#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7x s GLN 2 N 0.00 4.40 -0.14 9.51 -1.52 -1.26 -4.71 119.66 125.93 1s7x s GLN 2 Ca 0.00 2.14 -0.00 0.00 -1.95 0.00 0.00 55.36 55.55 1s7x s GLN 2 Cb 0.00 -3.11 -0.01 0.00 -0.22 0.00 0.00 33.01 29.67 1s7x s GLN 2 CO 0.00 -0.15 -0.13 0.15 -0.25 0.00 0.00 175.29 174.91 1s7x s LYS 3 N -1.46 3.33 0.04 2.91 1.02 -0.55 -4.94 119.74 120.09 1s7x s LYS 3 Ca 0.50 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.50 1s7x s LYS 3 Cb -0.38 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1s7x s LYS 3 CO 0.49 0.12 0.91 -0.08 -0.92 0.00 0.00 175.35 175.87 1s7x s THR 4 N 0.58 4.72 0.33 2.17 -1.32 -1.26 -2.46 115.64 118.41 1s7x s THR 4 Ca -0.08 1.93 -0.29 0.00 -1.21 0.00 0.00 61.69 62.04 1s7x s THR 4 Cb -0.16 -4.26 -0.10 0.00 -1.51 0.00 0.00 72.50 66.47 1s7x s THR 4 CO 0.03 0.26 1.30 -2.16 -2.21 0.00 0.00 174.62 171.85 1s7x s PRO 5 N 0.42 4.36 -0.11 7.08 0.04 -1.26 -4.55 135.00 140.98 1s7x s PRO 5 Ca 0.46 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.64 1s7x s PRO 5 Cb -0.21 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1s7x s PRO 5 CO 0.27 -0.18 0.15 -0.65 0.04 0.00 0.00 177.00 176.63 1s7x s GLN 6 N -1.79 3.46 -0.08 4.56 -1.52 -0.54 -4.94 119.66 118.80 1s7x s GLN 6 Ca 0.49 -0.12 0.01 0.00 -1.95 0.00 0.00 55.36 53.79 1s7x s GLN 6 Cb -0.40 -3.19 0.02 0.00 -0.22 0.00 0.00 33.01 29.23 1s7x s GLN 6 CO 0.53 0.77 -0.09 0.42 -0.25 0.00 0.00 175.29 176.67 1s7x s ILE 7 N -1.05 0.98 -0.04 1.08 1.01 -1.26 -1.37 121.20 120.56 1s7x s ILE 7 Ca 0.16 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1s7x s ILE 7 Cb -0.12 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1s7x s ILE 7 CO 0.05 0.34 -0.24 -1.10 0.00 0.00 0.00 174.94 173.99 1s7x s GLN 8 N 1.09 2.30 -0.14 2.79 -0.21 -0.45 -5.00 119.66 120.05 1s7x s GLN 8 Ca -0.07 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.44 1s7x s GLN 8 Cb -0.14 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.74 1s7x s GLN 8 CO -0.01 0.52 -0.19 0.08 -2.12 0.00 0.00 175.29 173.56 1s7x s VAL 9 N -0.49 2.30 0.07 1.09 1.01 -1.26 -1.01 120.40 122.10 1s7x s VAL 9 Ca 0.06 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1s7x s VAL 9 Cb -0.11 -1.94 0.09 0.00 0.00 0.00 0.00 36.38 34.42 1s7x s VAL 9 CO 0.01 0.54 0.75 -0.72 0.00 0.00 0.00 175.10 175.67 1s7x s TYR 10 N 0.79 -0.44 0.26 5.22 1.13 -0.85 -4.57 117.35 118.89 1s7x s TYR 10 Ca -0.07 0.29 -0.05 0.00 -1.41 0.00 0.00 57.07 55.83 1s7x s TYR 10 Cb -0.16 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1s7x s TYR 10 CO -0.01 -0.68 0.52 -1.54 -2.51 0.00 0.00 175.55 171.33 1s7x s SER 11 N -2.57 6.45 0.09 -0.18 1.04 -1.26 0.12 113.70 117.40 1s7x s SER 11 Ca 0.03 0.67 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 1s7x s SER 11 Cb -0.01 -2.12 -0.11 0.00 0.10 0.00 0.00 66.02 63.87 1s7x s SER 11 CO -0.10 -0.15 1.37 -0.09 0.98 0.00 0.00 173.24 175.24 1s7x h ARG 12 N 1.85 0.72 -6.18 4.02 2.43 -1.54 -3.45 114.38 112.23 1s7x h ARG 12 Ca -0.48 -0.45 -0.53 0.00 -0.81 0.00 0.00 59.98 57.71 1s7x h ARG 12 Cb 1.19 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.72 1s7x h ARG 12 CO 0.67 1.07 -0.57 -1.01 -1.51 0.00 0.00 179.97 178.62 1s7x s HIS 13 N -4.11 2.83 0.00 2.20 3.76 -1.26 -5.04 115.29 113.68 1s7x s HIS 13 Ca -0.12 -0.23 -0.34 0.00 -0.15 0.00 0.00 55.06 54.22 1s7x s HIS 13 Cb 0.08 -1.39 -0.13 0.00 1.11 0.00 0.00 32.58 32.25 1s7x s HIS 13 CO 0.85 0.50 1.74 -2.30 -0.85 0.00 0.00 174.74 174.68 1s7x n PRO 14 N -1.07 2.08 -2.38 8.40 -0.02 -1.26 -4.91 135.00 135.85 1s7x n PRO 14 Ca -0.06 0.76 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 1s7x n PRO 14 Cb 0.59 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1s7x n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7x s PRO 15 N 2.71 4.25 -0.17 0.52 0.04 -1.26 -5.04 135.00 136.04 1s7x s PRO 15 Ca 0.87 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.64 1s7x s PRO 15 Cb -0.71 -2.81 0.07 0.00 0.04 0.00 0.00 34.50 31.09 1s7x s PRO 15 CO 0.47 -0.14 0.36 -2.00 0.04 0.00 0.00 177.00 175.73 1s7x s GLU 16 N -2.09 0.28 0.16 4.56 2.12 -1.26 -5.12 118.70 117.35 1s7x s GLU 16 Ca 0.53 0.86 -0.34 0.00 0.36 0.00 0.00 54.97 56.39 1s7x s GLU 16 Cb -0.30 0.12 -0.14 0.00 0.26 0.00 0.00 34.13 34.07 1s7x s GLU 16 CO 0.38 -0.23 1.53 0.09 -0.54 0.00 0.00 175.26 176.49 1s7x n ASN 17 N 5.03 2.86 0.00 -1.70 3.02 -1.26 -1.80 115.26 121.41 1s7x n ASN 17 Ca -0.13 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1s7x n ASN 17 Cb 0.51 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1s7x n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7x n GLY 18 N 3.19 1.58 3.61 7.41 0.00 -0.70 -5.00 105.19 115.28 1s7x n GLY 18 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1s7x n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7x s LYS 19 N -0.85 3.98 -0.06 1.61 1.02 -0.75 -4.98 119.74 119.71 1s7x s LYS 19 Ca 0.00 -0.31 -0.39 0.00 0.02 0.00 0.00 55.97 55.29 1s7x s LYS 19 Cb 0.00 -3.61 -0.17 0.00 -0.52 0.00 0.00 37.83 33.53 1s7x s LYS 19 CO 0.00 -0.10 1.43 -2.30 -0.92 0.00 0.00 175.35 173.46 1s7x n PRO 20 N 4.81 0.92 -3.45 -1.68 -0.02 -1.26 -4.33 135.00 130.00 1s7x n PRO 20 Ca -0.14 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 1s7x n PRO 20 Cb 0.52 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 1s7x n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7x n ASN 21 N 3.28 -0.81 -4.16 2.55 2.85 -0.20 -5.02 115.26 113.75 1s7x n ASN 21 Ca 0.22 -2.47 -0.30 0.00 -0.11 0.00 0.00 54.58 51.92 1s7x n ASN 21 Cb 0.14 1.61 -0.17 0.00 1.24 0.00 0.00 39.78 42.61 1s7x n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7x s ILE 22 N -2.82 1.78 -0.21 -1.44 -1.09 -1.26 -2.33 121.20 113.83 1s7x s ILE 22 Ca 0.24 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.69 1s7x s ILE 22 Cb 0.00 -1.55 -0.05 0.00 -1.58 0.00 0.00 42.46 39.28 1s7x s ILE 22 CO 0.17 0.50 0.20 -0.22 -1.23 0.00 0.00 174.94 174.36 1s7x s LEU 23 N 0.45 4.17 0.00 2.97 2.96 0.02 -1.19 118.68 128.06 1s7x s LEU 23 Ca -0.17 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1s7x s LEU 23 Cb -0.17 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1s7x s LEU 23 CO 0.07 0.09 0.05 0.20 -1.32 0.00 0.00 176.35 175.44 1s7x s ASN 24 N 0.75 5.44 -0.24 3.68 0.01 0.12 -1.56 114.94 123.13 1s7x s ASN 24 Ca 0.11 0.07 -0.01 0.00 -0.71 0.00 0.00 52.86 52.31 1s7x s ASN 24 Cb -0.13 -1.50 0.07 0.00 0.41 0.00 0.00 41.25 40.11 1s7x s ASN 24 CO 0.03 0.27 0.04 0.00 -1.51 0.00 0.00 177.10 175.92 1s7x s TYR 26 N 1.68 3.23 -0.22 0.00 5.04 -0.18 -1.16 117.35 125.74 1s7x s TYR 26 Ca 0.02 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1s7x s TYR 26 Cb -0.18 -2.36 0.04 0.00 0.35 0.00 0.00 41.96 39.82 1s7x s TYR 26 CO -0.13 -0.12 -0.14 0.08 -1.34 0.00 0.00 175.55 173.89 1s7x s VAL 27 N 1.63 2.04 0.43 3.14 1.01 -0.52 -1.34 120.40 126.80 1s7x s VAL 27 Ca 0.07 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.80 1s7x s VAL 27 Cb -0.16 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1s7x s VAL 27 CO 0.10 0.21 0.04 0.42 0.00 0.00 0.00 175.10 175.86 1s7x s THR 28 N 1.22 1.27 -1.34 3.92 -4.23 -0.47 -1.22 115.64 114.79 1s7x s THR 28 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1s7x s THR 28 Cb -0.17 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1s7x s THR 28 CO -0.08 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.00 1s7x n GLN 29 N -1.03 -1.10 -4.26 3.99 3.00 -0.85 -1.46 117.38 115.67 1s7x n GLN 29 Ca -0.10 0.81 -0.27 0.00 -0.01 0.00 0.00 57.00 57.43 1s7x n GLN 29 Cb 0.67 -5.04 -0.09 0.00 0.00 0.00 0.00 30.24 25.78 1s7x n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1s7x s PHE 30 N -2.65 2.71 -0.28 1.08 -0.71 -1.10 -4.13 117.98 112.90 1s7x s PHE 30 Ca 0.00 -0.19 -0.20 0.00 -1.04 0.00 0.00 56.93 55.50 1s7x s PHE 30 Cb 0.00 -1.32 0.08 0.00 -1.21 0.00 0.00 43.02 40.56 1s7x s PHE 30 CO 0.00 0.51 0.72 -1.58 -1.34 0.00 0.00 175.22 173.53 1s7x s HIS 31 N -1.69 -0.91 0.99 3.49 2.46 -1.03 -1.79 115.29 116.82 1s7x s HIS 31 Ca 0.26 1.98 -0.15 0.00 0.47 0.00 0.00 55.06 57.61 1s7x s HIS 31 Cb -0.09 0.46 0.19 0.00 -0.13 0.00 0.00 32.58 33.01 1s7x s HIS 31 CO 0.16 -0.44 1.20 -1.25 -2.47 0.00 0.00 174.74 171.94 1s7x s PRO 32 N 1.02 0.44 0.20 2.88 0.04 -1.26 -1.49 135.00 136.83 1s7x s PRO 32 Ca -0.05 -0.08 0.24 0.00 0.04 0.00 0.00 61.00 61.15 1s7x s PRO 32 Cb -0.05 -1.79 0.91 0.00 0.04 0.00 0.00 34.50 33.61 1s7x s PRO 32 CO -0.10 -2.60 1.73 -0.35 0.04 0.00 0.00 177.00 175.72 1s7x n PRO 33 N -3.97 0.18 -2.12 0.56 -0.04 -1.26 -4.73 135.00 123.62 1s7x n PRO 33 Ca 0.12 0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 63.46 1s7x n PRO 33 Cb 0.60 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1s7x n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1s7x s HIS 34 N -3.19 3.20 -0.01 0.54 2.46 -1.26 -5.00 115.29 112.03 1s7x s HIS 34 Ca 0.08 0.91 -0.28 0.00 0.47 0.00 0.00 55.06 56.24 1s7x s HIS 34 Cb 0.11 -3.73 0.07 0.00 -0.13 0.00 0.00 32.58 28.89 1s7x s HIS 34 CO 0.46 -2.57 0.63 -1.50 -2.47 0.00 0.00 174.74 169.30 1s7x s ILE 35 N 0.95 0.01 -0.07 0.89 2.07 -1.26 -4.70 121.20 119.08 1s7x s ILE 35 Ca 0.65 -0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.89 1s7x s ILE 35 Cb -0.39 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.22 1s7x s ILE 35 CO 0.32 -0.03 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.48 1s7x s GLU 36 N -1.62 2.73 -0.07 3.50 2.02 -0.70 -5.02 118.70 119.54 1s7x s GLU 36 Ca -0.09 -0.88 -0.00 0.00 0.02 0.00 0.00 54.97 54.02 1s7x s GLU 36 Cb -0.00 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 32.01 1s7x s GLU 36 CO 0.06 0.33 -0.03 0.42 0.02 0.00 0.00 175.26 176.05 1s7x s ILE 37 N -0.02 0.60 -0.00 -1.63 1.01 -1.26 -1.27 121.20 118.62 1s7x s ILE 37 Ca -0.07 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1s7x s ILE 37 Cb -0.15 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 1s7x s ILE 37 CO 0.05 0.28 -0.21 -1.10 0.00 0.00 0.00 174.94 173.95 1s7x s GLN 38 N 1.55 2.13 -0.08 2.79 -0.21 -0.27 -5.00 119.66 120.57 1s7x s GLN 38 Ca -0.01 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 54.45 1s7x s GLN 38 Cb -0.13 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.71 1s7x s GLN 38 CO -0.04 0.56 -0.06 -1.64 -2.12 0.00 0.00 175.29 171.99 1s7x s MET 39 N -0.95 2.92 0.07 2.91 -1.94 -1.26 -0.89 119.30 120.16 1s7x s MET 39 Ca 0.12 -0.54 0.07 0.00 -1.71 0.00 0.00 55.69 53.62 1s7x s MET 39 Cb -0.10 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1s7x s MET 39 CO 0.01 0.59 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.91 1s7x s LEU 40 N -0.59 2.23 -0.17 -0.03 1.43 -0.49 -0.57 118.68 120.50 1s7x s LEU 40 Ca 0.09 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1s7x s LEU 40 Cb -0.12 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.34 1s7x s LEU 40 CO 0.02 0.06 -0.09 -0.75 0.23 0.00 0.00 176.35 175.82 1s7x s LYS 41 N -1.53 1.85 -1.55 1.70 2.20 0.91 -2.19 119.74 121.13 1s7x s LYS 41 Ca 0.04 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 54.92 1s7x s LYS 41 Cb -0.09 -2.12 0.09 0.00 -1.51 0.00 0.00 37.83 34.20 1s7x s LYS 41 CO 0.03 -0.37 0.87 0.09 -0.36 0.00 0.00 175.35 175.61 1s7x n ASN 42 N 4.79 -3.75 0.00 1.43 3.02 -0.13 -1.00 115.26 119.62 1s7x n ASN 42 Ca -0.14 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1s7x n ASN 42 Cb 0.48 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 1s7x n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7x n GLY 43 N -1.63 0.68 3.53 7.41 0.00 -1.26 -5.02 105.19 108.90 1s7x n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1s7x n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7x s LYS 44 N -0.04 3.31 0.05 1.61 2.20 -0.17 -5.05 119.74 121.64 1s7x s LYS 44 Ca 0.00 -0.53 -0.33 0.00 -0.36 0.00 0.00 55.97 54.75 1s7x s LYS 44 Cb 0.00 -2.79 -0.12 0.00 -1.51 0.00 0.00 37.83 33.41 1s7x s LYS 44 CO 0.00 0.41 1.77 1.17 -0.36 0.00 0.00 175.35 178.35 1s7x n LYS 45 N 2.99 2.33 -2.56 4.03 4.81 -1.26 -0.06 118.16 128.45 1s7x n LYS 45 Ca -0.18 0.85 -0.43 0.00 -0.87 0.00 0.00 58.31 57.68 1s7x n LYS 45 Cb 0.53 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.87 1s7x n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s7x s ILE 46 N 2.70 4.51 0.33 3.15 1.01 0.27 -4.85 121.20 128.32 1s7x s ILE 46 Ca 0.85 1.82 0.14 0.00 0.00 0.00 0.00 60.65 63.46 1s7x s ILE 46 Cb -0.63 -4.17 0.09 0.00 0.01 0.00 0.00 42.46 37.75 1s7x s ILE 46 CO 0.43 -0.16 1.80 1.55 0.00 0.00 0.00 174.94 178.56 1s7x h PRO 47 N 7.77 0.00 -3.20 2.79 0.13 -1.92 -3.39 132.00 134.18 1s7x h PRO 47 Ca -0.22 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.27 1s7x h PRO 47 Cb 1.08 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.80 1s7x h PRO 47 CO 0.97 0.40 -0.55 0.15 -0.23 0.00 0.00 178.00 178.74 1s7x s LYS 48 N -4.02 2.39 -0.20 0.86 1.02 -1.26 -5.04 119.74 113.49 1s7x s LYS 48 Ca -0.02 -3.11 -0.04 0.00 0.02 0.00 0.00 55.97 52.82 1s7x s LYS 48 Cb 0.14 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1s7x s LYS 48 CO 0.72 -1.23 -0.04 0.08 -0.92 0.00 0.00 175.35 173.96 1s7x s VAL 49 N -1.08 3.59 0.12 3.17 1.01 -1.26 -4.73 120.40 121.22 1s7x s VAL 49 Ca 0.23 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1s7x s VAL 49 Cb -0.11 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1s7x s VAL 49 CO -0.11 0.44 0.90 -1.61 0.00 0.00 0.00 175.10 174.72 1s7x s GLU 50 N 1.08 4.67 -0.13 2.72 0.41 -0.36 -4.90 118.70 122.20 1s7x s GLU 50 Ca 0.01 1.36 0.01 0.00 -0.41 0.00 0.00 54.97 55.94 1s7x s GLU 50 Cb -0.15 -3.35 0.02 0.00 -1.78 0.00 0.00 34.13 28.87 1s7x s GLU 50 CO 0.00 0.31 -0.15 1.41 -0.49 0.00 0.00 175.26 176.34 1s7x s MET 51 N -0.31 2.31 0.95 1.61 1.75 -1.26 -1.18 119.30 123.17 1s7x s MET 51 Ca 0.43 -0.58 -0.12 0.00 -1.25 0.00 0.00 55.69 54.17 1s7x s MET 51 Cb -0.23 -2.01 0.16 0.00 2.84 0.00 0.00 34.83 35.59 1s7x s MET 51 CO 0.29 -0.12 1.10 -1.54 -0.65 0.00 0.00 175.02 174.09 1s7x s SER 52 N 1.15 3.05 0.65 1.11 1.04 -0.75 -5.03 113.70 114.92 1s7x s SER 52 Ca -0.03 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 1s7x s SER 52 Cb -0.14 -1.95 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1s7x s SER 52 CO -0.05 -2.88 1.05 -1.81 0.98 0.00 0.00 173.24 170.54 1s7x s ASP 53 N -3.50 5.95 0.03 7.02 1.01 -1.26 -4.79 116.67 121.12 1s7x s ASP 53 Ca 0.64 1.35 -0.30 0.00 0.71 0.00 0.00 52.55 54.95 1s7x s ASP 53 Cb -0.18 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 1s7x s ASP 53 CO 0.57 -1.04 1.90 -0.32 0.21 0.00 0.00 175.17 176.49 1s7x s MET 54 N -5.22 4.15 0.25 8.23 -2.45 -1.26 -4.86 119.30 118.13 1s7x s MET 54 Ca 0.56 2.54 0.06 0.00 -1.25 0.00 0.00 55.69 57.60 1s7x s MET 54 Cb -0.11 -4.09 -0.05 0.00 1.25 0.00 0.00 34.83 31.82 1s7x s MET 54 CO 0.53 -0.93 -0.07 -1.12 1.05 0.00 0.00 175.02 174.48 1s7x s SER 55 N 4.13 2.51 0.08 1.11 0.01 -1.23 -5.06 113.70 115.24 1s7x s SER 55 Ca 0.85 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1s7x s SER 55 Cb -0.41 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1s7x s SER 55 CO 0.39 -0.33 -0.07 0.72 0.41 0.00 0.00 173.24 174.37 1s7x s PHE 56 N -3.09 0.80 0.47 2.43 -0.12 -1.26 -1.68 117.98 115.53 1s7x s PHE 56 Ca 0.27 -0.82 0.08 0.00 -0.05 0.00 0.00 56.93 56.41 1s7x s PHE 56 Cb 0.03 -0.47 0.03 0.00 -0.63 0.00 0.00 43.02 41.98 1s7x s PHE 56 CO 0.09 -0.15 0.65 -1.12 -0.05 0.00 0.00 175.22 174.64 1s7x s SER 57 N -2.66 5.47 0.16 1.98 0.01 0.10 -4.96 113.70 113.80 1s7x s SER 57 Ca 0.06 -0.50 0.18 0.00 1.31 0.00 0.00 55.95 56.99 1s7x s SER 57 Cb 0.02 -0.42 0.79 0.00 0.21 0.00 0.00 66.02 66.62 1s7x s SER 57 CO -0.04 -0.95 1.55 2.29 0.41 0.00 0.00 173.24 176.50 1s7x n LYS 58 N -2.00 0.11 -0.11 12.44 2.85 -1.26 -0.58 118.16 129.61 1s7x n LYS 58 Ca 0.10 0.41 0.08 0.00 -1.05 0.00 0.00 58.31 57.85 1s7x n LYS 58 Cb 0.60 -1.73 0.28 0.00 -0.65 0.00 0.00 35.03 33.53 1s7x n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1s7x n ASP 59 N -1.93 1.58 0.00 -5.58 5.68 -1.26 -4.93 116.55 110.10 1s7x n ASP 59 Ca 0.02 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1s7x n ASP 59 Cb 0.16 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1s7x n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7x n TRP 60 N 0.30 0.00 -2.74 2.11 7.02 0.26 -5.04 117.44 119.35 1s7x n TRP 60 Ca 0.14 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.28 1s7x n TRP 60 Cb 0.29 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.11 1s7x n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7x s SER 61 N -2.87 6.80 0.29 -0.99 1.04 -1.26 -4.65 113.70 112.05 1s7x s SER 61 Ca 0.00 1.74 -0.06 0.00 0.48 0.00 0.00 55.95 58.11 1s7x s SER 61 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1s7x s SER 61 CO 0.00 -0.46 0.57 -0.36 0.98 0.00 0.00 173.24 173.97 1s7x s PHE 62 N -2.15 3.47 0.15 5.02 0.08 -0.74 -0.72 117.98 123.08 1s7x s PHE 62 Ca 0.63 0.70 -0.07 0.00 0.12 0.00 0.00 56.93 58.31 1s7x s PHE 62 Cb -0.11 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1s7x s PHE 62 CO 0.15 0.17 0.21 1.52 -0.10 0.00 0.00 175.22 177.17 1s7x s TYR 63 N -2.06 0.51 -0.28 0.36 1.13 -0.68 -2.02 117.35 114.31 1s7x s TYR 63 Ca 0.45 -0.89 -0.16 0.00 -1.41 0.00 0.00 57.07 55.06 1s7x s TYR 63 Cb -0.11 -0.18 0.11 0.00 -1.10 0.00 0.00 41.96 40.68 1s7x s TYR 63 CO 0.29 -0.65 0.81 0.42 -2.51 0.00 0.00 175.55 173.91 1s7x s ILE 64 N -3.98 0.00 -0.27 -3.49 -1.09 -0.36 -3.51 121.20 108.50 1s7x s ILE 64 Ca 0.18 0.00 -0.07 0.00 -2.23 0.00 0.00 60.65 58.53 1s7x s ILE 64 Cb 0.05 -1.00 -0.01 0.00 -1.58 0.00 0.00 42.46 39.92 1s7x s ILE 64 CO -0.00 0.00 0.08 -0.22 -1.23 0.00 0.00 174.94 173.56 1s7x s LEU 65 N 1.49 3.64 0.03 2.97 2.96 -1.26 -1.43 118.68 127.08 1s7x s LEU 65 Ca -0.09 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1s7x s LEU 65 Cb -0.04 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1s7x s LEU 65 CO -0.18 -0.12 0.25 0.00 -1.32 0.00 0.00 176.35 174.99 1s7x s ALA 66 N 1.56 3.90 0.09 5.97 0.00 -0.31 -1.80 121.76 131.17 1s7x s ALA 66 Ca 0.05 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 1s7x s ALA 66 Cb -0.16 -1.98 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1s7x s ALA 66 CO 0.03 0.72 0.49 -3.38 0.00 0.00 0.00 175.76 173.62 1s7x s HIS 67 N -1.40 -0.37 -0.06 0.00 -0.00 -0.32 -0.60 115.29 112.53 1s7x s HIS 67 Ca 0.31 0.26 -0.29 0.00 -0.00 0.00 0.00 55.06 55.34 1s7x s HIS 67 Cb -0.13 0.35 0.06 0.00 -0.00 0.00 0.00 32.58 32.87 1s7x s HIS 67 CO 0.21 -0.70 0.64 -0.08 -0.00 0.00 0.00 174.74 174.81 1s7x s THR 68 N -3.12 0.01 0.39 -5.38 -1.32 -0.60 -1.22 115.64 104.40 1s7x s THR 68 Ca -0.02 -0.05 -0.26 0.00 -1.21 0.00 0.00 61.69 60.15 1s7x s THR 68 Cb 0.00 -0.95 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 1s7x s THR 68 CO -0.07 -0.03 1.26 -1.61 -2.21 0.00 0.00 174.62 171.96 1s7x s GLU 69 N -1.09 4.06 -0.08 7.08 2.02 -1.26 -0.80 118.70 128.63 1s7x s GLU 69 Ca -0.10 2.07 -0.30 0.00 0.02 0.00 0.00 54.97 56.66 1s7x s GLU 69 Cb -0.01 -2.79 0.11 0.00 0.10 0.00 0.00 34.13 31.53 1s7x s GLU 69 CO 0.09 -0.38 0.88 -0.59 0.02 0.00 0.00 175.26 175.28 1s7x s PHE 70 N -1.28 -0.43 -0.29 1.61 -0.71 -0.98 -4.84 117.98 111.05 1s7x s PHE 70 Ca 0.55 0.61 0.02 0.00 -1.04 0.00 0.00 56.93 57.07 1s7x s PHE 70 Cb -0.36 0.47 0.08 0.00 -1.21 0.00 0.00 43.02 42.00 1s7x s PHE 70 CO 0.46 -0.48 0.00 0.99 -1.34 0.00 0.00 175.22 174.86 1s7x s THR 71 N -1.79 1.72 0.71 -4.49 2.01 -1.26 -1.03 115.64 111.51 1s7x s THR 71 Ca -0.02 -1.67 -0.16 0.00 0.31 0.00 0.00 61.69 60.15 1s7x s THR 71 Cb -0.01 -2.12 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1s7x s THR 71 CO -0.00 -0.37 1.21 -2.16 -0.69 0.00 0.00 174.62 172.61 1s7x s PRO 72 N 1.24 2.26 0.31 4.92 0.04 -1.26 -4.80 135.00 137.71 1s7x s PRO 72 Ca 0.02 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1s7x s PRO 72 Cb -0.19 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1s7x s PRO 72 CO -0.10 -1.75 0.33 0.95 0.04 0.00 0.00 177.00 176.47 1s7x s THR 73 N -1.91 0.00 0.42 1.26 -4.23 -1.26 -1.71 115.64 108.20 1s7x s THR 73 Ca 0.75 -1.84 0.21 0.00 -1.18 0.00 0.00 61.69 59.63 1s7x s THR 73 Cb -0.30 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.23 1s7x s THR 73 CO 0.44 0.00 2.00 -0.08 -0.54 0.00 0.00 174.62 176.44 1s7x h GLU 74 N 2.20 0.00 0.00 3.99 4.81 -1.98 -3.36 114.58 120.25 1s7x h GLU 74 Ca -0.28 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.67 1s7x h GLU 74 Cb 1.24 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 1s7x h GLU 74 CO 0.40 0.18 -2.08 2.41 -0.73 0.00 0.00 179.01 179.19 1s7x n THR 75 N -3.95 1.08 -2.50 0.32 -1.04 -1.26 -4.98 114.28 101.96 1s7x n THR 75 Ca -0.02 -0.55 -0.41 0.00 -2.04 0.00 0.00 64.05 61.03 1s7x n THR 75 Cb 0.27 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.87 1s7x n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7x s ASP 76 N -5.34 7.26 -0.10 8.00 1.01 -1.26 -5.03 116.67 121.20 1s7x s ASP 76 Ca -0.16 2.13 -0.01 0.00 0.71 0.00 0.00 52.55 55.23 1s7x s ASP 76 Cb 0.06 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1s7x s ASP 76 CO 0.55 -0.21 -0.07 0.42 0.21 0.00 0.00 175.17 176.06 1s7x s THR 77 N -0.41 3.61 0.05 -1.27 -4.23 -1.26 -4.72 115.64 107.41 1s7x s THR 77 Ca 0.49 -0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1s7x s THR 77 Cb -0.30 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 1s7x s THR 77 CO 0.36 0.55 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.52 1s7x s TYR 78 N -0.24 2.60 0.10 3.99 1.51 -1.26 -0.96 117.35 123.09 1s7x s TYR 78 Ca 0.03 -0.23 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1s7x s TYR 78 Cb -0.13 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1s7x s TYR 78 CO 0.03 0.29 0.22 0.00 -1.11 0.00 0.00 175.55 174.98 1s7x s ALA 79 N -0.98 -0.28 -0.06 3.71 0.00 -0.93 -0.86 121.76 122.36 1s7x s ALA 79 Ca 0.16 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1s7x s ALA 79 Cb -0.11 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 1s7x s ALA 79 CO 0.07 -0.53 -0.21 0.00 0.00 0.00 0.00 175.76 175.08 1s7x s ARG 81 N 0.04 2.91 -0.10 0.00 3.52 -0.07 -0.28 118.95 124.98 1s7x s ARG 81 Ca -0.07 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 1s7x s ARG 81 Cb -0.14 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1s7x s ARG 81 CO 0.04 0.14 -0.14 0.08 -0.81 0.00 0.00 175.30 174.61 1s7x s VAL 82 N 0.42 1.40 -0.14 7.11 1.01 0.10 -1.12 120.40 129.18 1s7x s VAL 82 Ca -0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1s7x s VAL 82 Cb -0.18 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1s7x s VAL 82 CO 0.07 0.42 -0.04 -0.75 0.00 0.00 0.00 175.10 174.80 1s7x s LYS 83 N 0.91 3.55 -0.12 2.72 2.20 -0.40 -1.16 119.74 127.44 1s7x s LYS 83 Ca -0.09 -0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 54.75 1s7x s LYS 83 Cb -0.15 -2.87 0.06 0.00 -1.51 0.00 0.00 37.83 33.35 1s7x s LYS 83 CO 0.00 0.31 0.61 -1.58 -0.36 0.00 0.00 175.35 174.33 1s7x s HIS 84 N 0.18 -0.61 0.65 4.03 2.46 -1.26 -1.71 115.29 119.03 1s7x s HIS 84 Ca -0.02 1.24 0.39 0.00 0.47 0.00 0.00 55.06 57.14 1s7x s HIS 84 Cb -0.14 0.30 2.20 0.00 -0.13 0.00 0.00 32.58 34.81 1s7x s HIS 84 CO 0.03 -0.47 2.30 -0.44 -2.47 0.00 0.00 174.74 173.69 1s7x h ASP 85 N 3.96 0.00 0.87 9.88 3.32 -1.93 -1.45 116.42 131.07 1s7x h ASP 85 Ca -0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1s7x h ASP 85 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1s7x h ASP 85 CO 0.28 0.00 -0.06 0.77 -1.72 0.00 0.00 179.24 178.51 1s7x h SER 86 N 0.00 0.00 -3.54 6.45 4.64 -1.88 -3.43 113.55 115.79 1s7x h SER 86 Ca 0.01 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.65 1s7x h SER 86 Cb 0.08 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.99 1s7x h SER 86 CO -0.00 0.06 -0.67 -0.04 -0.87 0.00 0.00 176.83 175.31 1s7x s MET 87 N -3.75 2.90 0.17 4.77 -1.94 -0.55 -4.94 119.30 115.96 1s7x s MET 87 Ca 0.00 -0.51 -0.10 0.00 -1.71 0.00 0.00 55.69 53.37 1s7x s MET 87 Cb 0.10 -2.68 0.04 0.00 2.01 0.00 0.00 34.83 34.30 1s7x s MET 87 CO 0.56 0.64 1.61 0.00 -0.01 0.00 0.00 175.02 177.82 1s7x h ALA 88 N 5.36 0.75 -2.19 3.03 0.00 -1.84 -3.44 119.26 120.92 1s7x h ALA 88 Ca -0.48 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.54 1s7x h ALA 88 Cb 1.18 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1s7x h ALA 88 CO 0.54 0.60 -0.75 -1.21 0.00 0.00 0.00 179.25 178.42 1s7x s GLU 89 N -4.98 1.63 0.54 0.00 0.41 -1.26 -5.10 118.70 109.95 1s7x s GLU 89 Ca -0.12 -1.75 -0.20 0.00 -0.41 0.00 0.00 54.97 52.49 1s7x s GLU 89 Cb 0.13 -1.66 -0.08 0.00 -1.78 0.00 0.00 34.13 30.74 1s7x s GLU 89 CO 0.85 0.29 0.88 -2.30 -0.49 0.00 0.00 175.26 174.49 1s7x n PRO 90 N -0.59 0.96 -4.54 0.39 -0.02 -1.26 -4.86 135.00 125.07 1s7x n PRO 90 Ca -0.05 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 1s7x n PRO 90 Cb 0.60 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 1s7x n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s7x s LYS 91 N -2.36 3.23 -0.16 -0.52 2.20 -0.31 -4.93 119.74 116.89 1s7x s LYS 91 Ca 0.70 -0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 1s7x s LYS 91 Cb -0.47 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1s7x s LYS 91 CO 0.52 0.43 -0.09 0.99 -0.36 0.00 0.00 175.35 176.84 1s7x s THR 92 N -0.18 3.23 -0.05 3.43 2.01 -1.26 0.01 115.64 122.84 1s7x s THR 92 Ca 0.03 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1s7x s THR 92 Cb -0.13 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1s7x s THR 92 CO 0.03 0.49 -0.22 0.68 -0.69 0.00 0.00 174.62 174.91 1s7x s VAL 93 N 0.73 2.41 0.11 3.82 -7.23 0.61 -4.95 120.40 115.90 1s7x s VAL 93 Ca -0.04 -0.96 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 1s7x s VAL 93 Cb -0.15 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 1s7x s VAL 93 CO 0.02 0.58 0.51 -0.31 -0.31 0.00 0.00 175.10 175.58 1s7x s TYR 94 N -0.44 3.63 0.15 2.82 2.02 -1.26 -0.74 117.35 123.53 1s7x s TYR 94 Ca 0.05 1.02 -0.31 0.00 -0.37 0.00 0.00 57.07 57.46 1s7x s TYR 94 Cb -0.12 -2.33 -0.08 0.00 -0.40 0.00 0.00 41.96 39.03 1s7x s TYR 94 CO 0.01 0.48 1.34 -0.46 -1.57 0.00 0.00 175.55 175.35 1s7x s TRP 95 N -1.38 3.27 -0.19 2.71 -0.00 -0.04 -4.88 118.94 118.43 1s7x s TRP 95 Ca 0.35 1.10 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 1s7x s TRP 95 Cb -0.15 -3.62 0.02 0.00 -0.00 0.00 0.00 33.47 29.71 1s7x s TRP 95 CO 0.18 -2.06 -0.17 0.34 -0.00 0.00 0.00 176.95 175.24 1s7x s ASP 96 N 0.75 3.38 0.50 5.86 -1.08 -1.26 -4.79 116.67 120.02 1s7x s ASP 96 Ca 0.60 -0.63 0.33 0.00 -0.52 0.00 0.00 52.55 52.34 1s7x s ASP 96 Cb -0.36 -1.53 1.62 0.00 -1.46 0.00 0.00 42.92 41.20 1s7x s ASP 96 CO 0.34 -0.01 2.01 0.08 0.52 0.00 0.00 175.17 178.10 1s7x h ARG 97 N 7.96 0.00 -0.01 4.34 0.11 -1.95 -2.83 114.38 122.01 1s7x h ARG 97 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1s7x h ARG 97 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1s7x h ARG 97 CO 0.63 0.00 -0.71 -0.25 0.10 0.00 0.00 179.97 179.74 1s7x n ASP 98 N -2.78 1.40 0.00 0.08 8.00 -1.26 -4.79 116.55 117.19 1s7x n ASP 98 Ca -0.01 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1s7x n ASP 98 Cb 0.16 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1s7x n ASP 98 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96