#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvo s ILE 1 N 0.00 2.22 -0.06 2.02 1.09 -1.26 -5.02 121.20 120.19 1qvo s ILE 1 Ca 0.00 0.20 -0.03 0.00 -1.10 0.00 0.00 60.65 59.72 1qvo s ILE 1 Cb 0.00 -3.13 0.04 0.00 -1.06 0.00 0.00 42.46 38.31 1qvo s ILE 1 CO 0.00 0.04 0.14 -1.10 -0.10 0.00 0.00 174.94 173.91 1qvo s GLN 2 N -1.14 0.08 -0.02 2.79 -0.21 -1.26 -4.40 119.66 115.50 1qvo s GLN 2 Ca 0.58 0.36 0.03 0.00 0.02 0.00 0.00 55.36 56.35 1qvo s GLN 2 Cb -0.46 -0.19 -0.00 0.00 1.00 0.00 0.00 33.01 33.36 1qvo s GLN 2 CO 0.53 -0.17 -0.11 1.03 -2.12 0.00 0.00 175.29 174.44 1qvo s ARG 3 N 1.21 1.08 0.03 2.91 0.52 -0.29 -4.93 118.95 119.48 1qvo s ARG 3 Ca -0.09 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1qvo s ARG 3 Cb -0.12 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 1qvo s ARG 3 CO -0.06 0.18 1.00 0.99 0.02 0.00 0.00 175.30 177.43 1qvo s THR 4 N 0.02 4.70 0.39 0.02 2.01 -1.26 -2.16 115.64 119.36 1qvo s THR 4 Ca -0.01 1.99 -0.26 0.00 0.31 0.00 0.00 61.69 63.73 1qvo s THR 4 Cb -0.08 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 1qvo s THR 4 CO 0.00 0.19 1.23 -2.16 -0.69 0.00 0.00 174.62 173.20 1qvo s PRO 5 N 0.80 4.06 -0.09 4.92 0.04 -1.26 -4.40 135.00 139.06 1qvo s PRO 5 Ca 0.52 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 1qvo s PRO 5 Cb -0.22 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1qvo s PRO 5 CO 0.29 -0.37 0.48 0.15 0.04 0.00 0.00 177.00 177.59 1qvo s LYS 6 N -2.20 4.29 -0.13 4.56 -0.14 0.42 -4.88 119.74 121.66 1qvo s LYS 6 Ca 0.56 0.47 -0.01 0.00 -1.36 0.00 0.00 55.97 55.63 1qvo s LYS 6 Cb -0.35 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.38 1qvo s LYS 6 CO 0.44 0.24 -0.11 0.42 -0.76 0.00 0.00 175.35 175.58 1qvo s ILE 7 N 0.35 3.22 -0.05 2.17 1.01 -1.26 -2.00 121.20 124.64 1qvo s ILE 7 Ca 0.26 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1qvo s ILE 7 Cb -0.16 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.98 1qvo s ILE 7 CO 0.11 0.52 -0.04 -1.10 0.00 0.00 0.00 174.94 174.43 1qvo s GLN 8 N 0.27 0.85 -0.14 2.79 -0.21 -0.48 -5.00 119.66 117.73 1qvo s GLN 8 Ca -0.08 -0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.22 1qvo s GLN 8 Cb -0.15 -0.90 -0.00 0.00 1.00 0.00 0.00 33.01 32.96 1qvo s GLN 8 CO 0.05 -0.12 -0.18 0.08 -2.12 0.00 0.00 175.29 173.01 1qvo s VAL 9 N 1.09 2.51 0.17 1.09 1.01 -1.26 -0.62 120.40 124.40 1qvo s VAL 9 Ca -0.08 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1qvo s VAL 9 Cb -0.14 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.27 1qvo s VAL 9 CO -0.01 0.53 0.98 -0.72 0.00 0.00 0.00 175.10 175.88 1qvo s TYR 10 N 0.67 -0.05 0.10 5.22 1.13 -0.04 -4.62 117.35 119.75 1qvo s TYR 10 Ca -0.09 -0.30 0.04 0.00 -1.41 0.00 0.00 57.07 55.32 1qvo s TYR 10 Cb -0.16 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1qvo s TYR 10 CO 0.02 -0.89 0.07 -1.54 -2.51 0.00 0.00 175.55 170.70 1qvo s SER 11 N -3.09 5.38 0.21 -0.18 1.04 -1.26 0.15 113.70 115.95 1qvo s SER 11 Ca 0.15 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 1qvo s SER 11 Cb -0.02 -1.39 0.15 0.00 0.10 0.00 0.00 66.02 64.86 1qvo s SER 11 CO 0.04 0.15 1.88 -0.09 0.98 0.00 0.00 173.24 176.19 1qvo h ARG 12 N 3.14 0.96 -6.18 4.02 2.43 -1.62 -3.44 114.38 113.70 1qvo h ARG 12 Ca -0.47 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 1qvo h ARG 12 Cb 1.17 -0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 30.37 1qvo h ARG 12 CO 0.64 0.64 -0.75 -1.01 -1.51 0.00 0.00 179.97 177.98 1qvo s HIS 13 N -6.14 2.31 0.23 2.20 3.76 -1.26 -5.04 115.29 111.35 1qvo s HIS 13 Ca -0.13 -0.35 -0.32 0.00 -0.15 0.00 0.00 55.06 54.12 1qvo s HIS 13 Cb 0.15 -1.04 -0.12 0.00 1.11 0.00 0.00 32.58 32.67 1qvo s HIS 13 CO 0.78 0.70 1.65 -2.30 -0.85 0.00 0.00 174.74 174.72 1qvo n PRO 14 N -0.65 2.63 -1.90 8.40 -0.02 -1.26 -4.88 135.00 137.32 1qvo n PRO 14 Ca -0.05 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 1qvo n PRO 14 Cb 0.60 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1qvo n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qvo s ALA 15 N 0.71 3.78 -0.14 3.55 0.00 -1.26 -5.01 121.76 123.39 1qvo s ALA 15 Ca 0.72 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 54.05 1qvo s ALA 15 Cb -0.53 -3.63 0.06 0.00 0.00 0.00 0.00 23.12 19.02 1qvo s ALA 15 CO 0.39 -0.81 0.12 -1.21 0.00 0.00 0.00 175.76 174.24 1qvo s GLU 16 N 0.82 0.05 0.19 0.00 2.02 -1.26 -5.10 118.70 115.42 1qvo s GLU 16 Ca 0.69 0.14 -0.31 0.00 0.02 0.00 0.00 54.97 55.51 1qvo s GLU 16 Cb -0.45 -1.27 -0.16 0.00 0.10 0.00 0.00 34.13 32.35 1qvo s GLU 16 CO 0.34 -0.56 0.91 0.09 0.02 0.00 0.00 175.26 176.07 1qvo n ASN 17 N 5.30 0.34 0.00 -0.19 3.02 -1.26 -1.36 115.26 121.11 1qvo n ASN 17 Ca -0.06 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 1qvo n ASN 17 Cb 0.49 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1qvo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qvo n GLY 18 N 1.76 2.67 3.52 7.41 0.00 0.28 -4.99 105.19 115.86 1qvo n GLY 18 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1qvo n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qvo s LYS 19 N -0.14 3.79 0.20 1.61 2.20 -0.47 -4.96 119.74 121.97 1qvo s LYS 19 Ca 0.00 -0.42 -0.31 0.00 -0.36 0.00 0.00 55.97 54.88 1qvo s LYS 19 Cb 0.00 -3.33 -0.15 0.00 -1.51 0.00 0.00 37.83 32.84 1qvo s LYS 19 CO 0.00 -0.04 1.08 -1.13 -0.36 0.00 0.00 175.35 174.90 1qvo n SER 20 N 4.50 1.12 -2.33 1.43 3.41 -1.26 -4.26 113.62 116.23 1qvo n SER 20 Ca -0.16 1.15 -0.09 0.00 -0.26 0.00 0.00 58.87 59.52 1qvo n SER 20 Cb 0.52 -1.21 -0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1qvo n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qvo n ASN 21 N 1.81 -1.21 -4.14 4.04 2.85 0.42 -4.94 115.26 114.09 1qvo n ASN 21 Ca 0.14 -2.24 -0.26 0.00 -0.11 0.00 0.00 54.58 52.12 1qvo n ASN 21 Cb 0.26 2.13 -0.16 0.00 1.24 0.00 0.00 39.78 43.26 1qvo n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1qvo s PHE 22 N -3.85 1.67 -0.23 1.20 0.40 -1.26 -0.12 117.98 115.78 1qvo s PHE 22 Ca 0.17 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 1qvo s PHE 22 Cb -0.02 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 1qvo s PHE 22 CO 0.12 -0.13 0.23 -1.17 0.70 0.00 0.00 175.22 174.97 1qvo s LEU 23 N -0.08 4.13 0.08 -0.37 2.96 0.11 -1.42 118.68 124.09 1qvo s LEU 23 Ca -0.01 0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1qvo s LEU 23 Cb -0.10 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1qvo s LEU 23 CO 0.01 0.03 -0.19 0.20 -1.32 0.00 0.00 176.35 175.08 1qvo s ASN 24 N 1.03 3.75 -0.22 3.68 0.02 0.39 -1.95 114.94 121.63 1qvo s ASN 24 Ca 0.11 -0.51 -0.03 0.00 -1.02 0.00 0.00 52.86 51.41 1qvo s ASN 24 Cb -0.14 -0.53 0.07 0.00 0.02 0.00 0.00 41.25 40.67 1qvo s ASN 24 CO 0.05 0.22 0.06 0.00 0.02 0.00 0.00 177.10 177.45 1qvo s TYR 26 N 1.85 3.12 -0.15 0.00 5.04 0.21 -0.80 117.35 126.63 1qvo s TYR 26 Ca 0.02 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.42 1qvo s TYR 26 Cb -0.17 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 40.01 1qvo s TYR 26 CO -0.14 -0.15 -0.21 0.14 -1.34 0.00 0.00 175.55 173.84 1qvo s VAL 27 N 1.03 2.04 0.25 3.14 -7.23 -0.35 -1.39 120.40 117.91 1qvo s VAL 27 Ca 0.03 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1qvo s VAL 27 Cb -0.14 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1qvo s VAL 27 CO 0.03 0.54 0.15 -0.94 -0.31 0.00 0.00 175.10 174.57 1qvo s SER 28 N 0.91 0.89 -1.47 4.85 1.04 -0.85 0.02 113.70 119.09 1qvo s SER 28 Ca -0.05 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.90 1qvo s SER 28 Cb -0.15 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1qvo s SER 28 CO -0.04 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1qvo n GLY 29 N -0.43 0.81 3.82 7.32 0.00 0.31 -0.44 105.19 116.58 1qvo n GLY 29 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1qvo n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qvo s PHE 30 N -2.64 2.85 -0.29 1.61 -0.71 -1.11 -4.15 117.98 113.55 1qvo s PHE 30 Ca 0.00 -0.32 -0.20 0.00 -1.04 0.00 0.00 56.93 55.37 1qvo s PHE 30 Cb 0.00 -1.74 0.16 0.00 -1.21 0.00 0.00 43.02 40.23 1qvo s PHE 30 CO 0.00 0.24 1.12 -1.58 -1.34 0.00 0.00 175.22 173.66 1qvo s HIS 31 N -2.33 -0.38 0.97 3.49 2.46 -0.92 -1.16 115.29 117.42 1qvo s HIS 31 Ca 0.40 0.82 -0.16 0.00 0.47 0.00 0.00 55.06 56.58 1qvo s HIS 31 Cb -0.05 0.33 0.25 0.00 -0.13 0.00 0.00 32.58 32.98 1qvo s HIS 31 CO 0.25 -0.18 0.72 -0.35 -2.47 0.00 0.00 174.74 172.71 1qvo n PRO 32 N 2.80 -3.27 0.13 2.88 -0.04 -1.26 -1.14 135.00 135.10 1qvo n PRO 32 Ca -0.15 -1.17 -0.01 0.00 -0.04 0.00 0.00 63.50 62.12 1qvo n PRO 32 Cb 0.57 -1.28 0.16 0.00 -0.04 0.00 0.00 33.50 32.91 1qvo n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qvo h SER 33 N -2.69 0.00 -2.26 3.54 4.64 -1.99 -3.45 113.55 111.34 1qvo h SER 33 Ca -0.29 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.45 1qvo h SER 33 Cb 0.94 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1qvo h SER 33 CO 0.18 0.63 1.00 0.47 -0.87 0.00 0.00 176.83 178.24 1qvo n ASP 34 N -3.77 3.52 -3.65 4.97 8.00 -1.26 -4.94 116.55 119.42 1qvo n ASP 34 Ca -0.01 1.01 -0.15 0.00 0.71 0.00 0.00 54.79 56.35 1qvo n ASP 34 Cb 0.63 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.21 1qvo n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1qvo s ILE 35 N 2.55 0.03 -0.24 0.53 2.07 -1.26 -4.67 121.20 120.22 1qvo s ILE 35 Ca 0.84 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.84 1qvo s ILE 35 Cb -0.62 -0.81 0.05 0.00 0.13 0.00 0.00 42.46 41.21 1qvo s ILE 35 CO 0.42 -0.15 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.48 1qvo s GLU 36 N -1.40 2.37 -0.05 3.50 2.12 -0.35 -5.00 118.70 119.89 1qvo s GLU 36 Ca -0.12 -1.17 0.05 0.00 0.36 0.00 0.00 54.97 54.09 1qvo s GLU 36 Cb -0.03 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 1qvo s GLU 36 CO 0.06 -0.48 -0.20 0.08 -0.54 0.00 0.00 175.26 174.18 1qvo s VAL 37 N 1.18 1.64 0.01 3.70 1.01 -1.26 -0.91 120.40 125.77 1qvo s VAL 37 Ca -0.05 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1qvo s VAL 37 Cb -0.18 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1qvo s VAL 37 CO -0.07 0.47 -0.02 -1.81 0.00 0.00 0.00 175.10 173.66 1qvo s ASP 38 N -0.05 0.25 -0.10 3.32 1.01 0.33 -4.97 116.67 116.46 1qvo s ASP 38 Ca -0.03 -0.18 -0.06 0.00 0.71 0.00 0.00 52.55 52.98 1qvo s ASP 38 Cb -0.12 0.01 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 1qvo s ASP 38 CO 0.03 -0.07 0.14 -0.76 0.21 0.00 0.00 175.17 174.71 1qvo s LEU 39 N -0.50 4.35 0.12 1.23 1.43 -1.26 0.47 118.68 124.53 1qvo s LEU 39 Ca -0.04 0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1qvo s LEU 39 Cb -0.04 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1qvo s LEU 39 CO -0.00 0.39 -0.22 -0.76 0.23 0.00 0.00 176.35 175.98 1qvo s LEU 40 N -1.16 2.33 -0.14 1.79 1.43 0.24 -1.78 118.68 121.40 1qvo s LEU 40 Ca 0.17 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1qvo s LEU 40 Cb -0.12 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.18 1qvo s LEU 40 CO 0.06 0.08 0.03 -0.75 0.23 0.00 0.00 176.35 175.99 1qvo s LYS 41 N -2.10 0.58 -1.41 1.70 2.20 -0.25 -1.90 119.74 118.55 1qvo s LYS 41 Ca 0.10 -0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 55.45 1qvo s LYS 41 Cb -0.09 -1.61 0.04 0.00 -1.51 0.00 0.00 37.83 34.66 1qvo s LYS 41 CO 0.05 -0.50 1.03 0.09 -0.36 0.00 0.00 175.35 175.66 1qvo n ASN 42 N 5.11 -4.78 0.00 1.43 3.02 -0.10 -1.44 115.26 118.51 1qvo n ASN 42 Ca -0.08 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1qvo n ASN 42 Cb 0.49 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 1qvo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qvo n GLY 43 N -1.76 2.48 3.83 7.41 0.00 -1.26 -4.99 105.19 110.90 1qvo n GLY 43 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1qvo n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvo s GLU 44 N 0.00 3.89 0.07 1.61 2.02 -0.52 -5.01 118.70 120.75 1qvo s GLU 44 Ca 0.00 0.34 -0.31 0.00 0.02 0.00 0.00 54.97 55.02 1qvo s GLU 44 Cb 0.00 -3.23 -0.08 0.00 0.10 0.00 0.00 34.13 30.91 1qvo s GLU 44 CO 0.00 0.67 1.70 0.50 0.02 0.00 0.00 175.26 178.15 1qvo s ARG 45 N -0.95 4.18 0.10 1.61 3.52 -1.26 -1.09 118.95 125.06 1qvo s ARG 45 Ca 0.22 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 57.90 1qvo s ARG 45 Cb -0.16 -3.67 -0.06 0.00 -1.56 0.00 0.00 34.95 29.50 1qvo s ARG 45 CO 0.12 -0.77 1.21 0.42 -0.81 0.00 0.00 175.30 175.47 1qvo s ILE 46 N 2.89 3.86 0.24 4.11 1.01 -0.73 -4.92 121.20 127.65 1qvo s ILE 46 Ca 0.76 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 62.63 1qvo s ILE 46 Cb -0.40 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1qvo s ILE 46 CO 0.33 0.14 0.68 -1.61 0.00 0.00 0.00 174.94 174.48 1qvo s GLU 47 N 0.75 4.08 -0.80 2.79 2.02 -1.26 -4.48 118.70 121.80 1qvo s GLU 47 Ca 0.58 0.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.23 1qvo s GLU 47 Cb -0.31 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 1qvo s GLU 47 CO 0.31 0.33 0.74 1.63 0.02 0.00 0.00 175.26 178.29 1qvo n LYS 48 N 0.32 -1.52 -4.14 1.61 5.02 -1.26 -5.03 118.16 113.17 1qvo n LYS 48 Ca -0.01 1.32 -0.35 0.00 -2.02 0.00 0.00 58.31 57.26 1qvo n LYS 48 Cb 0.52 -5.70 -0.08 0.00 -0.02 0.00 0.00 35.03 29.75 1qvo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qvo s VAL 49 N -3.10 4.81 0.33 -0.18 1.01 -1.26 -4.96 120.40 117.04 1qvo s VAL 49 Ca 0.11 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1qvo s VAL 49 Cb -0.01 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1qvo s VAL 49 CO 0.73 0.52 0.33 -1.61 0.00 0.00 0.00 175.10 175.07 1qvo s GLU 50 N -1.23 2.87 -0.01 2.72 2.02 -0.48 -4.94 118.70 119.64 1qvo s GLU 50 Ca 0.17 -1.18 -0.19 0.00 0.02 0.00 0.00 54.97 53.79 1qvo s GLU 50 Cb -0.12 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.56 1qvo s GLU 50 CO 0.07 0.12 0.40 -3.38 0.02 0.00 0.00 175.26 172.50 1qvo s HIS 51 N -2.25 -0.29 1.20 1.61 -3.43 -1.26 0.02 115.29 110.90 1qvo s HIS 51 Ca 0.41 0.44 -0.18 0.00 -0.80 0.00 0.00 55.06 54.93 1qvo s HIS 51 Cb -0.07 0.18 0.28 0.00 -1.43 0.00 0.00 32.58 31.54 1qvo s HIS 51 CO 0.28 -0.46 1.09 -1.54 -2.00 0.00 0.00 174.74 172.10 1qvo s SER 52 N -1.40 0.92 -0.20 7.38 1.04 -0.09 -4.98 113.70 116.38 1qvo s SER 52 Ca -0.12 0.75 -0.20 0.00 0.48 0.00 0.00 55.95 56.87 1qvo s SER 52 Cb -0.03 -1.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.97 1qvo s SER 52 CO 0.05 -4.13 0.60 -1.81 0.98 0.00 0.00 173.24 168.92 1qvo s ASP 53 N -3.71 6.65 -0.43 7.02 1.11 -1.26 -4.76 116.67 121.29 1qvo s ASP 53 Ca 0.70 0.79 -0.43 0.00 0.18 0.00 0.00 52.55 53.79 1qvo s ASP 53 Cb -0.12 -2.33 -0.19 0.00 1.07 0.00 0.00 42.92 41.35 1qvo s ASP 53 CO 0.57 -0.24 1.45 -0.11 1.18 0.00 0.00 175.17 178.02 1qvo n LEU 54 N 4.93 1.04 -4.24 1.23 7.94 -1.26 -4.93 117.00 121.71 1qvo n LEU 54 Ca -0.02 1.10 -0.16 0.00 -1.11 0.00 0.00 56.01 55.82 1qvo n LEU 54 Cb 0.50 -0.82 -0.09 0.00 0.53 0.00 0.00 43.42 43.54 1qvo n LEU 54 CO 0.43 -0.85 -0.18 -0.55 -1.11 0.00 0.00 177.39 175.13 1qvo s SER 55 N 2.58 0.87 0.16 1.96 0.15 -1.25 -5.07 113.70 113.11 1qvo s SER 55 Ca 0.97 -1.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 1qvo s SER 55 Cb -1.38 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.36 1qvo s SER 55 CO 0.74 -0.93 0.19 0.72 1.20 0.00 0.00 173.24 175.16 1qvo s PHE 56 N -3.83 0.64 0.59 3.44 -0.12 -1.26 -2.29 117.98 115.15 1qvo s PHE 56 Ca 0.40 -0.99 0.10 0.00 -0.05 0.00 0.00 56.93 56.38 1qvo s PHE 56 Cb 0.05 -0.25 0.09 0.00 -0.63 0.00 0.00 43.02 42.28 1qvo s PHE 56 CO 0.19 -0.65 0.80 -1.12 -0.05 0.00 0.00 175.22 174.39 1qvo s SER 57 N -3.02 5.01 0.12 1.98 0.01 0.54 -4.94 113.70 113.40 1qvo s SER 57 Ca 0.22 -0.92 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 1qvo s SER 57 Cb 0.05 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.72 1qvo s SER 57 CO 0.02 -1.40 0.98 2.29 0.41 0.00 0.00 173.24 175.54 1qvo n LYS 58 N -2.27 -0.24 -0.02 12.44 2.85 -1.26 0.26 118.16 129.93 1qvo n LYS 58 Ca 0.16 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.39 1qvo n LYS 58 Cb 0.62 -1.43 0.01 0.00 -0.65 0.00 0.00 35.03 33.58 1qvo n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1qvo n ASP 59 N -4.84 0.72 0.00 -5.58 3.85 -1.26 -4.85 116.55 104.58 1qvo n ASP 59 Ca 0.03 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 1qvo n ASP 59 Cb 0.19 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1qvo n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1qvo n TRP 60 N -0.16 0.00 -2.44 2.11 7.02 0.14 -4.99 117.44 119.11 1qvo n TRP 60 Ca 0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.10 1qvo n TRP 60 Cb 0.17 -0.42 -0.04 0.00 -2.42 0.00 0.00 31.31 28.61 1qvo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1qvo s SER 61 N -2.89 6.92 0.51 -0.99 1.04 -1.26 -4.67 113.70 112.37 1qvo s SER 61 Ca 0.00 2.23 -0.08 0.00 0.48 0.00 0.00 55.95 58.58 1qvo s SER 61 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1qvo s SER 61 CO 0.00 -0.39 0.86 -0.36 0.98 0.00 0.00 173.24 174.33 1qvo s PHE 62 N -1.38 3.57 0.01 5.02 0.08 -0.31 -0.34 117.98 124.63 1qvo s PHE 62 Ca 0.52 0.98 -0.07 0.00 0.12 0.00 0.00 56.93 58.48 1qvo s PHE 62 Cb -0.29 -2.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 1qvo s PHE 62 CO 0.37 -0.38 0.13 1.52 -0.10 0.00 0.00 175.22 176.76 1qvo s TYR 63 N -2.82 0.06 -0.03 0.36 -0.85 -0.97 -0.53 117.35 112.57 1qvo s TYR 63 Ca 0.50 -0.17 -0.22 0.00 -0.52 0.00 0.00 57.07 56.66 1qvo s TYR 63 Cb -0.10 -0.06 0.04 0.00 0.38 0.00 0.00 41.96 42.22 1qvo s TYR 63 CO 0.46 -0.29 0.47 -1.17 -1.52 0.00 0.00 175.55 173.50 1qvo s LEU 64 N -1.45 0.19 -0.14 -3.49 2.96 0.10 -3.77 118.68 113.08 1qvo s LEU 64 Ca -0.14 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1qvo s LEU 64 Cb -0.07 1.83 0.02 0.00 0.50 0.00 0.00 46.19 48.47 1qvo s LEU 64 CO 0.01 -0.53 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.13 1qvo s LEU 65 N -1.30 1.79 -0.18 -0.68 2.96 -1.26 -1.21 118.68 118.81 1qvo s LEU 65 Ca -0.12 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1qvo s LEU 65 Cb -0.03 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 1qvo s LEU 65 CO 0.06 -0.02 0.00 -0.31 -1.32 0.00 0.00 176.35 174.77 1qvo s TYR 66 N 1.27 3.08 0.11 5.38 1.51 0.02 -0.92 117.35 127.80 1qvo s TYR 66 Ca 0.01 -0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1qvo s TYR 66 Cb -0.14 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1qvo s TYR 66 CO -0.08 -0.07 0.00 1.52 -1.11 0.00 0.00 175.55 175.81 1qvo s TYR 67 N 0.62 0.80 -0.08 2.71 1.13 0.10 -0.87 117.35 121.77 1qvo s TYR 67 Ca -0.00 -1.10 -0.23 0.00 -1.41 0.00 0.00 57.07 54.33 1qvo s TYR 67 Cb -0.14 -0.49 0.05 0.00 -1.10 0.00 0.00 41.96 40.28 1qvo s TYR 67 CO 0.02 -0.37 0.53 -0.08 -2.51 0.00 0.00 175.55 173.14 1qvo s THR 68 N -3.88 0.02 -0.18 -3.49 -1.32 -0.82 -1.38 115.64 104.58 1qvo s THR 68 Ca 0.17 -0.15 -0.23 0.00 -1.21 0.00 0.00 61.69 60.27 1qvo s THR 68 Cb 0.07 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.22 1qvo s THR 68 CO -0.03 -0.08 0.72 -0.70 -2.21 0.00 0.00 174.62 172.32 1qvo s GLU 69 N -0.83 4.26 0.19 7.08 2.12 -1.26 0.09 118.70 130.36 1qvo s GLU 69 Ca -0.09 0.80 -0.10 0.00 0.36 0.00 0.00 54.97 55.94 1qvo s GLU 69 Cb -0.03 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 1qvo s GLU 69 CO 0.06 -0.26 0.35 -0.59 -0.54 0.00 0.00 175.26 174.28 1qvo s PHE 70 N 1.94 0.37 -0.22 5.30 -0.71 0.82 -4.94 117.98 120.55 1qvo s PHE 70 Ca 0.33 -0.73 -0.01 0.00 -1.04 0.00 0.00 56.93 55.48 1qvo s PHE 70 Cb -0.16 0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.74 1qvo s PHE 70 CO 0.12 -0.81 0.01 -0.08 -1.34 0.00 0.00 175.22 173.11 1qvo s THR 71 N -3.98 0.97 0.58 -4.49 -1.32 -1.26 0.16 115.64 106.29 1qvo s THR 71 Ca 0.19 -0.92 -0.19 0.00 -1.21 0.00 0.00 61.69 59.57 1qvo s THR 71 Cb 0.02 -1.41 -0.06 0.00 -1.51 0.00 0.00 72.50 69.54 1qvo s THR 71 CO 0.03 -0.22 0.88 -2.65 -2.21 0.00 0.00 174.62 170.45 1qvo n PRO 72 N 4.88 0.84 -4.11 7.08 -0.02 -1.26 -4.67 135.00 137.74 1qvo n PRO 72 Ca -0.09 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1qvo n PRO 72 Cb 0.45 -2.06 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 1qvo n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qvo s THR 73 N -1.54 0.57 0.35 3.45 -4.23 -1.26 -0.55 115.64 112.43 1qvo s THR 73 Ca 0.74 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 59.83 1qvo s THR 73 Cb -0.43 -1.10 0.30 0.00 1.34 0.00 0.00 72.50 72.61 1qvo s THR 73 CO 0.49 -0.63 1.91 -0.08 -0.54 0.00 0.00 174.62 175.77 1qvo h GLU 74 N 3.78 0.75 0.05 3.99 4.81 -1.98 -3.17 114.58 122.80 1qvo h GLU 74 Ca -0.35 -0.05 -0.33 0.00 -0.13 0.00 0.00 59.36 58.51 1qvo h GLU 74 Cb 1.18 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1qvo h GLU 74 CO 0.52 0.50 -1.88 1.63 -0.73 0.00 0.00 179.01 179.05 1qvo n LYS 75 N -4.52 0.68 -1.69 1.92 5.02 -1.26 -4.93 118.16 113.39 1qvo n LYS 75 Ca 0.14 0.26 -0.44 0.00 -2.02 0.00 0.00 58.31 56.26 1qvo n LYS 75 Cb 0.33 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1qvo n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1qvo n ASP 76 N -3.19 3.02 -4.28 4.39 10.43 -1.20 -4.99 116.55 120.73 1qvo n ASP 76 Ca -0.24 1.16 -0.31 0.00 2.57 0.00 0.00 54.79 57.96 1qvo n ASP 76 Cb 1.05 -1.48 -0.16 0.00 1.84 0.00 0.00 41.12 42.37 1qvo n ASP 76 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1qvo s GLU 77 N -0.70 2.50 0.24 -1.24 2.12 -1.26 -4.76 118.70 115.59 1qvo s GLU 77 Ca 0.65 -0.91 0.10 0.00 0.36 0.00 0.00 54.97 55.17 1qvo s GLU 77 Cb -0.60 -2.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.59 1qvo s GLU 77 CO 0.52 0.41 -0.18 0.71 -0.54 0.00 0.00 175.26 176.17 1qvo s TYR 78 N -0.22 2.04 0.16 5.30 1.51 -1.26 -0.92 117.35 123.96 1qvo s TYR 78 Ca -0.02 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.37 1qvo s TYR 78 Cb -0.13 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.86 1qvo s TYR 78 CO 0.03 0.54 0.86 0.00 -1.11 0.00 0.00 175.55 175.87 1qvo s ALA 79 N -2.59 -1.56 0.02 3.71 0.00 -0.80 -0.56 121.76 119.98 1qvo s ALA 79 Ca 0.26 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.46 1qvo s ALA 79 Cb -0.04 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1qvo s ALA 79 CO 0.11 -0.97 -0.20 0.00 0.00 0.00 0.00 175.76 174.70 1qvo s ARG 81 N -1.18 3.05 -0.01 0.00 3.52 0.18 -0.95 118.95 123.56 1qvo s ARG 81 Ca 0.13 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1qvo s ARG 81 Cb -0.10 -2.30 -0.00 0.00 -1.56 0.00 0.00 34.95 30.98 1qvo s ARG 81 CO 0.03 0.18 -0.06 0.08 -0.81 0.00 0.00 175.30 174.72 1qvo s VAL 82 N 0.35 0.48 0.05 7.11 1.01 0.89 -0.51 120.40 129.78 1qvo s VAL 82 Ca -0.19 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1qvo s VAL 82 Cb -0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1qvo s VAL 82 CO 0.09 0.14 -0.10 0.21 0.00 0.00 0.00 175.10 175.44 1qvo s ASN 83 N -0.06 1.15 -0.13 3.32 2.47 -0.08 0.86 114.94 122.47 1qvo s ASN 83 Ca 0.01 -0.57 -0.30 0.00 0.42 0.00 0.00 52.86 52.42 1qvo s ASN 83 Cb -0.03 0.00 0.12 0.00 -1.45 0.00 0.00 41.25 39.89 1qvo s ASN 83 CO -0.00 -0.16 0.99 -2.28 -3.72 0.00 0.00 177.10 171.94 1qvo s HIS 84 N -1.33 -0.34 0.49 0.43 5.65 -1.26 -1.22 115.29 117.71 1qvo s HIS 84 Ca -0.07 0.51 0.29 0.00 0.25 0.00 0.00 55.06 56.03 1qvo s HIS 84 Cb -0.10 0.47 1.37 0.00 -1.18 0.00 0.00 32.58 33.15 1qvo s HIS 84 CO 0.01 -0.37 1.84 -0.24 -0.65 0.00 0.00 174.74 175.33 1qvo h VAL 85 N 2.41 0.52 0.00 0.89 3.04 -1.96 0.24 116.25 121.40 1qvo h VAL 85 Ca -0.18 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1qvo h VAL 85 Cb 1.18 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1qvo h VAL 85 CO 0.30 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.89 1qvo h THR 86 N 0.13 0.00 -2.80 3.17 1.03 -1.91 -3.44 112.91 109.09 1qvo h THR 86 Ca 0.51 -0.52 -0.64 0.00 -0.01 0.00 0.00 66.41 65.74 1qvo h THR 86 Cb 1.76 1.45 -0.06 0.00 -1.07 0.00 0.00 68.15 70.23 1qvo h THR 86 CO -0.09 0.00 -0.37 -0.76 -0.01 0.00 0.00 175.52 174.29 1qvo s LEU 87 N -5.32 4.42 0.21 0.00 1.43 0.85 -4.95 118.68 115.32 1qvo s LEU 87 Ca 0.05 0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 1qvo s LEU 87 Cb 0.09 -2.32 0.25 0.00 0.03 0.00 0.00 46.19 44.24 1qvo s LEU 87 CO 0.54 0.36 1.81 0.28 0.23 0.00 0.00 176.35 179.57 1qvo h SER 88 N 4.78 0.57 -5.10 2.29 0.02 -1.86 -3.43 113.55 110.83 1qvo h SER 88 Ca -0.53 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.41 1qvo h SER 88 Cb 1.22 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1qvo h SER 88 CO 0.60 0.37 0.15 0.00 -1.14 0.00 0.00 176.83 176.81 1qvo s GLN 89 N -6.09 1.98 0.14 3.45 -2.07 -1.26 -5.11 119.66 110.69 1qvo s GLN 89 Ca -0.13 -1.33 -0.35 0.00 -1.82 0.00 0.00 55.36 51.74 1qvo s GLN 89 Cb 0.16 0.58 -0.14 0.00 -1.09 0.00 0.00 33.01 32.52 1qvo s GLN 89 CO 0.76 -0.90 1.53 -2.30 -1.32 0.00 0.00 175.29 173.06 1qvo n PRO 90 N -0.50 1.92 -3.84 9.60 -0.02 -1.26 -4.83 135.00 136.08 1qvo n PRO 90 Ca -0.05 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1qvo n PRO 90 Cb 0.60 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1qvo n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qvo s LYS 91 N 0.87 4.08 -0.16 -0.52 2.20 0.25 -4.87 119.74 121.58 1qvo s LYS 91 Ca 0.80 -0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 56.13 1qvo s LYS 91 Cb -0.74 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 1qvo s LYS 91 CO 0.40 0.31 -0.07 0.42 -0.36 0.00 0.00 175.35 176.06 1qvo s ILE 92 N 0.29 3.52 -0.14 5.43 1.01 -1.26 -0.08 121.20 129.97 1qvo s ILE 92 Ca 0.07 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1qvo s ILE 92 Cb -0.11 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1qvo s ILE 92 CO -0.01 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 174.55 1qvo s VAL 93 N 0.59 1.82 0.43 2.92 1.01 -0.12 -4.97 120.40 122.08 1qvo s VAL 93 Ca -0.04 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1qvo s VAL 93 Cb -0.15 -1.65 -0.11 0.00 0.00 0.00 0.00 36.38 34.48 1qvo s VAL 93 CO 0.03 0.50 0.95 -0.54 0.00 0.00 0.00 175.10 176.04 1qvo s LYS 94 N 1.13 4.22 0.01 2.72 1.02 -1.26 -0.15 119.74 127.43 1qvo s LYS 94 Ca -0.01 1.11 -0.27 0.00 0.02 0.00 0.00 55.97 56.82 1qvo s LYS 94 Cb -0.14 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1qvo s LYS 94 CO -0.07 -0.04 0.85 -0.46 -0.92 0.00 0.00 175.35 174.71 1qvo s TRP 95 N -2.19 3.68 -0.32 3.18 -0.00 0.28 -4.87 118.94 118.69 1qvo s TRP 95 Ca 0.62 1.53 0.01 0.00 -0.00 0.00 0.00 56.10 58.26 1qvo s TRP 95 Cb -0.09 -2.95 0.10 0.00 -0.00 0.00 0.00 33.47 30.53 1qvo s TRP 95 CO 0.14 0.12 0.08 0.34 -0.00 0.00 0.00 176.95 177.62 1qvo s ASP 96 N 0.54 4.35 0.04 5.86 2.15 -1.26 -4.74 116.67 123.60 1qvo s ASP 96 Ca 0.44 -1.88 -0.07 0.00 0.43 0.00 0.00 52.55 51.47 1qvo s ASP 96 Cb -0.20 -1.20 -0.02 0.00 -0.30 0.00 0.00 42.92 41.20 1qvo s ASP 96 CO 0.24 -0.40 1.13 0.03 -0.17 0.00 0.00 175.17 176.00 1qvo h ARG 97 N 7.87 -0.01 -1.95 4.34 3.08 -1.96 -2.55 114.38 123.20 1qvo h ARG 97 Ca -0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1qvo h ARG 97 Cb 1.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 1qvo h ARG 97 CO 0.49 -0.01 -0.04 -0.40 -1.07 0.00 0.00 179.97 178.94 1qvo n ASP 98 N -3.49 5.49 0.00 7.04 5.75 -1.26 -4.91 116.55 125.16 1qvo n ASP 98 Ca 0.00 -2.53 0.10 0.00 -0.01 0.00 0.00 54.79 52.35 1qvo n ASP 98 Cb 0.06 -1.20 0.57 0.00 -1.03 0.00 0.00 41.12 39.52 1qvo n ASP 98 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89