.00 -2.42 0.00 0.00 31.31 29.28 1zvs n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zvs s SER 61 N -1.64 5.87 0.59 -0.99 1.04 -1.26 -4.55 113.70 112.76 1zvs s SER 61 Ca 0.00 2.82 -0.06 0.00 0.48 0.00 0.00 55.95 59.19 1zvs s SER 61 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1zvs s SER 61 CO 0.00 -1.17 0.90 -0.36 0.98 0.00 0.00 173.24 173.59 1zvs s PHE 62 N -1.24 3.25 -0.25 5.02 0.40 -0.74 -0.47 117.98 123.94 1zvs s PHE 62 Ca 0.62 0.63 -0.22 0.00 -0.60 0.00 0.00 56.93 57.36 1zvs s PHE 62 Cb -0.41 -2.74 0.07 0.00 0.51 0.00 0.00 43.02 40.44 1zvs s PHE 62 CO 0.53 -0.82 0.65 1.52 0.70 0.00 0.00 175.22 177.80 1zvs s TYR 63 N -2.99 -0.76 0.14 0.36 -0.85 -0.97 0.64 117.35 112.92 1zvs s TYR 63 Ca 0.54 1.80 0.02 0.00 -0.52 0.00 0.00 57.07 58.91 1zvs s TYR 63 Cb -0.11 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 1zvs s TYR 63 CO 0.45 -0.37 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.55 1zvs s LEU 64 N 0.54 2.36 -0.11 -3.49 1.43 -0.53 -3.41 118.68 115.46 1zvs s LEU 64 Ca -0.02 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.03 1zvs s LEU 64 Cb -0.05 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1zvs s LEU 64 CO -0.02 -0.48 -0.14 -0.22 0.23 0.00 0.00 176.35 175.71 1zvs s LEU 65 N -3.11 1.67 0.05 1.79 2.96 -1.26 -2.40 118.68 118.37 1zvs s LEU 65 Ca 0.17 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1zvs s LEU 65 Cb 0.05 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1zvs s LEU 65 CO -0.01 -0.01 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.67 1zvs s TYR 66 N 1.11 2.92 -0.00 5.38 1.51 0.24 -0.24 117.35 128.26 1zvs s TYR 66 Ca -0.04 -0.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.69 1zvs s TYR 66 Cb -0.14 -1.56 0.10 0.00 -0.11 0.00 0.00 41.96 40.25 1zvs s TYR 66 CO -0.03 0.43 0.87 1.52 -1.11 0.00 0.00 175.55 177.23 1zvs s TYR 67 N -1.16 -0.37 0.05 2.71 1.13 -0.22 -0.11 117.35 119.37 1zvs s TYR 67 Ca 0.21 0.26 -0.17 0.00 -1.41 0.00 0.00 57.07 55.96 1zvs s TYR 67 Cb -0.11 0.53 0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1zvs s TYR 67 CO 0.13 -0.56 0.40 -0.08 -2.51 0.00 0.00 175.55 172.93 1zvs s THR 68 N -3.04 0.06 0.39 -3.49 -1.32 -0.51 -1.69 115.64 106.03 1zvs s THR 68 Ca 0.04 -0.50 -0.24 0.00 -1.21 0.00 0.00 61.69 59.78 1zvs s THR 68 Cb -0.01 -0.97 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 1zvs s THR 68 CO -0.09 -0.27 1.04 -0.70 -2.21 0.00 0.00 174.62 172.39 1zvs s GLU 69 N -2.60 4.20 -0.03 7.08 2.12 -1.26 0.04 118.70 128.24 1zvs s GLU 69 Ca -0.04 1.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.49 1zvs s GLU 69 Cb -0.01 -2.56 0.11 0.00 0.26 0.00 0.00 34.13 31.93 1zvs s GLU 69 CO -0.03 -0.11 1.02 -0.59 -0.54 0.00 0.00 175.26 175.01 1zvs s PHE 70 N -1.65 -0.23 -0.36 5.30 -0.71 -0.46 -4.83 117.98 115.04 1zvs s PHE 70 Ca 0.57 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.59 1zvs s PHE 70 Cb -0.22 0.55 0.10 0.00 -1.21 0.00 0.00 43.02 42.24 1zvs s PHE 70 CO 0.27 -0.47 0.08 0.99 -1.34 0.00 0.00 175.22 174.75 1zvs s THR 71 N -2.89 2.17 0.40 -4.49 2.01 -1.26 -0.46 115.64 111.12 1zvs s THR 71 Ca 0.08 -2.36 -0.27 0.00 0.31 0.00 0.00 61.69 59.45 1zvs s THR 71 Cb -0.01 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 1zvs s THR 71 CO -0.06 -0.63 1.33 -0.81 -0.69 0.00 0.00 174.62 173.76 1zvs n PRO 72 N 4.18 2.15 -3.90 4.92 -0.04 -1.26 -4.71 135.00 136.34 1zvs n PRO 72 Ca 0.04 0.76 -0.09 0.00 -0.04 0.00 0.00 63.50 64.17 1zvs n PRO 72 Cb 0.41 -2.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.35 1zvs n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1zvs s THR 73 N -1.16 0.13 0.00 0.52 -4.23 -1.26 -0.98 115.64 108.66 1zvs s THR 73 Ca 0.58 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1zvs s THR 73 Cb -0.51 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1zvs s THR 73 CO 0.60 -0.58 0.31 1.21 -0.54 0.00 0.00 174.62 175.62 1zvs n GLU 74 N -0.09 0.00 0.04 3.99 4.07 -1.26 -3.49 120.64 123.90 1zvs n GLU 74 Ca -0.13 0.31 -0.02 0.00 -0.06 0.00 0.00 57.16 57.26 1zvs n GLU 74 Cb 0.63 -0.51 -0.01 0.00 -0.06 0.00 0.00 31.44 31.49 1zvs n GLU 74 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1zvs h LYS 75 N 0.00 -0.11 -3.23 5.31 2.10 -2.01 -3.47 116.57 115.16 1zvs h LYS 75 Ca 0.00 0.01 -0.41 0.00 -2.00 0.00 0.00 60.65 58.25 1zvs h LYS 75 Cb 0.00 0.03 0.03 0.00 -0.90 0.00 0.00 32.23 31.39 1zvs h LYS 75 CO 0.00 -0.08 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.09 1zvs n ASP 76 N -2.70 -0.14 -4.41 7.07 8.00 -1.23 -4.98 116.55 118.16 1zvs n ASP 76 Ca -0.01 0.62 -0.31 0.00 0.71 0.00 0.00 54.79 55.80 1zvs n ASP 76 Cb 0.05 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.51 1zvs n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zvs s GLU 77 N -0.11 2.07 0.05 -1.24 2.02 -1.26 -4.53 118.70 115.70 1zvs s GLU 77 Ca 0.46 -0.97 0.05 0.00 0.02 0.00 0.00 54.97 54.53 1zvs s GLU 77 Cb -0.65 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1zvs s GLU 77 CO 0.31 0.55 -0.14 0.71 0.02 0.00 0.00 175.26 176.70 1zvs s TYR 78 N -0.83 1.22 0.21 1.61 2.02 -1.26 -0.62 117.35 119.70 1zvs s TYR 78 Ca 0.13 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.31 1zvs s TYR 78 Cb -0.10 -0.71 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 1zvs s TYR 78 CO 0.03 0.04 0.43 0.00 -1.57 0.00 0.00 175.55 174.49 1zvs s ALA 79 N -1.00 -0.35 -0.15 3.71 0.00 -0.73 0.62 121.76 123.86 1zvs s ALA 79 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1zvs s ALA 79 Cb -0.09 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1zvs s ALA 79 CO 0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 175.76 174.91 1zvs s ARG 81 N 0.42 3.43 0.01 0.00 3.52 -0.36 -0.78 118.95 125.20 1zvs s ARG 81 Ca -0.07 -0.62 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 1zvs s ARG 81 Cb -0.15 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 1zvs s ARG 81 CO 0.04 -0.01 -0.21 0.08 -0.81 0.00 0.00 175.30 174.39 1zvs s VAL 82 N 0.99 2.53 -0.06 7.11 1.01 0.17 -0.65 120.40 131.50 1zvs s VAL 82 Ca -0.00 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1zvs s VAL 82 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1zvs s VAL 82 CO 0.00 0.46 -0.05 0.20 0.00 0.00 0.00 175.10 175.71 1zvs s ASN 83 N -1.04 1.22 0.07 3.32 0.02 0.71 -0.85 114.94 118.39 1zvs s ASN 83 Ca 0.12 -0.15 -0.14 0.00 -1.02 0.00 0.00 52.86 51.67 1zvs s ASN 83 Cb -0.10 -0.52 0.02 0.00 0.02 0.00 0.00 41.25 40.67 1zvs s ASN 83 CO 0.02 -0.07 0.31 -2.28 0.02 0.00 0.00 177.10 175.10 1zvs s HIS 84 N 1.09 -0.09 0.61 2.20 2.46 -1.26 -0.20 115.29 120.10 1zvs s HIS 84 Ca -0.08 -0.13 0.29 0.00 0.47 0.00 0.00 55.06 55.61 1zvs s HIS 84 Cb -0.14 0.11 1.57 0.00 -0.13 0.00 0.00 32.58 33.99 1zvs s HIS 84 CO -0.01 -0.56 1.96 -0.24 -2.47 0.00 0.00 174.74 173.42 1zvs h VAL 85 N 2.93 0.30 -0.03 0.89 3.04 -1.96 0.38 116.25 121.80 1zvs h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1zvs h VAL 85 Cb 1.21 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1zvs h VAL 85 CO 0.48 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.39 1zvs n THR 86 N -3.53 0.03 -4.07 3.17 -2.24 -1.26 -4.79 114.28 101.59 1zvs n THR 86 Ca 0.04 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1zvs n THR 86 Cb 0.51 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 1zvs n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1zvs s LEU 87 N -1.86 2.75 0.33 3.22 1.43 0.12 -4.98 118.68 119.68 1zvs s LEU 87 Ca 0.39 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1zvs s LEU 87 Cb 0.19 -1.68 0.70 0.00 0.03 0.00 0.00 46.19 45.43 1zvs s LEU 87 CO 0.32 0.01 1.87 0.28 0.23 0.00 0.00 176.35 179.06 1zvs h SER 88 N 7.86 0.77 -5.07 2.29 0.02 -1.86 -3.44 113.55 114.12 1zvs h SER 88 Ca -0.40 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 1zvs h SER 88 Cb 1.16 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.44 1zvs h SER 88 CO 0.60 0.41 -0.13 0.00 -1.14 0.00 0.00 176.83 176.58 1zvs s GLN 89 N -5.79 0.99 0.16 3.45 -2.07 -1.26 -5.14 119.66 109.99 1zvs s GLN 89 Ca -0.11 -0.63 -0.28 0.00 -1.82 0.00 0.00 55.36 52.52 1zvs s GLN 89 Cb 0.22 0.43 -0.16 0.00 -1.09 0.00 0.00 33.01 32.40 1zvs s GLN 89 CO 0.79 -0.36 0.57 -2.30 -1.32 0.00 0.00 175.29 172.68 1zvs n PRO 90 N 0.05 0.00 -3.71 9.60 -0.02 -1.26 -4.94 135.00 134.71 1zvs n PRO 90 Ca -0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.94 1zvs n PRO 90 Cb 0.62 -1.02 -0.12 0.00 -0.02 0.00 0.00 33.50 32.96 1zvs n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zvs s LYS 91 N -0.79 3.69 -0.14 -0.52 2.47 -0.03 -4.91 119.74 119.51 1zvs s LYS 91 Ca 0.64 -0.46 -0.04 0.00 -1.56 0.00 0.00 55.97 54.55 1zvs s LYS 91 Cb -0.93 -3.41 -0.03 0.00 -1.46 0.00 0.00 37.83 32.00 1zvs s LYS 91 CO 0.53 -0.20 0.00 0.42 0.16 0.00 0.00 175.35 176.26 1zvs s ILE 92 N 1.64 4.27 -0.16 5.43 1.01 -1.26 -0.66 121.20 131.47 1zvs s ILE 92 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 1zvs s ILE 92 Cb -0.15 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.49 1zvs s ILE 92 CO 0.05 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 1zvs s VAL 93 N 0.03 1.25 0.52 2.92 1.01 0.04 -4.96 120.40 121.20 1zvs s VAL 93 Ca 0.03 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1zvs s VAL 93 Cb -0.13 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1zvs s VAL 93 CO 0.02 0.21 1.07 -0.54 0.00 0.00 0.00 175.10 175.86 1zvs s LYS 94 N 1.58 3.59 -0.09 2.72 1.02 -1.26 -0.36 119.74 126.94 1zvs s LYS 94 Ca 0.01 1.45 -0.28 0.00 0.02 0.00 0.00 55.97 57.17 1zvs s LYS 94 Cb -0.15 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1zvs s LYS 94 CO -0.08 -0.62 0.94 -0.46 -0.92 0.00 0.00 175.35 174.20 1zvs s TRP 95 N -1.93 3.54 -0.22 3.18 -0.00 0.20 -4.87 118.94 118.84 1zvs s TRP 95 Ca 0.69 1.53 -0.03 0.00 -0.00 0.00 0.00 56.10 58.29 1zvs s TRP 95 Cb -0.19 -3.10 0.00 0.00 -0.00 0.00 0.00 33.47 30.18 1zvs s TRP 95 CO 0.24 -0.14 -0.06 0.34 -0.00 0.00 0.00 176.95 177.33 1zvs s ASP 96 N 1.05 4.19 0.55 5.86 -1.08 -1.26 -4.77 116.67 121.21 1zvs s ASP 96 Ca 0.46 -0.51 0.39 0.00 -0.52 0.00 0.00 52.55 52.38 1zvs s ASP 96 Cb -0.19 -1.70 1.58 0.00 -1.46 0.00 0.00 42.92 41.16 1zvs s ASP 96 CO 0.20 -0.04 1.76 0.03 0.52 0.00 0.00 175.17 177.64 1zvs h ARG 97 N 8.08 0.00 -0.85 4.34 3.08 -1.95 0.41 114.38 127.49 1zvs h ARG 97 Ca -0.40 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.16 1zvs h ARG 97 Cb 1.15 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.93 1zvs h ARG 97 CO 0.60 0.00 0.48 -0.25 -1.07 0.00 0.00 179.97 179.73 1zvs n ASP 98 N -4.13 4.44 0.00 7.04 8.00 -1.26 -4.84 116.55 125.80 1zvs n ASP 98 Ca 0.29 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 52.09 1zvs n ASP 98 Cb 1.38 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1zvs n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04