#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7q s GLN 2 N 0.00 0.29 -0.08 6.28 0.74 -1.26 -4.49 119.66 121.14 1s7q s GLN 2 Ca 0.00 0.13 0.03 0.00 0.05 0.00 0.00 55.36 55.57 1s7q s GLN 2 Cb 0.00 -0.57 0.01 0.00 1.10 0.00 0.00 33.01 33.55 1s7q s GLN 2 CO 0.00 -0.20 -0.16 0.15 -0.55 0.00 0.00 175.29 174.54 1s7q s LYS 3 N 1.38 2.11 0.09 1.67 1.02 -0.12 -4.94 119.74 120.96 1s7q s LYS 3 Ca -0.05 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 1s7q s LYS 3 Cb -0.13 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1s7q s LYS 3 CO -0.03 0.06 0.98 0.99 -0.92 0.00 0.00 175.35 176.43 1s7q s THR 4 N 0.61 4.52 0.42 2.17 2.01 -1.26 -2.07 115.64 122.04 1s7q s THR 4 Ca -0.15 2.03 -0.26 0.00 0.31 0.00 0.00 61.69 63.62 1s7q s THR 4 Cb -0.16 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 67.97 1s7q s THR 4 CO 0.05 0.28 1.34 -2.16 -0.69 0.00 0.00 174.62 173.44 1s7q s PRO 5 N 0.19 3.90 -0.10 4.92 0.04 -1.26 -4.55 135.00 138.14 1s7q s PRO 5 Ca 0.48 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.62 1s7q s PRO 5 Cb -0.23 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 1s7q s PRO 5 CO 0.30 -0.58 0.34 -0.65 0.04 0.00 0.00 177.00 176.45 1s7q s GLN 6 N -2.29 4.08 -0.15 4.56 -1.52 0.69 -4.91 119.66 120.13 1s7q s GLN 6 Ca 0.58 0.23 0.01 0.00 -1.95 0.00 0.00 55.36 54.23 1s7q s GLN 6 Cb -0.40 -3.34 0.02 0.00 -0.22 0.00 0.00 33.01 29.07 1s7q s GLN 6 CO 0.51 0.42 -0.17 0.42 -0.25 0.00 0.00 175.29 176.22 1s7q s ILE 7 N -0.13 1.78 -0.07 1.08 1.01 -1.26 -0.71 121.20 122.90 1s7q s ILE 7 Ca 0.20 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1s7q s ILE 7 Cb -0.14 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.71 1s7q s ILE 7 CO 0.08 0.49 -0.16 -1.10 0.00 0.00 0.00 174.94 174.25 1s7q s GLN 8 N 1.26 2.05 -0.09 2.79 -0.21 -0.28 -4.97 119.66 120.21 1s7q s GLN 8 Ca 0.02 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 54.86 1s7q s GLN 8 Cb -0.14 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.22 1s7q s GLN 8 CO -0.09 0.11 -0.20 0.08 -2.12 0.00 0.00 175.29 173.07 1s7q s VAL 9 N 0.44 1.80 -0.09 1.09 1.01 -1.26 -0.54 120.40 122.85 1s7q s VAL 9 Ca -0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1s7q s VAL 9 Cb -0.15 -1.57 0.10 0.00 0.00 0.00 0.00 36.38 34.75 1s7q s VAL 9 CO 0.05 0.50 0.84 -0.72 0.00 0.00 0.00 175.10 175.77 1s7q s TYR 10 N 0.47 -0.49 0.18 5.22 -0.85 -0.52 -4.70 117.35 116.67 1s7q s TYR 10 Ca -0.17 0.78 -0.03 0.00 -0.52 0.00 0.00 57.07 57.13 1s7q s TYR 10 Cb -0.17 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.56 1s7q s TYR 10 CO 0.07 -0.49 0.41 -1.54 -1.52 0.00 0.00 175.55 172.47 1s7q s SER 11 N -1.34 6.44 0.15 -0.18 1.04 -1.26 -0.20 113.70 118.36 1s7q s SER 11 Ca -0.05 0.53 -0.15 0.00 0.48 0.00 0.00 55.95 56.76 1s7q s SER 11 Cb -0.00 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 64.07 1s7q s SER 11 CO 0.03 -0.02 1.76 -0.09 0.98 0.00 0.00 173.24 175.91 1s7q h ARG 12 N 2.36 0.62 -6.33 4.02 9.65 -1.37 -3.44 114.38 119.89 1s7q h ARG 12 Ca -0.47 -0.07 -0.60 0.00 -1.10 0.00 0.00 59.98 57.74 1s7q h ARG 12 Cb 1.18 -0.12 -0.12 0.00 -1.39 0.00 0.00 29.97 29.52 1s7q h ARG 12 CO 0.70 0.49 -0.68 -1.01 2.80 0.00 0.00 179.97 182.27 1s7q s HIS 13 N -5.87 2.70 0.17 2.20 3.76 -1.26 -5.03 115.29 111.95 1s7q s HIS 13 Ca -0.13 -0.20 -0.34 0.00 -0.15 0.00 0.00 55.06 54.24 1s7q s HIS 13 Cb 0.11 -1.27 -0.14 0.00 1.11 0.00 0.00 32.58 32.39 1s7q s HIS 13 CO 0.74 0.56 1.56 -2.30 -0.85 0.00 0.00 174.74 174.45 1s7q n PRO 14 N -0.35 2.13 -2.25 8.40 -0.02 -1.26 -4.86 135.00 136.79 1s7q n PRO 14 Ca -0.09 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 1s7q n PRO 14 Cb 0.57 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1s7q n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7q s PRO 15 N 0.79 4.40 -0.08 0.52 0.04 -1.26 -5.03 135.00 134.38 1s7q s PRO 15 Ca 0.78 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.84 1s7q s PRO 15 Cb -0.68 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 30.66 1s7q s PRO 15 CO 0.39 -0.25 -0.12 -1.21 0.04 0.00 0.00 177.00 175.86 1s7q s GLU 16 N 0.09 1.74 0.28 4.56 2.02 -1.26 -5.12 118.70 121.00 1s7q s GLU 16 Ca 0.57 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.86 1s7q s GLU 16 Cb -0.35 -1.53 -0.12 0.00 0.10 0.00 0.00 34.13 32.22 1s7q s GLU 16 CO 0.36 -0.06 1.53 0.09 0.02 0.00 0.00 175.26 177.20 1s7q n ASN 17 N 4.17 3.50 0.00 -0.19 5.03 -1.26 -1.78 115.26 124.72 1s7q n ASN 17 Ca -0.20 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.40 1s7q n ASN 17 Cb 0.51 -1.54 0.00 0.00 -1.02 0.00 0.00 39.78 37.73 1s7q n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s7q n GLY 18 N 2.16 1.85 3.57 7.41 0.00 0.19 -5.00 105.19 115.37 1s7q n GLY 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1s7q n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7q s LYS 19 N -0.23 3.88 0.47 1.61 2.20 -0.73 -4.97 119.74 121.97 1s7q s LYS 19 Ca 0.00 -0.38 -0.24 0.00 -0.36 0.00 0.00 55.97 54.99 1s7q s LYS 19 Cb 0.00 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 1s7q s LYS 19 CO 0.00 0.07 1.27 -2.30 -0.36 0.00 0.00 175.35 174.03 1s7q n PRO 20 N 4.18 1.81 -2.88 4.03 -0.02 -1.26 -4.18 135.00 136.68 1s7q n PRO 20 Ca -0.16 0.65 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1s7q n PRO 20 Cb 0.52 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1s7q n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7q n ASN 21 N -0.15 -1.05 -4.02 2.55 2.85 0.74 -4.98 115.26 111.20 1s7q n ASN 21 Ca 0.08 -2.07 -0.24 0.00 -0.11 0.00 0.00 54.58 52.24 1s7q n ASN 21 Cb 0.41 1.84 -0.16 0.00 1.24 0.00 0.00 39.78 43.11 1s7q n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7q s ILE 22 N -2.59 1.08 -0.13 -1.44 1.01 -1.26 -1.50 121.20 116.38 1s7q s ILE 22 Ca 0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 1s7q s ILE 22 Cb -0.02 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1s7q s ILE 22 CO 0.10 0.34 0.17 -0.22 0.00 0.00 0.00 174.94 175.33 1s7q s LEU 23 N 0.59 4.34 0.02 2.97 2.96 0.05 -0.82 118.68 128.81 1s7q s LEU 23 Ca -0.13 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1s7q s LEU 23 Cb -0.15 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1s7q s LEU 23 CO 0.03 0.33 -0.24 0.20 -1.32 0.00 0.00 176.35 175.35 1s7q s ASN 24 N -0.59 2.83 -0.26 3.68 0.01 0.73 -1.38 114.94 119.96 1s7q s ASN 24 Ca 0.14 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1s7q s ASN 24 Cb -0.12 -0.27 0.07 0.00 0.41 0.00 0.00 41.25 41.34 1s7q s ASN 24 CO 0.03 0.24 0.01 0.00 -1.51 0.00 0.00 177.10 175.88 1s7q s TYR 26 N 1.49 3.23 -0.22 0.00 5.04 0.30 -0.89 117.35 126.30 1s7q s TYR 26 Ca 0.01 0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.67 1s7q s TYR 26 Cb -0.18 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.87 1s7q s TYR 26 CO -0.11 -0.08 -0.10 0.08 -1.34 0.00 0.00 175.55 173.99 1s7q s VAL 27 N 1.31 2.73 0.17 3.14 1.01 -0.21 -1.12 120.40 127.42 1s7q s VAL 27 Ca 0.07 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1s7q s VAL 27 Cb -0.14 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1s7q s VAL 27 CO 0.06 0.36 -0.00 0.42 0.00 0.00 0.00 175.10 175.94 1s7q s THR 28 N 1.35 0.65 -1.28 3.92 -4.23 0.11 -1.29 115.64 114.87 1s7q s THR 28 Ca 0.03 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1s7q s THR 28 Cb -0.15 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.62 1s7q s THR 28 CO -0.07 -0.51 0.84 0.00 -0.54 0.00 0.00 174.62 174.35 1s7q n GLN 29 N -0.22 -5.96 -4.35 3.99 6.02 -0.41 -0.22 117.38 116.23 1s7q n GLN 29 Ca -0.07 0.77 -0.28 0.00 -0.01 0.00 0.00 57.00 57.42 1s7q n GLN 29 Cb 0.63 -5.49 -0.11 0.00 1.02 0.00 0.00 30.24 26.29 1s7q n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1s7q s PHE 30 N -3.21 2.45 -0.26 1.08 -0.71 -1.05 -4.18 117.98 112.10 1s7q s PHE 30 Ca 0.42 -0.30 -0.21 0.00 -1.04 0.00 0.00 56.93 55.79 1s7q s PHE 30 Cb -0.18 -1.24 0.07 0.00 -1.21 0.00 0.00 43.02 40.46 1s7q s PHE 30 CO 0.52 0.46 0.67 -1.58 -1.34 0.00 0.00 175.22 173.95 1s7q s HIS 31 N -1.51 -0.81 0.92 3.49 2.46 -0.88 -0.70 115.29 118.26 1s7q s HIS 31 Ca 0.21 1.87 -0.13 0.00 0.47 0.00 0.00 55.06 57.47 1s7q s HIS 31 Cb -0.09 0.34 0.15 0.00 -0.13 0.00 0.00 32.58 32.85 1s7q s HIS 31 CO 0.11 -0.40 1.18 -1.25 -2.47 0.00 0.00 174.74 171.91 1s7q s PRO 32 N 0.68 1.08 0.45 2.88 0.04 -1.26 -0.95 135.00 137.93 1s7q s PRO 32 Ca -0.03 0.09 0.25 0.00 0.04 0.00 0.00 61.00 61.36 1s7q s PRO 32 Cb -0.05 -1.85 0.98 0.00 0.04 0.00 0.00 34.50 33.62 1s7q s PRO 32 CO -0.04 -2.20 1.85 -1.00 0.04 0.00 0.00 177.00 175.65 1s7q h PRO 33 N -1.49 0.00 -6.53 0.56 0.13 -2.00 -3.44 132.00 119.22 1s7q h PRO 33 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 1s7q h PRO 33 Cb 1.31 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.49 1s7q h PRO 33 CO 0.57 0.20 1.11 1.58 -0.23 0.00 0.00 178.00 181.22 1s7q n HIS 34 N -3.37 2.66 -3.55 1.56 -0.00 -1.26 -4.96 115.22 106.30 1s7q n HIS 34 Ca 0.00 -0.14 -0.17 0.00 0.46 0.00 0.00 57.72 57.87 1s7q n HIS 34 Cb 0.41 -2.73 -0.06 0.00 -0.12 0.00 0.00 29.99 27.49 1s7q n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1s7q s ILE 35 N 2.54 0.01 -0.13 3.57 2.07 -1.26 -4.61 121.20 123.38 1s7q s ILE 35 Ca 0.81 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 60.01 1s7q s ILE 35 Cb -0.48 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.16 1s7q s ILE 35 CO 0.36 -0.03 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.44 1s7q s GLU 36 N -1.33 3.05 -0.14 3.50 2.12 -0.65 -5.00 118.70 120.24 1s7q s GLU 36 Ca -0.11 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.37 1s7q s GLU 36 Cb -0.01 -2.42 0.03 0.00 0.26 0.00 0.00 34.13 32.00 1s7q s GLU 36 CO 0.08 0.04 -0.07 0.42 -0.54 0.00 0.00 175.26 175.19 1s7q s ILE 37 N 0.70 1.10 -0.04 -3.70 1.01 -1.26 -1.06 121.20 117.94 1s7q s ILE 37 Ca -0.10 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.12 1s7q s ILE 37 Cb -0.16 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1s7q s ILE 37 CO 0.01 0.24 -0.22 -1.10 0.00 0.00 0.00 174.94 173.87 1s7q s GLN 38 N 1.66 2.17 -0.05 2.79 -0.21 -0.24 -4.99 119.66 120.78 1s7q s GLN 38 Ca 0.03 -0.80 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 1s7q s GLN 38 Cb -0.14 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 31.92 1s7q s GLN 38 CO -0.08 0.37 0.27 -1.64 -2.12 0.00 0.00 175.29 172.09 1s7q s MET 39 N -0.20 3.66 -0.02 2.91 -1.94 -1.26 -0.53 119.30 121.92 1s7q s MET 39 Ca -0.01 0.10 0.05 0.00 -1.71 0.00 0.00 55.69 54.12 1s7q s MET 39 Cb -0.12 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 1s7q s MET 39 CO 0.02 0.72 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.07 1s7q s LEU 40 N -1.18 1.99 -0.21 -0.03 1.43 0.38 -0.92 118.68 120.14 1s7q s LEU 40 Ca 0.21 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1s7q s LEU 40 Cb -0.14 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1s7q s LEU 40 CO 0.10 0.19 -0.13 -0.75 0.23 0.00 0.00 176.35 175.99 1s7q s LYS 41 N -0.27 2.90 -1.57 1.70 2.20 0.15 -1.42 119.74 123.43 1s7q s LYS 41 Ca 0.04 -0.91 -0.15 0.00 -0.36 0.00 0.00 55.97 54.59 1s7q s LYS 41 Cb -0.08 -2.78 0.10 0.00 -1.51 0.00 0.00 37.83 33.57 1s7q s LYS 41 CO 0.00 -0.30 0.93 0.09 -0.36 0.00 0.00 175.35 175.70 1s7q n ASN 42 N 4.63 -4.50 0.00 1.43 3.02 0.72 -1.48 115.26 119.08 1s7q n ASN 42 Ca -0.19 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1s7q n ASN 42 Cb 0.48 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.04 1s7q n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7q n GLY 43 N -1.61 1.54 3.60 7.41 0.00 -1.26 -5.03 105.19 109.84 1s7q n GLY 43 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1s7q n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7q s LYS 44 N -0.17 3.25 0.14 1.61 2.20 -0.55 -5.04 119.74 121.19 1s7q s LYS 44 Ca 0.00 -0.46 -0.34 0.00 -0.36 0.00 0.00 55.97 54.81 1s7q s LYS 44 Cb 0.00 -2.83 -0.16 0.00 -1.51 0.00 0.00 37.83 33.33 1s7q s LYS 44 CO 0.00 0.51 1.32 1.17 -0.36 0.00 0.00 175.35 178.00 1s7q n LYS 45 N 2.71 1.40 -2.89 4.03 4.81 -1.26 -0.67 118.16 126.29 1s7q n LYS 45 Ca -0.18 0.50 -0.41 0.00 -0.87 0.00 0.00 58.31 57.35 1s7q n LYS 45 Cb 0.53 -2.12 -0.04 0.00 0.02 0.00 0.00 35.03 33.42 1s7q n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s7q s ILE 46 N 0.25 4.89 0.18 3.15 1.01 -0.10 -4.79 121.20 125.78 1s7q s ILE 46 Ca 0.78 1.64 -0.05 0.00 0.00 0.00 0.00 60.65 63.02 1s7q s ILE 46 Cb -0.84 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 37.42 1s7q s ILE 46 CO 0.48 0.04 1.48 1.55 0.00 0.00 0.00 174.94 178.49 1s7q h PRO 47 N 7.29 0.63 -0.89 2.79 0.13 -1.92 -3.38 132.00 136.65 1s7q h PRO 47 Ca -0.30 -0.40 -0.15 0.00 -0.87 0.00 0.00 66.00 64.28 1s7q h PRO 47 Cb 1.14 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1s7q h PRO 47 CO 0.83 1.01 0.19 0.36 -0.23 0.00 0.00 178.00 180.17 1s7q n LYS 48 N -3.97 2.40 -2.01 0.86 2.85 -1.26 -4.97 118.16 112.06 1s7q n LYS 48 Ca -0.03 -1.71 -0.42 0.00 -1.05 0.00 0.00 58.31 55.09 1s7q n LYS 48 Cb 0.61 -1.78 -0.03 0.00 -0.65 0.00 0.00 35.03 33.18 1s7q n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1s7q s VAL 49 N -1.90 3.03 -0.09 0.58 1.01 -1.26 -4.97 120.40 116.81 1s7q s VAL 49 Ca 0.31 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 1s7q s VAL 49 Cb 0.25 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1s7q s VAL 49 CO 0.07 0.02 0.48 -1.61 0.00 0.00 0.00 175.10 174.07 1s7q s GLU 50 N 1.86 4.28 -0.16 2.72 2.02 -0.10 -4.90 118.70 124.42 1s7q s GLU 50 Ca 0.70 0.48 -0.10 0.00 0.02 0.00 0.00 54.97 56.07 1s7q s GLU 50 Cb -0.39 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 1s7q s GLU 50 CO 0.31 0.25 0.16 -1.64 0.02 0.00 0.00 175.26 174.37 1s7q s MET 51 N 0.30 3.92 0.33 1.61 -1.94 -1.26 -0.93 119.30 121.33 1s7q s MET 51 Ca 0.26 -0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 53.99 1s7q s MET 51 Cb -0.16 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.38 1s7q s MET 51 CO 0.12 0.48 0.64 -1.54 -0.01 0.00 0.00 175.02 174.70 1s7q s SER 52 N -0.17 0.18 -1.46 3.03 1.04 0.25 -4.98 113.70 111.58 1s7q s SER 52 Ca 0.12 -1.11 -0.11 0.00 0.48 0.00 0.00 55.95 55.34 1s7q s SER 52 Cb -0.12 0.74 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1s7q s SER 52 CO 0.01 -1.43 0.96 0.47 0.98 0.00 0.00 173.24 174.23 1s7q n ASP 53 N -1.06 -5.49 -4.70 7.02 9.92 -1.26 -0.94 116.55 120.02 1s7q n ASP 53 Ca -0.04 -0.59 -0.42 0.00 -0.53 0.00 0.00 54.79 53.20 1s7q n ASP 53 Cb 0.61 -4.37 -0.03 0.00 -0.64 0.00 0.00 41.12 36.68 1s7q n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1s7q s MET 54 N -6.34 4.38 0.33 -1.24 1.75 -1.26 -4.15 119.30 112.77 1s7q s MET 54 Ca 0.57 1.83 -0.07 0.00 -1.25 0.00 0.00 55.69 56.76 1s7q s MET 54 Cb -0.27 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 34.00 1s7q s MET 54 CO 0.70 -0.37 0.53 -1.54 -0.65 0.00 0.00 175.02 173.70 1s7q s SER 55 N 1.28 0.50 0.14 1.11 1.04 -0.33 -4.99 113.70 112.44 1s7q s SER 55 Ca 0.60 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.82 1s7q s SER 55 Cb -0.30 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1s7q s SER 55 CO 0.28 -1.33 -0.19 -0.36 0.98 0.00 0.00 173.24 172.61 1s7q s PHE 56 N -3.15 1.79 0.78 5.02 0.08 -1.26 -1.32 117.98 119.91 1s7q s PHE 56 Ca 0.26 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 1s7q s PHE 56 Cb -0.01 -0.93 0.16 0.00 -0.57 0.00 0.00 43.02 41.67 1s7q s PHE 56 CO 0.16 0.28 1.06 -1.13 -0.10 0.00 0.00 175.22 175.49 1s7q n SER 57 N 0.59 0.86 0.22 1.36 3.41 -0.57 -4.91 113.62 114.58 1s7q n SER 57 Ca -0.16 -1.86 0.05 0.00 -0.26 0.00 0.00 58.87 56.65 1s7q n SER 57 Cb 0.56 -0.74 0.51 0.00 -0.26 0.00 0.00 64.21 64.28 1s7q n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1s7q h LYS 58 N 0.00 0.02 -0.56 4.33 1.57 -2.02 -0.96 116.57 118.95 1s7q h LYS 58 Ca -0.35 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1s7q h LYS 58 Cb 1.15 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1s7q h LYS 58 CO 0.32 0.17 0.00 -0.40 -0.57 0.00 0.00 179.45 178.97 1s7q n ASP 59 N -4.35 2.27 0.00 0.86 5.75 -1.26 -4.90 116.55 114.92 1s7q n ASP 59 Ca -0.02 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1s7q n ASP 59 Cb 0.22 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1s7q n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1s7q n TRP 60 N 0.33 0.00 -2.07 2.11 7.02 -0.36 -5.01 117.44 119.46 1s7q n TRP 60 Ca 0.11 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.20 1s7q n TRP 60 Cb 0.44 -0.42 -0.00 0.00 -2.42 0.00 0.00 31.31 28.91 1s7q n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7q s SER 61 N -2.61 6.16 0.27 -0.99 1.04 -1.26 -4.66 113.70 111.65 1s7q s SER 61 Ca 0.00 2.59 -0.22 0.00 0.48 0.00 0.00 55.95 58.80 1s7q s SER 61 Cb 0.00 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 1s7q s SER 61 CO 0.00 -0.95 0.81 -0.36 0.98 0.00 0.00 173.24 173.73 1s7q s PHE 62 N -1.33 3.63 -0.00 5.02 0.40 0.12 -1.50 117.98 124.33 1s7q s PHE 62 Ca 0.60 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 58.49 1s7q s PHE 62 Cb -0.36 -2.73 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 1s7q s PHE 62 CO 0.46 0.26 -0.11 0.71 0.70 0.00 0.00 175.22 177.24 1s7q s TYR 63 N -1.61 0.98 -0.13 0.36 1.51 -0.44 -1.28 117.35 116.73 1s7q s TYR 63 Ca 0.47 -0.21 -0.28 0.00 -1.01 0.00 0.00 57.07 56.04 1s7q s TYR 63 Cb -0.17 -0.62 0.07 0.00 -0.11 0.00 0.00 41.96 41.13 1s7q s TYR 63 CO 0.21 -0.01 0.68 -1.50 -1.11 0.00 0.00 175.55 173.82 1s7q s ILE 64 N -0.34 0.00 -0.17 2.71 2.07 -0.41 -1.19 121.20 123.87 1s7q s ILE 64 Ca 0.04 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.22 1s7q s ILE 64 Cb -0.05 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 1s7q s ILE 64 CO -0.00 -0.01 -0.02 -0.22 -1.91 0.00 0.00 174.94 172.78 1s7q s LEU 65 N -0.58 3.31 -0.12 8.50 2.96 -0.12 -1.05 118.68 131.58 1s7q s LEU 65 Ca -0.07 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1s7q s LEU 65 Cb -0.02 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1s7q s LEU 65 CO 0.06 0.14 0.05 0.00 -1.32 0.00 0.00 176.35 175.28 1s7q s ALA 66 N 0.51 3.43 0.07 5.97 0.00 -0.07 -0.58 121.76 131.10 1s7q s ALA 66 Ca -0.02 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 1s7q s ALA 66 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1s7q s ALA 66 CO 0.02 0.46 0.34 -3.38 0.00 0.00 0.00 175.76 173.21 1s7q s HIS 67 N -0.51 -0.13 -0.15 0.00 -3.43 -0.11 -0.33 115.29 110.62 1s7q s HIS 67 Ca 0.10 -0.07 -0.15 0.00 -0.80 0.00 0.00 55.06 54.14 1s7q s HIS 67 Cb -0.12 0.15 0.04 0.00 -1.43 0.00 0.00 32.58 31.22 1s7q s HIS 67 CO 0.02 -0.58 0.43 -0.08 -2.00 0.00 0.00 174.74 172.53 1s7q s THR 68 N -3.05 0.00 0.36 -5.38 -1.32 -0.48 -0.92 115.64 104.85 1s7q s THR 68 Ca -0.02 -0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 1s7q s THR 68 Cb 0.01 -0.61 -0.11 0.00 -1.51 0.00 0.00 72.50 70.28 1s7q s THR 68 CO -0.06 -0.01 1.50 -1.61 -2.21 0.00 0.00 174.62 172.22 1s7q s GLU 69 N 0.12 4.12 0.05 7.08 2.02 -1.26 -0.77 118.70 130.06 1s7q s GLU 69 Ca -0.01 2.56 -0.26 0.00 0.02 0.00 0.00 54.97 57.28 1s7q s GLU 69 Cb -0.03 -2.99 0.06 0.00 0.10 0.00 0.00 34.13 31.28 1s7q s GLU 69 CO 0.01 -0.54 0.60 -0.59 0.02 0.00 0.00 175.26 174.76 1s7q s PHE 70 N -0.87 -0.54 -0.31 1.61 -0.71 -0.56 -4.86 117.98 111.74 1s7q s PHE 70 Ca 0.55 0.66 0.03 0.00 -1.04 0.00 0.00 56.93 57.13 1s7q s PHE 70 Cb -0.46 0.43 0.08 0.00 -1.21 0.00 0.00 43.02 41.86 1s7q s PHE 70 CO 0.59 -0.69 -0.02 0.99 -1.34 0.00 0.00 175.22 174.75 1s7q s THR 71 N -2.39 2.27 0.53 -4.49 2.01 -1.26 -0.18 115.64 112.13 1s7q s THR 71 Ca -0.05 -2.02 -0.21 0.00 0.31 0.00 0.00 61.69 59.71 1s7q s THR 71 Cb -0.01 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1s7q s THR 71 CO -0.01 -0.35 1.25 -2.16 -0.69 0.00 0.00 174.62 172.66 1s7q s PRO 72 N 1.00 3.27 0.21 4.92 0.04 -1.26 -4.77 135.00 138.41 1s7q s PRO 72 Ca 0.02 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.11 1s7q s PRO 72 Cb -0.20 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1s7q s PRO 72 CO -0.06 -1.00 -0.16 0.99 0.04 0.00 0.00 177.00 176.81 1s7q s THR 73 N -1.47 1.82 0.37 1.26 2.01 -1.26 -0.64 115.64 117.74 1s7q s THR 73 Ca 0.71 -2.18 0.14 0.00 0.31 0.00 0.00 61.69 60.67 1s7q s THR 73 Cb -0.34 -2.03 0.12 0.00 0.01 0.00 0.00 72.50 70.26 1s7q s THR 73 CO 0.39 -0.53 1.86 -0.08 -0.69 0.00 0.00 174.62 175.57 1s7q h GLU 74 N 2.65 0.00 0.00 4.92 4.57 -1.97 -3.19 114.58 121.56 1s7q h GLU 74 Ca -0.39 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1s7q h GLU 74 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1s7q h GLU 74 CO 0.60 0.33 -0.51 1.79 -1.18 0.00 0.00 179.01 180.04 1s7q h THR 75 N 0.00 0.07 -3.68 0.32 1.35 -2.03 -3.47 112.91 105.48 1s7q h THR 75 Ca -0.00 -1.11 -0.51 0.00 -0.55 0.00 0.00 66.41 64.23 1s7q h THR 75 Cb 0.61 1.82 0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1s7q h THR 75 CO 0.04 0.04 0.50 -1.81 -0.25 0.00 0.00 175.52 174.04 1s7q s ASP 76 N -5.85 7.21 -0.06 5.36 1.01 -1.21 -5.04 116.67 118.08 1s7q s ASP 76 Ca 0.03 2.24 0.03 0.00 0.71 0.00 0.00 52.55 55.56 1s7q s ASP 76 Cb 0.07 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 1s7q s ASP 76 CO 0.73 -0.23 -0.14 -0.89 0.21 0.00 0.00 175.17 174.85 1s7q s THR 77 N -0.69 3.06 0.10 -1.27 2.01 -1.26 -4.84 115.64 112.75 1s7q s THR 77 Ca 0.48 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1s7q s THR 77 Cb -0.32 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1s7q s THR 77 CO 0.39 0.58 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.41 1s7q s TYR 78 N -0.53 1.59 0.17 4.92 1.51 -1.26 -0.20 117.35 123.56 1s7q s TYR 78 Ca 0.07 -0.45 -0.19 0.00 -1.01 0.00 0.00 57.07 55.50 1s7q s TYR 78 Cb -0.12 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1s7q s TYR 78 CO 0.01 0.17 0.52 0.00 -1.11 0.00 0.00 175.55 175.15 1s7q s ALA 79 N -1.38 -1.12 -0.09 3.71 0.00 -0.51 -1.29 121.76 121.08 1s7q s ALA 79 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1s7q s ALA 79 Cb -0.09 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1s7q s ALA 79 CO 0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 175.76 174.93 1s7q s ARG 81 N 1.24 3.21 -0.05 0.00 3.52 0.31 -0.80 118.95 126.38 1s7q s ARG 81 Ca -0.04 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 1s7q s ARG 81 Cb -0.14 -2.48 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1s7q s ARG 81 CO -0.03 0.16 -0.13 0.08 -0.81 0.00 0.00 175.30 174.57 1s7q s VAL 82 N 0.43 1.18 -0.14 7.11 1.01 0.16 -1.08 120.40 129.07 1s7q s VAL 82 Ca -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1s7q s VAL 82 Cb -0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1s7q s VAL 82 CO 0.06 0.36 -0.16 -0.54 0.00 0.00 0.00 175.10 174.82 1s7q s LYS 83 N 0.37 3.25 0.01 2.72 1.02 -0.23 -1.09 119.74 125.80 1s7q s LYS 83 Ca -0.09 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 54.99 1s7q s LYS 83 Cb -0.13 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1s7q s LYS 83 CO 0.03 0.12 0.34 -1.58 -0.92 0.00 0.00 175.35 173.34 1s7q s HIS 84 N 0.57 -0.20 0.50 3.18 2.46 -1.26 -1.64 115.29 118.90 1s7q s HIS 84 Ca -0.10 0.22 0.28 0.00 0.47 0.00 0.00 55.06 55.94 1s7q s HIS 84 Cb -0.16 0.13 1.62 0.00 -0.13 0.00 0.00 32.58 34.04 1s7q s HIS 84 CO 0.04 -0.46 2.16 -0.44 -2.47 0.00 0.00 174.74 173.56 1s7q h ASP 85 N 3.50 0.00 0.51 9.88 3.32 -1.93 -1.81 116.42 129.88 1s7q h ASP 85 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1s7q h ASP 85 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1s7q h ASP 85 CO 0.42 0.06 0.00 -1.54 -1.72 0.00 0.00 179.24 176.47 1s7q n SER 86 N -3.77 0.31 -4.10 6.45 3.41 -1.26 -4.69 113.62 109.98 1s7q n SER 86 Ca -0.02 0.59 -0.27 0.00 -0.26 0.00 0.00 58.87 58.90 1s7q n SER 86 Cb 0.16 -0.65 -0.17 0.00 -0.26 0.00 0.00 64.21 63.30 1s7q n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s7q s MET 87 N -3.17 2.20 0.17 4.33 -1.94 -0.68 -4.94 119.30 115.26 1s7q s MET 87 Ca 0.05 -0.59 -0.14 0.00 -1.71 0.00 0.00 55.69 53.30 1s7q s MET 87 Cb 0.08 -1.74 0.06 0.00 2.01 0.00 0.00 34.83 35.25 1s7q s MET 87 CO 0.29 0.09 1.80 0.00 -0.01 0.00 0.00 175.02 177.18 1s7q h ALA 88 N 6.86 0.68 -2.78 3.03 0.00 -1.83 -3.43 119.26 121.78 1s7q h ALA 88 Ca -0.27 -0.07 -0.62 0.00 0.00 0.00 0.00 54.91 53.95 1s7q h ALA 88 Cb 1.21 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1s7q h ALA 88 CO 0.47 0.17 -0.76 -1.21 0.00 0.00 0.00 179.25 177.92 1s7q s GLU 89 N -5.97 1.81 0.31 0.00 8.01 -1.26 -5.10 118.70 116.50 1s7q s GLU 89 Ca -0.13 -1.49 -0.29 0.00 0.01 0.00 0.00 54.97 53.07 1s7q s GLU 89 Cb 0.12 -1.96 -0.12 0.00 -4.31 0.00 0.00 34.13 27.86 1s7q s GLU 89 CO 0.75 0.39 1.36 -2.30 0.01 0.00 0.00 175.26 175.48 1s7q n PRO 90 N -0.15 2.19 -4.21 0.39 -0.02 -1.26 -4.90 135.00 127.04 1s7q n PRO 90 Ca -0.09 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1s7q n PRO 90 Cb 0.57 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 1s7q n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s7q s LYS 91 N -1.35 3.65 -0.13 -0.52 2.20 -0.25 -4.91 119.74 118.43 1s7q s LYS 91 Ca 0.60 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1s7q s LYS 91 Cb -0.58 -3.03 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1s7q s LYS 91 CO 0.58 0.37 -0.18 0.99 -0.36 0.00 0.00 175.35 176.75 1s7q s THR 92 N 0.05 2.56 -0.13 3.43 2.01 -1.26 -0.67 115.64 121.63 1s7q s THR 92 Ca 0.03 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1s7q s THR 92 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1s7q s THR 92 CO 0.02 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.67 1s7q s VAL 93 N 0.56 3.13 0.00 3.82 1.01 0.02 -4.95 120.40 123.99 1s7q s VAL 93 Ca -0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1s7q s VAL 93 Cb -0.16 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1s7q s VAL 93 CO 0.04 0.52 0.30 -0.31 0.00 0.00 0.00 175.10 175.64 1s7q s TYR 94 N 0.38 3.60 0.07 5.22 1.51 -1.26 -0.90 117.35 125.97 1s7q s TYR 94 Ca -0.10 0.67 -0.31 0.00 -1.01 0.00 0.00 57.07 56.32 1s7q s TYR 94 Cb -0.16 -2.06 -0.08 0.00 -0.11 0.00 0.00 41.96 39.56 1s7q s TYR 94 CO 0.05 0.62 1.54 -0.46 -1.11 0.00 0.00 175.55 176.19 1s7q s TRP 95 N -1.25 2.73 -0.44 2.71 -0.00 -0.41 -4.89 118.94 117.38 1s7q s TRP 95 Ca 0.26 0.57 -0.03 0.00 -0.00 0.00 0.00 56.10 56.91 1s7q s TRP 95 Cb -0.14 -3.84 0.12 0.00 -0.00 0.00 0.00 33.47 29.60 1s7q s TRP 95 CO 0.15 -3.25 0.24 0.34 -0.00 0.00 0.00 176.95 174.43 1s7q s ASP 96 N 1.93 5.27 0.59 5.86 -1.08 -1.26 -4.77 116.67 123.21 1s7q s ASP 96 Ca 0.70 -2.13 0.29 0.00 -0.52 0.00 0.00 52.55 50.89 1s7q s ASP 96 Cb -0.38 -1.84 1.74 0.00 -1.46 0.00 0.00 42.92 40.99 1s7q s ASP 96 CO 0.30 -0.53 2.18 0.03 0.52 0.00 0.00 175.17 177.68 1s7q h ARG 97 N 7.94 0.00 -0.16 4.34 3.08 -1.97 -2.40 114.38 125.20 1s7q h ARG 97 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1s7q h ARG 97 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1s7q h ARG 97 CO 0.71 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.36 1s7q n ASP 98 N -3.82 2.86 0.00 7.04 8.00 -1.26 -4.85 116.55 124.52 1s7q n ASP 98 Ca -0.01 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1s7q n ASP 98 Cb 0.20 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1s7q n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61