#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7r s GLN 2 N 0.00 1.80 -0.06 6.28 -0.21 -1.26 -4.37 119.66 121.84 1s7r s GLN 2 Ca 0.00 -1.12 -0.05 0.00 0.02 0.00 0.00 55.36 54.21 1s7r s GLN 2 Cb 0.00 -2.00 0.02 0.00 1.00 0.00 0.00 33.01 32.03 1s7r s GLN 2 CO 0.00 0.51 0.16 0.15 -2.12 0.00 0.00 175.29 173.99 1s7r s LYS 3 N -1.33 0.18 0.05 2.91 1.02 -0.87 -4.98 119.74 116.73 1s7r s LYS 3 Ca 0.12 0.24 -0.23 0.00 0.02 0.00 0.00 55.97 56.12 1s7r s LYS 3 Cb -0.10 0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 37.22 1s7r s LYS 3 CO 0.03 -0.04 0.70 0.99 -0.92 0.00 0.00 175.35 176.11 1s7r s THR 4 N 0.19 4.72 0.30 2.17 2.01 -1.26 -3.53 115.64 120.25 1s7r s THR 4 Ca -0.01 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 1s7r s THR 4 Cb -0.02 -4.05 -0.13 0.00 0.01 0.00 0.00 72.50 68.31 1s7r s THR 4 CO -0.00 0.42 1.35 -2.65 -0.69 0.00 0.00 174.62 173.05 1s7r n PRO 5 N 2.49 2.14 -3.51 4.92 -0.02 -1.26 -4.58 135.00 135.18 1s7r n PRO 5 Ca -0.05 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1s7r n PRO 5 Cb 0.50 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1s7r n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s7r s GLN 6 N -1.27 3.12 -0.25 -0.52 -1.52 -1.03 -4.93 119.66 113.25 1s7r s GLN 6 Ca 0.60 -0.91 -0.07 0.00 -1.95 0.00 0.00 55.36 53.04 1s7r s GLN 6 Cb -0.59 -3.87 -0.02 0.00 -0.22 0.00 0.00 33.01 28.31 1s7r s GLN 6 CO 0.57 -0.64 0.07 0.42 -0.25 0.00 0.00 175.29 175.46 1s7r s ILE 7 N 1.67 4.22 -0.11 1.08 1.01 -1.26 -1.28 121.20 126.54 1s7r s ILE 7 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1s7r s ILE 7 Cb -0.18 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 1s7r s ILE 7 CO 0.09 0.31 -0.22 -1.10 0.00 0.00 0.00 174.94 174.02 1s7r s GLN 8 N 1.60 3.10 -0.20 2.79 -0.21 -0.49 -4.99 119.66 121.25 1s7r s GLN 8 Ca 0.06 -0.85 -0.00 0.00 0.02 0.00 0.00 55.36 54.59 1s7r s GLN 8 Cb -0.15 -2.36 0.02 0.00 1.00 0.00 0.00 33.01 31.51 1s7r s GLN 8 CO 0.03 0.17 -0.14 0.08 -2.12 0.00 0.00 175.29 173.32 1s7r s VAL 9 N 0.37 2.50 -0.20 1.09 1.01 -1.26 -0.76 120.40 123.15 1s7r s VAL 9 Ca -0.17 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1s7r s VAL 9 Cb -0.18 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.12 1s7r s VAL 9 CO 0.08 0.42 0.56 -0.72 0.00 0.00 0.00 175.10 175.45 1s7r s TYR 10 N 1.33 -0.61 0.57 5.22 -0.85 -0.54 -4.51 117.35 117.95 1s7r s TYR 10 Ca 0.04 1.48 -0.13 0.00 -0.52 0.00 0.00 57.07 57.93 1s7r s TYR 10 Cb -0.14 0.21 -0.06 0.00 0.38 0.00 0.00 41.96 42.35 1s7r s TYR 10 CO -0.09 -0.31 1.01 -1.54 -1.52 0.00 0.00 175.55 173.10 1s7r s SER 11 N 0.23 6.41 0.06 -0.18 1.04 -1.26 -1.08 113.70 118.93 1s7r s SER 11 Ca -0.01 1.48 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 1s7r s SER 11 Cb -0.04 -2.48 -0.11 0.00 0.10 0.00 0.00 66.02 63.48 1s7r s SER 11 CO 0.01 -0.74 1.42 -0.09 0.98 0.00 0.00 173.24 174.83 1s7r h ARG 12 N 0.26 0.43 -6.11 4.02 1.12 -1.88 -3.45 114.38 108.76 1s7r h ARG 12 Ca -0.45 -0.19 -0.55 0.00 -1.11 0.00 0.00 59.98 57.68 1s7r h ARG 12 Cb 1.19 -0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 31.05 1s7r h ARG 12 CO 0.62 0.71 -0.58 -1.01 -3.11 0.00 0.00 179.97 176.60 1s7r s HIS 13 N -4.58 2.68 0.25 2.20 3.76 -1.26 -5.06 115.29 113.28 1s7r s HIS 13 Ca -0.14 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 1s7r s HIS 13 Cb 0.06 -1.49 -0.11 0.00 1.11 0.00 0.00 32.58 32.16 1s7r s HIS 13 CO 0.76 0.44 1.55 -2.14 -0.85 0.00 0.00 174.74 174.50 1s7r s PRO 14 N -3.77 4.18 0.45 8.40 0.02 -1.26 -4.95 135.00 138.07 1s7r s PRO 14 Ca 0.35 2.46 -0.25 0.00 0.02 0.00 0.00 61.00 63.59 1s7r s PRO 14 Cb -0.03 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 1s7r s PRO 14 CO 0.21 -0.57 1.34 -2.14 -0.33 0.00 0.00 177.00 175.51 1s7r s PRO 15 N -0.08 3.69 -0.19 5.54 0.02 -1.26 -5.04 135.00 137.68 1s7r s PRO 15 Ca 0.64 2.22 -0.07 0.00 0.02 0.00 0.00 61.00 63.81 1s7r s PRO 15 Cb -0.45 -2.59 0.09 0.00 0.02 0.00 0.00 34.50 31.57 1s7r s PRO 15 CO 0.43 -0.74 0.41 -1.21 -0.33 0.00 0.00 177.00 175.55 1s7r s GLU 16 N -2.49 0.31 0.22 5.54 2.02 -1.26 -5.13 118.70 117.91 1s7r s GLU 16 Ca 0.62 1.01 -0.32 0.00 0.02 0.00 0.00 54.97 56.30 1s7r s GLU 16 Cb -0.39 0.29 -0.13 0.00 0.10 0.00 0.00 34.13 34.00 1s7r s GLU 16 CO 0.50 -0.25 1.54 0.09 0.02 0.00 0.00 175.26 177.15 1s7r n ASN 17 N 5.36 3.25 0.00 -0.19 4.13 -1.26 -2.12 115.26 124.44 1s7r n ASN 17 Ca -0.09 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.29 1s7r n ASN 17 Cb 0.50 -1.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.25 1s7r n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s7r n GLY 18 N 2.79 1.92 3.83 7.41 0.00 -0.96 -5.01 105.19 115.16 1s7r n GLY 18 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1s7r n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7r s LYS 19 N -0.15 3.71 0.59 1.61 1.02 -0.90 -4.99 119.74 120.63 1s7r s LYS 19 Ca 0.00 -0.16 -0.19 0.00 0.02 0.00 0.00 55.97 55.64 1s7r s LYS 19 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1s7r s LYS 19 CO 0.00 0.61 1.19 -2.14 -0.92 0.00 0.00 175.35 174.09 1s7r s PRO 20 N -0.53 3.03 0.30 -1.68 0.02 -1.26 -4.15 135.00 130.74 1s7r s PRO 20 Ca 0.13 1.78 -0.16 0.00 0.02 0.00 0.00 61.00 62.77 1s7r s PRO 20 Cb -0.12 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.48 1s7r s PRO 20 CO 0.02 -1.14 0.64 1.21 -0.33 0.00 0.00 177.00 177.39 1s7r s ASN 21 N -1.64 -0.04 -0.11 2.53 3.84 -0.51 -5.02 114.94 113.99 1s7r s ASN 21 Ca 0.76 -0.90 -0.03 0.00 0.21 0.00 0.00 52.86 52.91 1s7r s ASN 21 Cb -0.29 0.71 -0.03 0.00 -0.55 0.00 0.00 41.25 41.08 1s7r s ASN 21 CO 0.32 -1.36 -0.01 -0.63 -2.79 0.00 0.00 177.10 172.64 1s7r s ILE 22 N -3.52 4.23 -0.18 -5.21 -1.09 -1.26 -1.58 121.20 112.59 1s7r s ILE 22 Ca 0.17 -0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.24 1s7r s ILE 22 Cb -0.04 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.99 1s7r s ILE 22 CO 0.10 0.57 0.12 -0.22 -1.23 0.00 0.00 174.94 174.27 1s7r s LEU 23 N -0.50 4.16 -0.03 2.97 2.96 0.51 -2.48 118.68 126.27 1s7r s LEU 23 Ca 0.09 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1s7r s LEU 23 Cb -0.12 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1s7r s LEU 23 CO 0.02 0.23 -0.10 0.20 -1.32 0.00 0.00 176.35 175.38 1s7r s ASN 24 N 0.05 4.41 -0.32 3.68 0.01 -0.24 -2.32 114.94 120.21 1s7r s ASN 24 Ca 0.09 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1s7r s ASN 24 Cb -0.11 -1.01 0.10 0.00 0.41 0.00 0.00 41.25 40.64 1s7r s ASN 24 CO -0.00 0.33 0.10 0.00 -1.51 0.00 0.00 177.10 176.01 1s7r s TYR 26 N 1.43 3.31 -0.20 0.00 5.04 0.06 -1.66 117.35 125.34 1s7r s TYR 26 Ca 0.11 0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 55.35 1s7r s TYR 26 Cb -0.18 -2.63 0.01 0.00 0.35 0.00 0.00 41.96 39.50 1s7r s TYR 26 CO -0.21 -0.16 -0.13 0.08 -1.34 0.00 0.00 175.55 173.78 1s7r s VAL 27 N 1.86 2.63 0.32 3.14 1.01 -1.00 -1.40 120.40 126.97 1s7r s VAL 27 Ca 0.20 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1s7r s VAL 27 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1s7r s VAL 27 CO 0.09 0.49 0.12 0.42 0.00 0.00 0.00 175.10 176.22 1s7r s THR 28 N 1.35 0.62 -1.34 3.92 -4.23 -0.40 -1.76 115.64 113.80 1s7r s THR 28 Ca 0.05 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.39 1s7r s THR 28 Cb -0.14 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.16 1s7r s THR 28 CO -0.08 0.00 0.45 0.00 -0.54 0.00 0.00 174.62 174.45 1s7r n GLN 29 N -0.66 -1.07 -4.20 3.99 6.02 -0.11 -2.47 117.38 118.88 1s7r n GLN 29 Ca -0.01 0.18 -0.18 0.00 -0.01 0.00 0.00 57.00 56.97 1s7r n GLN 29 Cb 0.66 -3.38 -0.12 0.00 1.02 0.00 0.00 30.24 28.42 1s7r n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1s7r s PHE 30 N -3.85 1.31 -0.29 1.08 -0.71 -1.01 -4.20 117.98 110.31 1s7r s PHE 30 Ca 0.27 -0.50 -0.19 0.00 -1.04 0.00 0.00 56.93 55.47 1s7r s PHE 30 Cb -0.13 -0.72 0.13 0.00 -1.21 0.00 0.00 43.02 41.09 1s7r s PHE 30 CO 0.95 0.09 0.96 -1.58 -1.34 0.00 0.00 175.22 174.30 1s7r s HIS 31 N -1.61 -0.60 0.95 3.49 2.46 -1.23 0.20 115.29 118.95 1s7r s HIS 31 Ca 0.03 1.27 -0.12 0.00 0.47 0.00 0.00 55.06 56.71 1s7r s HIS 31 Cb -0.08 0.38 0.16 0.00 -0.13 0.00 0.00 32.58 32.91 1s7r s HIS 31 CO 0.03 -0.29 1.09 -1.25 -2.47 0.00 0.00 174.74 171.84 1s7r s PRO 32 N 1.00 0.83 0.55 2.88 0.04 -1.26 -2.06 135.00 136.99 1s7r s PRO 32 Ca -0.05 0.83 0.33 0.00 0.04 0.00 0.00 61.00 62.15 1s7r s PRO 32 Cb -0.04 -1.76 1.53 0.00 0.04 0.00 0.00 34.50 34.27 1s7r s PRO 32 CO -0.12 -2.54 2.06 -1.00 0.04 0.00 0.00 177.00 175.44 1s7r h PRO 33 N -1.77 0.00 -6.50 0.56 0.13 -2.00 -3.44 132.00 118.98 1s7r h PRO 33 Ca -0.51 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.09 1s7r h PRO 33 Cb 1.30 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1s7r h PRO 33 CO 0.53 0.06 1.07 -1.58 -0.23 0.00 0.00 178.00 177.85 1s7r s HIS 34 N -3.87 2.30 -0.08 1.56 2.46 -1.26 -4.93 115.29 111.47 1s7r s HIS 34 Ca -0.01 0.12 -0.26 0.00 0.47 0.00 0.00 55.06 55.38 1s7r s HIS 34 Cb 0.11 -4.11 0.06 0.00 -0.13 0.00 0.00 32.58 28.51 1s7r s HIS 34 CO 0.54 -4.50 0.59 -1.50 -2.47 0.00 0.00 174.74 167.39 1s7r s ILE 35 N 2.57 0.01 -0.14 0.89 2.07 -1.26 -4.62 121.20 120.72 1s7r s ILE 35 Ca 0.78 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.92 1s7r s ILE 35 Cb -0.44 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.25 1s7r s ILE 35 CO 0.35 -0.06 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.47 1s7r s GLU 36 N -0.94 3.28 -0.19 3.50 2.12 -0.82 -4.99 118.70 120.66 1s7r s GLU 36 Ca -0.10 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 1s7r s GLU 36 Cb -0.02 -2.60 0.06 0.00 0.26 0.00 0.00 34.13 31.83 1s7r s GLU 36 CO 0.07 0.12 0.02 0.42 -0.54 0.00 0.00 175.26 175.36 1s7r s ILE 37 N 0.55 0.64 -0.12 -3.70 1.01 -1.26 -1.86 121.20 116.46 1s7r s ILE 37 Ca -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1s7r s ILE 37 Cb -0.16 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 1s7r s ILE 37 CO 0.04 -0.15 -0.20 -1.10 0.00 0.00 0.00 174.94 173.53 1s7r s GLN 38 N 1.81 3.13 0.27 2.79 -0.21 -0.84 -5.00 119.66 121.60 1s7r s GLN 38 Ca -0.01 -0.82 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 1s7r s GLN 38 Cb -0.17 -2.45 -0.08 0.00 1.00 0.00 0.00 33.01 31.31 1s7r s GLN 38 CO -0.08 0.11 0.70 -1.64 -2.12 0.00 0.00 175.29 172.27 1s7r s MET 39 N 0.55 4.07 -0.02 2.91 -1.94 -1.26 -1.36 119.30 122.25 1s7r s MET 39 Ca -0.12 0.69 0.03 0.00 -1.71 0.00 0.00 55.69 54.58 1s7r s MET 39 Cb -0.17 -2.63 -0.00 0.00 2.01 0.00 0.00 34.83 34.04 1s7r s MET 39 CO 0.04 0.27 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.70 1s7r s LEU 40 N -2.57 1.93 -0.17 -0.03 1.43 0.27 -1.64 118.68 117.90 1s7r s LEU 40 Ca 0.49 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1s7r s LEU 40 Cb -0.13 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.51 1s7r s LEU 40 CO 0.19 0.12 -0.18 -0.75 0.23 0.00 0.00 176.35 175.96 1s7r s LYS 41 N -0.09 2.73 -1.40 1.70 2.20 0.69 -1.36 119.74 124.21 1s7r s LYS 41 Ca 0.01 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 1s7r s LYS 41 Cb -0.06 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1s7r s LYS 41 CO 0.00 -0.22 0.88 0.09 -0.36 0.00 0.00 175.35 175.74 1s7r n ASN 42 N 4.68 -3.22 0.00 1.43 3.02 0.06 -1.15 115.26 120.08 1s7r n ASN 42 Ca -0.19 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1s7r n ASN 42 Cb 0.50 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1s7r n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7r n GLY 43 N -1.64 0.83 3.95 7.41 0.00 -1.26 -4.98 105.19 109.49 1s7r n GLY 43 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1s7r n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7r s LYS 44 N -0.33 3.48 -0.04 1.61 2.20 -0.30 -5.03 119.74 121.34 1s7r s LYS 44 Ca 0.00 -0.46 -0.22 0.00 -0.36 0.00 0.00 55.97 54.93 1s7r s LYS 44 Cb 0.00 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1s7r s LYS 44 CO 0.00 0.31 0.65 0.21 -0.36 0.00 0.00 175.35 176.16 1s7r s LYS 45 N -3.92 4.40 -0.13 4.03 2.20 -1.26 -0.22 119.74 124.84 1s7r s LYS 45 Ca 0.38 0.82 -0.25 0.00 -0.36 0.00 0.00 55.97 56.55 1s7r s LYS 45 Cb -0.10 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1s7r s LYS 45 CO 0.32 0.20 0.82 0.42 -0.36 0.00 0.00 175.35 176.75 1s7r s ILE 46 N 0.35 4.91 -0.05 5.43 -1.09 -0.65 -4.85 121.20 125.25 1s7r s ILE 46 Ca 0.34 1.65 -0.21 0.00 -2.23 0.00 0.00 60.65 60.20 1s7r s ILE 46 Cb -0.18 -4.14 -0.16 0.00 -1.58 0.00 0.00 42.46 36.40 1s7r s ILE 46 CO 0.18 0.08 0.88 1.55 -1.23 0.00 0.00 174.94 176.40 1s7r h PRO 47 N 7.16 -0.20 -4.26 2.79 0.13 -1.96 -3.40 132.00 132.25 1s7r h PRO 47 Ca -0.33 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.14 1s7r h PRO 47 Cb 1.15 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s7r h PRO 47 CO 0.81 0.24 2.71 1.17 -0.23 0.00 0.00 178.00 182.70 1s7r n LYS 48 N -4.91 2.19 -4.12 0.86 0.00 -1.26 -4.87 118.16 106.04 1s7r n LYS 48 Ca -0.08 -2.24 -0.33 0.00 0.00 0.00 0.00 58.31 55.67 1s7r n LYS 48 Cb 0.27 -3.11 -0.16 0.00 0.00 0.00 0.00 35.03 32.02 1s7r n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1s7r s VAL 49 N 4.15 2.07 -0.03 3.15 1.01 -1.26 -4.58 120.40 124.90 1s7r s VAL 49 Ca 0.52 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1s7r s VAL 49 Cb 0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1s7r s VAL 49 CO 0.01 0.52 0.68 -1.61 0.00 0.00 0.00 175.10 174.70 1s7r s GLU 50 N 1.28 4.42 -0.11 2.72 2.02 -0.34 -4.94 118.70 123.75 1s7r s GLU 50 Ca 0.05 0.86 -0.05 0.00 0.02 0.00 0.00 54.97 55.85 1s7r s GLU 50 Cb -0.13 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1s7r s GLU 50 CO -0.13 0.18 0.07 -1.64 0.02 0.00 0.00 175.26 173.76 1s7r s MET 51 N 0.41 3.30 0.35 1.61 -1.94 -1.26 -1.76 119.30 120.01 1s7r s MET 51 Ca 0.36 -0.28 -0.17 0.00 -1.71 0.00 0.00 55.69 53.88 1s7r s MET 51 Cb -0.18 -3.01 0.05 0.00 2.01 0.00 0.00 34.83 33.70 1s7r s MET 51 CO 0.18 0.68 0.81 -1.54 -0.01 0.00 0.00 175.02 175.15 1s7r s SER 52 N -0.79 -0.03 -1.45 3.03 1.04 0.34 -4.98 113.70 110.86 1s7r s SER 52 Ca 0.13 -1.03 -0.08 0.00 0.48 0.00 0.00 55.95 55.44 1s7r s SER 52 Cb -0.12 0.80 0.05 0.00 0.10 0.00 0.00 66.02 66.86 1s7r s SER 52 CO 0.03 -1.58 0.85 0.47 0.98 0.00 0.00 173.24 173.99 1s7r n ASP 53 N -1.28 -3.24 -4.75 7.02 9.92 -1.26 -1.06 116.55 121.91 1s7r n ASP 53 Ca -0.07 -0.81 -0.41 0.00 -0.53 0.00 0.00 54.79 52.97 1s7r n ASP 53 Cb 0.60 -3.90 -0.04 0.00 -0.64 0.00 0.00 41.12 37.14 1s7r n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1s7r s MET 54 N -6.39 4.56 0.16 -1.24 1.75 -1.26 -4.31 119.30 112.58 1s7r s MET 54 Ca 0.39 1.87 -0.24 0.00 -1.25 0.00 0.00 55.69 56.45 1s7r s MET 54 Cb -0.20 -3.20 0.06 0.00 2.84 0.00 0.00 34.83 34.34 1s7r s MET 54 CO 0.83 0.07 0.96 -1.54 -0.65 0.00 0.00 175.02 174.69 1s7r s SER 55 N -0.49 -0.15 0.51 1.11 1.04 0.20 -4.99 113.70 110.93 1s7r s SER 55 Ca 0.48 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.48 1s7r s SER 55 Cb -0.33 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1s7r s SER 55 CO 0.41 -0.93 0.09 -0.36 0.98 0.00 0.00 173.24 173.43 1s7r s PHE 56 N -3.16 1.88 0.39 5.02 0.08 -1.26 -0.73 117.98 120.21 1s7r s PHE 56 Ca 0.13 -0.90 0.08 0.00 0.12 0.00 0.00 56.93 56.36 1s7r s PHE 56 Cb -0.02 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.68 1s7r s PHE 56 CO 0.03 0.10 0.10 -1.54 -0.10 0.00 0.00 175.22 173.81 1s7r s SER 57 N -3.95 4.24 0.37 1.36 1.04 -1.13 -4.94 113.70 110.68 1s7r s SER 57 Ca 0.15 -1.13 0.15 0.00 0.48 0.00 0.00 55.95 55.60 1s7r s SER 57 Cb 0.01 -0.47 1.02 0.00 0.10 0.00 0.00 66.02 66.68 1s7r s SER 57 CO 0.08 -0.45 1.75 0.11 0.98 0.00 0.00 173.24 175.72 1s7r h LYS 58 N 1.60 0.46 -1.00 4.02 1.57 -2.02 0.89 116.57 122.08 1s7r h LYS 58 Ca -0.43 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.45 1s7r h LYS 58 Cb 1.25 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.37 1s7r h LYS 58 CO 0.72 0.30 0.63 0.22 -0.57 0.00 0.00 179.45 180.75 1s7r h ASP 59 N 0.47 0.92 0.00 0.86 1.82 -2.05 -3.46 116.42 114.97 1s7r h ASP 59 Ca 0.62 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1s7r h ASP 59 Cb 1.40 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1s7r h ASP 59 CO -0.37 0.48 0.00 0.79 -1.61 0.00 0.00 179.24 178.53 1s7r n TRP 60 N -4.63 0.00 -1.44 0.28 7.02 0.31 -5.08 117.44 113.89 1s7r n TRP 60 Ca 0.19 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.35 1s7r n TRP 60 Cb 0.37 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.34 1s7r n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7r s SER 61 N -2.47 4.69 0.21 -0.99 1.04 -1.26 -4.59 113.70 110.34 1s7r s SER 61 Ca 0.00 1.92 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 1s7r s SER 61 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1s7r s SER 61 CO 0.00 -1.91 0.50 -0.36 0.98 0.00 0.00 173.24 172.45 1s7r s PHE 62 N -2.65 3.45 -0.03 5.02 0.40 0.13 -2.84 117.98 121.45 1s7r s PHE 62 Ca 0.64 0.74 -0.00 0.00 -0.60 0.00 0.00 56.93 57.71 1s7r s PHE 62 Cb -0.19 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.21 1s7r s PHE 62 CO 0.50 0.30 0.02 0.71 0.70 0.00 0.00 175.22 177.45 1s7r s TYR 63 N -1.82 0.21 0.10 0.36 1.51 0.09 -0.93 117.35 116.88 1s7r s TYR 63 Ca 0.45 0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 56.54 1s7r s TYR 63 Cb -0.11 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.32 1s7r s TYR 63 CO 0.24 -0.14 0.11 -1.50 -1.11 0.00 0.00 175.55 173.14 1s7r s ILE 64 N 1.29 0.14 -0.06 2.71 -1.16 -0.72 -0.63 121.20 122.77 1s7r s ILE 64 Ca -0.06 -1.60 0.01 0.00 -0.51 0.00 0.00 60.65 58.49 1s7r s ILE 64 Cb -0.13 -1.68 0.02 0.00 0.61 0.00 0.00 42.46 41.28 1s7r s ILE 64 CO -0.03 -0.63 -0.08 -0.22 -2.81 0.00 0.00 174.94 171.18 1s7r s LEU 65 N -2.95 1.41 -0.04 8.50 2.96 -0.22 -2.37 118.68 125.98 1s7r s LEU 65 Ca 0.13 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1s7r s LEU 65 Cb 0.06 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 1s7r s LEU 65 CO -0.05 -0.03 -0.02 0.00 -1.32 0.00 0.00 176.35 174.93 1s7r s ALA 66 N 0.92 3.20 0.12 5.97 0.00 -0.66 -0.51 121.76 130.80 1s7r s ALA 66 Ca -0.11 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1s7r s ALA 66 Cb -0.15 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.69 1s7r s ALA 66 CO 0.01 0.61 0.49 -3.38 0.00 0.00 0.00 175.76 173.49 1s7r s HIS 67 N -0.97 -0.36 0.06 0.00 -3.43 -0.72 -1.40 115.29 108.47 1s7r s HIS 67 Ca 0.16 0.15 -0.19 0.00 -0.80 0.00 0.00 55.06 54.39 1s7r s HIS 67 Cb -0.11 0.37 0.04 0.00 -1.43 0.00 0.00 32.58 31.45 1s7r s HIS 67 CO 0.06 -0.74 0.44 -0.08 -2.00 0.00 0.00 174.74 172.42 1s7r s THR 68 N -3.50 0.05 0.42 -5.38 -1.32 -0.98 -1.20 115.64 103.74 1s7r s THR 68 Ca 0.01 -0.42 -0.23 0.00 -1.21 0.00 0.00 61.69 59.83 1s7r s THR 68 Cb 0.00 -0.99 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 1s7r s THR 68 CO -0.10 -0.23 1.07 -1.61 -2.21 0.00 0.00 174.62 171.53 1s7r s GLU 69 N -2.69 4.04 0.06 7.08 2.02 -1.26 -0.36 118.70 127.58 1s7r s GLU 69 Ca -0.04 1.54 -0.23 0.00 0.02 0.00 0.00 54.97 56.26 1s7r s GLU 69 Cb -0.00 -2.45 0.06 0.00 0.10 0.00 0.00 34.13 31.83 1s7r s GLU 69 CO -0.04 -0.26 0.54 -0.59 0.02 0.00 0.00 175.26 174.94 1s7r s PHE 70 N -1.69 -0.46 -0.26 1.61 -0.71 -0.62 -4.83 117.98 111.04 1s7r s PHE 70 Ca 0.60 0.49 0.02 0.00 -1.04 0.00 0.00 56.93 57.01 1s7r s PHE 70 Cb -0.22 0.38 0.06 0.00 -1.21 0.00 0.00 43.02 42.03 1s7r s PHE 70 CO 0.28 -0.67 -0.09 0.99 -1.34 0.00 0.00 175.22 174.39 1s7r s THR 71 N -2.58 1.97 0.64 -4.49 2.01 -1.26 -1.42 115.64 110.51 1s7r s THR 71 Ca -0.05 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.25 1s7r s THR 71 Cb -0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1s7r s THR 71 CO -0.03 -0.07 0.82 -2.65 -0.69 0.00 0.00 174.62 172.00 1s7r n PRO 72 N 4.50 0.64 -3.77 4.92 -0.02 -1.26 -4.82 135.00 135.19 1s7r n PRO 72 Ca -0.13 0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 1s7r n PRO 72 Cb 0.43 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 1s7r n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s7r s THR 73 N -1.67 0.06 0.24 3.45 2.01 -1.26 -2.27 115.64 116.19 1s7r s THR 73 Ca 0.73 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1s7r s THR 73 Cb -0.39 -0.59 0.16 0.00 0.01 0.00 0.00 72.50 71.68 1s7r s THR 73 CO 0.50 -0.27 1.79 -0.08 -0.69 0.00 0.00 174.62 175.88 1s7r h GLU 74 N 3.97 1.06 0.03 4.92 4.57 -2.00 -3.11 114.58 124.01 1s7r h GLU 74 Ca -0.30 -0.20 -0.26 0.00 -1.18 0.00 0.00 59.36 57.42 1s7r h GLU 74 Cb 1.18 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1s7r h GLU 74 CO 0.40 0.89 -1.33 1.79 -1.18 0.00 0.00 179.01 179.57 1s7r h THR 75 N 1.03 1.33 -2.67 0.32 1.35 -2.02 -3.46 112.91 108.77 1s7r h THR 75 Ca 0.23 -3.07 -0.53 0.00 -0.55 0.00 0.00 66.41 62.50 1s7r h THR 75 Cb 0.26 2.70 0.04 0.00 -1.73 0.00 0.00 68.15 69.42 1s7r h THR 75 CO -0.01 0.79 1.00 -1.81 -0.25 0.00 0.00 175.52 175.24 1s7r s ASP 76 N -6.58 6.49 -0.13 5.36 1.01 -1.18 -5.00 116.67 116.65 1s7r s ASP 76 Ca -0.03 2.69 -0.03 0.00 0.71 0.00 0.00 52.55 55.90 1s7r s ASP 76 Cb 0.09 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1s7r s ASP 76 CO 0.83 -0.93 -0.02 -0.89 0.21 0.00 0.00 175.17 174.37 1s7r s THR 77 N 1.92 4.09 0.15 -1.27 2.01 -1.26 -4.73 115.64 116.54 1s7r s THR 77 Ca 0.75 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.55 1s7r s THR 77 Cb -0.45 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1s7r s THR 77 CO 0.33 0.53 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.27 1s7r s TYR 78 N -0.12 2.41 0.25 4.92 1.51 -1.26 -0.76 117.35 124.30 1s7r s TYR 78 Ca 0.03 -0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 55.60 1s7r s TYR 78 Cb -0.13 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1s7r s TYR 78 CO 0.02 0.41 0.59 0.00 -1.11 0.00 0.00 175.55 175.46 1s7r s ALA 79 N -1.29 -0.78 -0.06 3.71 0.00 -0.47 -1.22 121.76 121.65 1s7r s ALA 79 Ca 0.18 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 1s7r s ALA 79 Cb -0.10 0.94 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1s7r s ALA 79 CO 0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 175.76 174.90 1s7r s ARG 81 N 1.57 3.51 -0.07 0.00 3.52 -0.46 0.43 118.95 127.45 1s7r s ARG 81 Ca -0.01 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1s7r s ARG 81 Cb -0.13 -2.76 -0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1s7r s ARG 81 CO -0.03 0.23 -0.20 0.08 -0.81 0.00 0.00 175.30 174.57 1s7r s VAL 82 N 0.34 1.73 -0.16 7.11 1.01 -0.38 -1.99 120.40 128.06 1s7r s VAL 82 Ca -0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1s7r s VAL 82 Cb -0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1s7r s VAL 82 CO 0.04 0.49 -0.02 -0.54 0.00 0.00 0.00 175.10 175.07 1s7r s LYS 83 N 0.21 3.70 0.23 2.72 1.02 -0.78 -2.01 119.74 124.83 1s7r s LYS 83 Ca -0.11 -0.50 -0.07 0.00 0.02 0.00 0.00 55.97 55.31 1s7r s LYS 83 Cb -0.15 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1s7r s LYS 83 CO 0.05 0.22 0.32 -1.58 -0.92 0.00 0.00 175.35 173.45 1s7r s HIS 84 N 0.42 0.74 -1.53 3.18 2.46 -1.26 -1.94 115.29 117.36 1s7r s HIS 84 Ca -0.03 -1.03 0.29 0.00 0.47 0.00 0.00 55.06 54.76 1s7r s HIS 84 Cb -0.14 -0.15 1.25 0.00 -0.13 0.00 0.00 32.58 33.40 1s7r s HIS 84 CO 0.03 -0.84 1.88 -0.25 -2.47 0.00 0.00 174.74 173.08 1s7r n ASP 85 N -0.35 0.35 -1.17 9.88 8.00 -1.26 -3.38 116.55 128.62 1s7r n ASP 85 Ca 0.00 -0.41 0.07 0.00 0.71 0.00 0.00 54.79 55.16 1s7r n ASP 85 Cb 0.64 -0.12 0.25 0.00 -0.02 0.00 0.00 41.12 41.87 1s7r n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s7r n SER 86 N -1.08 3.40 -3.96 -2.24 3.41 -1.26 -4.90 113.62 106.98 1s7r n SER 86 Ca 0.13 -2.26 -0.27 0.00 -0.26 0.00 0.00 58.87 56.22 1s7r n SER 86 Cb 0.28 -0.46 -0.17 0.00 -0.26 0.00 0.00 64.21 63.60 1s7r n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s7r s MET 87 N -1.67 1.71 0.00 4.33 -1.94 -1.22 -4.85 119.30 115.67 1s7r s MET 87 Ca 0.36 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.99 1s7r s MET 87 Cb 0.22 -1.61 0.00 0.00 2.01 0.00 0.00 34.83 35.45 1s7r s MET 87 CO 0.19 -0.16 0.60 0.00 -0.01 0.00 0.00 175.02 175.64 1s7r n ALA 88 N 4.53 0.00 -2.51 3.03 0.00 -1.26 -4.75 120.51 119.55 1s7r n ALA 88 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 1s7r n ALA 88 Cb 0.51 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 20.18 1s7r n ALA 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s7r s GLU 89 N -1.54 2.20 0.02 0.00 8.01 -1.26 -5.08 118.70 121.04 1s7r s GLU 89 Ca 0.00 -1.71 -0.30 0.00 0.01 0.00 0.00 54.97 52.97 1s7r s GLU 89 Cb 0.00 -2.01 -0.09 0.00 -4.31 0.00 0.00 34.13 27.72 1s7r s GLU 89 CO 0.00 0.07 1.99 -2.14 0.01 0.00 0.00 175.26 175.19 1s7r s PRO 90 N -3.79 4.07 -0.18 0.39 0.02 -1.26 -4.93 135.00 129.31 1s7r s PRO 90 Ca 0.37 2.58 -0.17 0.00 0.02 0.00 0.00 61.00 63.80 1s7r s PRO 90 Cb 0.00 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.30 1s7r s PRO 90 CO 0.21 -1.04 0.43 0.21 -0.33 0.00 0.00 177.00 176.48 1s7r s LYS 91 N 4.60 4.22 -0.22 5.54 2.20 -0.85 -4.87 119.74 130.36 1s7r s LYS 91 Ca 0.89 0.28 -0.03 0.00 -0.36 0.00 0.00 55.97 56.76 1s7r s LYS 91 Cb -0.42 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1s7r s LYS 91 CO 0.41 0.01 -0.08 0.99 -0.36 0.00 0.00 175.35 176.33 1s7r s THR 92 N 1.14 3.05 -0.24 3.43 2.01 -1.26 -1.25 115.64 122.52 1s7r s THR 92 Ca 0.21 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1s7r s THR 92 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1s7r s THR 92 CO 0.08 0.41 0.14 -0.69 -0.69 0.00 0.00 174.62 173.87 1s7r s VAL 93 N 1.42 5.14 0.31 3.82 1.01 0.17 -4.89 120.40 127.38 1s7r s VAL 93 Ca 0.05 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1s7r s VAL 93 Cb -0.14 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1s7r s VAL 93 CO -0.05 0.34 0.71 -0.31 0.00 0.00 0.00 175.10 175.79 1s7r s TYR 94 N 1.15 3.38 0.16 5.22 1.51 -1.26 -0.06 117.35 127.46 1s7r s TYR 94 Ca 0.07 1.15 -0.30 0.00 -1.01 0.00 0.00 57.07 56.98 1s7r s TYR 94 Cb -0.14 -2.48 -0.07 0.00 -0.11 0.00 0.00 41.96 39.16 1s7r s TYR 94 CO 0.05 0.11 0.98 -0.46 -1.11 0.00 0.00 175.55 175.12 1s7r s TRP 95 N -1.97 3.83 -0.34 2.71 -0.00 -0.36 -4.83 118.94 117.98 1s7r s TRP 95 Ca 0.53 1.81 0.02 0.00 -0.00 0.00 0.00 56.10 58.46 1s7r s TRP 95 Cb -0.10 -3.07 0.10 0.00 -0.00 0.00 0.00 33.47 30.40 1s7r s TRP 95 CO 0.19 0.15 0.08 0.34 -0.00 0.00 0.00 176.95 177.71 1s7r s ASP 96 N -0.40 4.46 0.51 5.86 2.15 -1.26 -4.81 116.67 123.18 1s7r s ASP 96 Ca 0.45 -2.03 0.18 0.00 0.43 0.00 0.00 52.55 51.59 1s7r s ASP 96 Cb -0.25 -1.34 1.30 0.00 -0.30 0.00 0.00 42.92 42.33 1s7r s ASP 96 CO 0.31 -0.38 2.13 0.03 -0.17 0.00 0.00 175.17 177.09 1s7r h ARG 97 N 7.71 0.00 0.01 4.34 3.08 -1.96 -2.80 114.38 124.75 1s7r h ARG 97 Ca -0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 1s7r h ARG 97 Cb 1.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 1s7r h ARG 97 CO 0.51 0.05 -0.96 -0.44 -1.07 0.00 0.00 179.97 178.06 1s7r h ASP 98 N 0.00 0.02 0.00 7.04 3.32 -2.02 -3.45 116.42 121.33 1s7r h ASP 98 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1s7r h ASP 98 Cb 0.10 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1s7r h ASP 98 CO 0.01 0.97 0.00 0.80 -1.72 0.00 0.00 179.24 179.29