#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 4.55 -0.19 9.51 -0.21 -1.26 -4.62 119.66 127.44 1s7x s GLN 2 Ca 0.00 1.22 -0.03 0.00 0.02 0.00 0.00 55.36 56.57 1s7x s GLN 2 Cb 0.00 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 1s7x s GLN 2 CO 0.00 0.11 -0.07 0.15 -2.12 0.00 0.00 175.29 173.36 1s7x s LYS 3 N 0.49 3.40 0.07 2.91 1.02 -0.72 -4.92 119.74 122.00 1s7x s LYS 3 Ca 0.44 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.51 1s7x s LYS 3 Cb -0.21 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1s7x s LYS 3 CO 0.25 -0.04 0.94 0.95 -0.92 0.00 0.00 175.35 176.53 1s7x s THR 4 N 1.04 4.63 0.15 2.17 -4.23 -1.26 -1.84 115.64 116.30 1s7x s THR 4 Ca 0.00 2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 62.20 1s7x s THR 4 Cb -0.15 -4.29 -0.10 0.00 1.34 0.00 0.00 72.50 69.30 1s7x s THR 4 CO -0.01 0.28 1.62 -2.16 -0.54 0.00 0.00 174.62 173.82 1s7x s PRO 5 N 0.26 4.20 0.04 3.99 0.04 -1.26 -4.61 135.00 137.65 1s7x s PRO 5 Ca 0.47 2.40 -0.20 0.00 0.04 0.00 0.00 61.00 63.71 1s7x s PRO 5 Cb -0.22 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.01 1s7x s PRO 5 CO 0.28 -0.66 0.60 -0.65 0.04 0.00 0.00 177.00 176.61 1s7x s GLN 6 N 1.50 4.28 -0.05 4.56 -1.52 -0.51 -4.93 119.66 122.99 1s7x s GLN 6 Ca 0.72 0.77 0.02 0.00 -1.95 0.00 0.00 55.36 54.92 1s7x s GLN 6 Cb -0.44 -3.29 0.01 0.00 -0.22 0.00 0.00 33.01 29.07 1s7x s GLN 6 CO 0.32 0.51 -0.09 0.42 -0.25 0.00 0.00 175.29 176.19 1s7x s ILE 7 N -0.69 0.87 -0.06 1.08 1.01 -1.26 -1.18 121.20 120.98 1s7x s ILE 7 Ca 0.30 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1s7x s ILE 7 Cb -0.19 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1s7x s ILE 7 CO 0.19 0.29 -0.09 -1.10 0.00 0.00 0.00 174.94 174.22 1s7x s GLN 8 N 0.54 1.37 -0.19 2.79 -0.21 -0.64 -5.01 119.66 118.31 1s7x s GLN 8 Ca -0.10 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 54.98 1s7x s GLN 8 Cb -0.13 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.69 1s7x s GLN 8 CO 0.02 -0.02 -0.13 0.08 -2.12 0.00 0.00 175.29 173.11 1s7x s VAL 9 N 0.78 2.64 0.04 1.09 1.01 -1.26 -1.16 120.40 123.53 1s7x s VAL 9 Ca -0.13 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1s7x s VAL 9 Cb -0.15 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1s7x s VAL 9 CO 0.02 0.49 0.57 -0.72 0.00 0.00 0.00 175.10 175.47 1s7x s TYR 10 N 1.28 -0.50 0.27 5.22 1.13 -0.33 -4.45 117.35 119.96 1s7x s TYR 10 Ca 0.04 0.63 -0.17 0.00 -1.41 0.00 0.00 57.07 56.15 1s7x s TYR 10 Cb -0.14 0.39 -0.09 0.00 -1.10 0.00 0.00 41.96 41.03 1s7x s TYR 10 CO -0.07 -0.66 0.73 -1.54 -2.51 0.00 0.00 175.55 171.50 1s7x s SER 11 N -1.86 6.92 0.16 -0.18 1.04 -1.26 0.50 113.70 119.02 1s7x s SER 11 Ca -0.06 1.36 -0.13 0.00 0.48 0.00 0.00 55.95 57.60 1s7x s SER 11 Cb -0.01 -2.40 0.05 0.00 0.10 0.00 0.00 66.02 63.77 1s7x s SER 11 CO -0.00 -0.08 1.70 -0.09 0.98 0.00 0.00 173.24 175.75 1s7x h ARG 12 N 2.85 0.84 -6.15 4.02 2.43 -0.93 -3.44 114.38 114.00 1s7x h ARG 12 Ca -0.48 -0.17 -0.50 0.00 -0.81 0.00 0.00 59.98 58.02 1s7x h ARG 12 Cb 1.18 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1s7x h ARG 12 CO 0.65 0.75 -0.41 -1.01 -1.51 0.00 0.00 179.97 178.44 1s7x s HIS 13 N -5.47 2.74 0.18 2.20 3.76 -1.26 -5.05 115.29 112.39 1s7x s HIS 13 Ca -0.13 -0.46 -0.32 0.00 -0.15 0.00 0.00 55.06 54.01 1s7x s HIS 13 Cb 0.12 -2.05 -0.11 0.00 1.11 0.00 0.00 32.58 31.66 1s7x s HIS 13 CO 0.79 -0.01 1.67 -2.14 -0.85 0.00 0.00 174.74 174.20 1s7x s PRO 14 N -4.07 4.16 0.09 8.40 0.02 -1.26 -4.96 135.00 137.38 1s7x s PRO 14 Ca 0.45 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.67 1s7x s PRO 14 Cb -0.03 -3.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 1s7x s PRO 14 CO 0.27 -0.70 1.10 -1.25 -0.33 0.00 0.00 177.00 176.09 1s7x s PRO 15 N 1.33 4.53 -0.05 5.54 0.04 -1.26 -5.04 135.00 140.08 1s7x s PRO 15 Ca 0.73 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 1s7x s PRO 15 Cb -0.47 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 30.75 1s7x s PRO 15 CO 0.32 -0.08 0.11 -1.21 0.04 0.00 0.00 177.00 176.18 1s7x s GLU 16 N 0.56 0.05 0.43 4.56 2.02 -1.26 -5.12 118.70 119.94 1s7x s GLU 16 Ca 0.54 0.31 -0.25 0.00 0.02 0.00 0.00 54.97 55.59 1s7x s GLU 16 Cb -0.27 -0.20 -0.08 0.00 0.10 0.00 0.00 34.13 33.68 1s7x s GLU 16 CO 0.31 -0.17 1.31 -0.80 0.02 0.00 0.00 175.26 175.93 1s7x s ASN 17 N 1.13 6.12 0.00 -0.19 0.01 -1.26 -2.43 114.94 118.32 1s7x s ASN 17 Ca -0.09 2.67 0.00 0.00 -0.71 0.00 0.00 52.86 54.73 1s7x s ASN 17 Cb -0.12 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1s7x s ASN 17 CO -0.05 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1s7x n GLY 18 N 0.64 0.61 2.97 0.66 0.00 -0.88 -4.99 105.19 104.20 1s7x n GLY 18 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 1.92 0.33 1.61 1.02 -1.02 -5.01 119.74 118.44 1s7x s LYS 19 Ca 0.00 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1s7x s LYS 19 Cb 0.00 -1.82 -0.12 0.00 -0.52 0.00 0.00 37.83 35.37 1s7x s LYS 19 CO 0.00 -0.22 1.48 -2.30 -0.92 0.00 0.00 175.35 173.39 1s7x n PRO 20 N 4.75 2.52 -4.07 -1.68 -0.02 -1.26 -4.26 135.00 130.97 1s7x n PRO 20 Ca -0.15 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1s7x n PRO 20 Cb 0.50 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1s7x n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1s7x s ASN 21 N 0.10 0.59 -0.11 2.55 3.84 0.31 -5.01 114.94 117.21 1s7x s ASN 21 Ca 0.59 -1.34 0.02 0.00 0.21 0.00 0.00 52.86 52.35 1s7x s ASN 21 Cb -0.52 0.62 0.01 0.00 -0.55 0.00 0.00 41.25 40.81 1s7x s ASN 21 CO 0.57 -1.23 -0.19 -0.63 -2.79 0.00 0.00 177.10 172.84 1s7x s ILE 22 N -3.37 1.74 -0.17 -5.21 1.01 -1.26 -1.31 121.20 112.63 1s7x s ILE 22 Ca 0.29 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 1s7x s ILE 22 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1s7x s ILE 22 CO 0.17 0.49 0.34 -0.22 0.00 0.00 0.00 174.94 175.71 1s7x s LEU 23 N 0.79 4.22 -0.10 2.97 2.96 -0.08 -0.17 118.68 129.28 1s7x s LEU 23 Ca -0.10 0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1s7x s LEU 23 Cb -0.16 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1s7x s LEU 23 CO 0.01 0.05 0.06 0.20 -1.32 0.00 0.00 176.35 175.34 1s7x s ASN 24 N 0.64 5.72 -0.28 3.68 0.01 0.18 -1.61 114.94 123.26 1s7x s ASN 24 Ca 0.18 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 1s7x s ASN 24 Cb -0.14 -1.72 0.06 0.00 0.41 0.00 0.00 41.25 39.86 1s7x s ASN 24 CO 0.06 0.39 -0.05 0.00 -1.51 0.00 0.00 177.10 175.99 1s7x s TYR 26 N 1.15 3.14 -0.19 0.00 5.04 -0.31 -0.52 117.35 125.66 1s7x s TYR 26 Ca -0.06 -0.44 0.01 0.00 -2.44 0.00 0.00 57.07 54.15 1s7x s TYR 26 Cb -0.20 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 39.84 1s7x s TYR 26 CO -0.04 -0.38 -0.19 0.08 -1.34 0.00 0.00 175.55 173.68 1s7x s VAL 27 N 1.63 2.07 0.27 3.14 1.01 -0.24 -1.62 120.40 126.65 1s7x s VAL 27 Ca 0.06 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.06 1s7x s VAL 27 Cb -0.16 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 1s7x s VAL 27 CO 0.05 0.48 0.01 0.42 0.00 0.00 0.00 175.10 176.06 1s7x s THR 28 N 1.27 1.18 -0.98 3.92 -4.23 -0.33 -1.11 115.64 115.37 1s7x s THR 28 Ca 0.03 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1s7x s THR 28 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1s7x s THR 28 CO -0.12 -0.22 0.00 1.67 -0.54 0.00 0.00 174.62 175.41 1s7x n GLN 29 N -0.52 -0.83 -4.24 3.99 -0.06 -0.34 -1.43 117.38 113.94 1s7x n GLN 29 Ca -0.04 0.62 -0.27 0.00 -2.00 0.00 0.00 57.00 55.31 1s7x n GLN 29 Cb 0.65 -4.68 -0.09 0.00 -4.06 0.00 0.00 30.24 22.06 1s7x n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1s7x s PHE 30 N -2.50 2.74 -0.23 3.69 -0.71 -1.20 -4.21 117.98 115.56 1s7x s PHE 30 Ca 0.00 -0.17 -0.22 0.00 -1.04 0.00 0.00 56.93 55.50 1s7x s PHE 30 Cb 0.00 -1.35 0.06 0.00 -1.21 0.00 0.00 43.02 40.52 1s7x s PHE 30 CO 0.00 0.50 0.63 -1.58 -1.34 0.00 0.00 175.22 173.43 1s7x s HIS 31 N -1.63 -0.69 1.07 3.49 2.46 -0.77 -2.80 115.29 116.43 1s7x s HIS 31 Ca 0.25 1.68 -0.17 0.00 0.47 0.00 0.00 55.06 57.29 1s7x s HIS 31 Cb -0.09 0.24 0.23 0.00 -0.13 0.00 0.00 32.58 32.82 1s7x s HIS 31 CO 0.16 -0.33 1.17 -1.25 -2.47 0.00 0.00 174.74 172.02 1s7x s PRO 32 N 0.32 -0.19 0.26 2.88 0.04 -1.26 -1.75 135.00 135.31 1s7x s PRO 32 Ca -0.00 -0.04 0.25 0.00 0.04 0.00 0.00 61.00 61.25 1s7x s PRO 32 Cb -0.04 -1.71 0.94 0.00 0.04 0.00 0.00 34.50 33.72 1s7x s PRO 32 CO 0.01 -3.03 1.74 -1.00 0.04 0.00 0.00 177.00 174.76 1s7x h PRO 33 N -2.09 0.00 -6.36 0.56 0.13 -2.00 -3.44 132.00 118.79 1s7x h PRO 33 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 1s7x h PRO 33 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1s7x h PRO 33 CO 0.42 0.00 1.07 -1.58 -0.23 0.00 0.00 178.00 177.68 1s7x s HIS 34 N -3.27 2.08 0.09 1.56 2.46 -1.26 -4.97 115.29 111.97 1s7x s HIS 34 Ca 0.06 0.15 -0.16 0.00 0.47 0.00 0.00 55.06 55.58 1s7x s HIS 34 Cb 0.10 -3.99 0.03 0.00 -0.13 0.00 0.00 32.58 28.60 1s7x s HIS 34 CO 0.47 -4.11 0.38 -1.50 -2.47 0.00 0.00 174.74 167.51 1s7x s ILE 35 N 3.46 0.07 -0.10 0.89 2.07 -1.26 -4.70 121.20 121.62 1s7x s ILE 35 Ca 0.76 -0.59 -0.01 0.00 -1.41 0.00 0.00 60.65 59.40 1s7x s ILE 35 Cb -0.38 -1.09 0.03 0.00 0.13 0.00 0.00 42.46 41.15 1s7x s ILE 35 CO 0.33 -0.32 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.40 1s7x s GLU 36 N -3.30 0.91 0.04 3.50 2.02 -0.69 -4.99 118.70 116.19 1s7x s GLU 36 Ca -0.00 -0.08 0.08 0.00 0.02 0.00 0.00 54.97 54.99 1s7x s GLU 36 Cb 0.01 -1.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.89 1s7x s GLU 36 CO -0.08 -0.34 -0.22 0.42 0.02 0.00 0.00 175.26 175.06 1s7x s ILE 37 N 1.87 2.46 -0.25 -1.63 1.01 -1.26 -0.38 121.20 123.02 1s7x s ILE 37 Ca 0.04 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.23 1s7x s ILE 37 Cb -0.13 -2.00 0.07 0.00 0.01 0.00 0.00 42.46 40.41 1s7x s ILE 37 CO -0.06 0.36 0.64 0.00 0.00 0.00 0.00 174.94 175.88 1s7x s GLN 38 N -1.31 0.71 -0.17 2.79 -2.07 -0.97 -4.99 119.66 113.65 1s7x s GLN 38 Ca 0.13 1.03 -0.08 0.00 -1.82 0.00 0.00 55.36 54.62 1s7x s GLN 38 Cb -0.10 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1s7x s GLN 38 CO 0.03 -0.12 0.10 -1.64 -1.32 0.00 0.00 175.29 172.34 1s7x s MET 39 N 0.97 3.85 -0.06 9.60 -1.94 -1.26 -0.80 119.30 129.65 1s7x s MET 39 Ca -0.05 -0.26 -0.00 0.00 -1.71 0.00 0.00 55.69 53.67 1s7x s MET 39 Cb -0.05 -3.24 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 1s7x s MET 39 CO -0.09 0.43 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.82 1s7x s LEU 40 N -0.04 3.43 -0.25 -0.03 1.43 -0.47 -1.09 118.68 121.66 1s7x s LEU 40 Ca 0.08 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1s7x s LEU 40 Cb -0.12 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1s7x s LEU 40 CO 0.00 0.36 -0.08 -0.75 0.23 0.00 0.00 176.35 176.11 1s7x s LYS 41 N -0.98 2.68 -1.43 1.70 2.20 -0.42 -1.47 119.74 122.03 1s7x s LYS 41 Ca 0.14 -1.07 -0.08 0.00 -0.36 0.00 0.00 55.97 54.60 1s7x s LYS 41 Cb -0.11 -2.94 0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1s7x s LYS 41 CO 0.03 -0.44 0.62 0.09 -0.36 0.00 0.00 175.35 175.30 1s7x n ASN 42 N 4.61 -4.92 0.00 1.43 3.02 -0.23 -2.30 115.26 116.87 1s7x n ASN 42 Ca -0.16 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1s7x n ASN 42 Cb 0.46 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 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 -1.41 0.84 3.37 7.41 0.00 -1.26 -5.05 105.19 109.08 1s7x n GLY 43 Ca -0.05 0.00 -0.31 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 -0.48 2.00 0.17 1.61 2.20 -0.97 -5.03 119.74 119.24 1s7x s LYS 44 Ca 0.00 -1.00 -0.32 0.00 -0.36 0.00 0.00 55.97 54.28 1s7x s LYS 44 Cb 0.00 -2.07 -0.12 0.00 -1.51 0.00 0.00 37.83 34.13 1s7x s LYS 44 CO 0.00 0.54 1.73 1.17 -0.36 0.00 0.00 175.35 178.43 1s7x n LYS 45 N 1.95 2.66 -2.78 4.03 4.81 -1.26 -1.30 118.16 126.26 1s7x n LYS 45 Ca -0.17 0.96 -0.42 0.00 -0.87 0.00 0.00 58.31 57.82 1s7x n LYS 45 Cb 0.52 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 32.73 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 1.53 4.81 0.05 3.15 1.01 -0.25 -4.85 121.20 126.65 1s7x s ILE 46 Ca 0.78 1.83 -0.21 0.00 0.00 0.00 0.00 60.65 63.05 1s7x s ILE 46 Cb -0.53 -4.22 -0.13 0.00 0.01 0.00 0.00 42.46 37.58 1s7x s ILE 46 CO 0.35 -0.03 1.41 1.55 0.00 0.00 0.00 174.94 178.22 1s7x h PRO 47 N 7.30 0.32 -4.46 2.79 0.13 -1.93 -3.41 132.00 132.74 1s7x h PRO 47 Ca -0.27 -0.14 -0.73 0.00 -0.87 0.00 0.00 66.00 63.99 1s7x h PRO 47 Cb 1.12 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.02 1s7x h PRO 47 CO 0.87 0.63 0.37 0.15 -0.23 0.00 0.00 178.00 179.79 1s7x s LYS 48 N -4.61 3.47 -0.25 0.86 1.02 -1.26 -4.97 119.74 114.00 1s7x s LYS 48 Ca -0.14 -1.94 -0.00 0.00 0.02 0.00 0.00 55.97 53.91 1s7x s LYS 48 Cb 0.05 -4.57 0.07 0.00 -0.52 0.00 0.00 37.83 32.87 1s7x s LYS 48 CO 0.74 -1.52 0.01 0.08 -0.92 0.00 0.00 175.35 173.73 1s7x s VAL 49 N 1.67 1.16 0.33 3.17 1.01 -1.26 -4.63 120.40 121.84 1s7x s VAL 49 Ca 0.22 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1s7x s VAL 49 Cb -0.12 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 1s7x s VAL 49 CO -0.06 -0.29 1.15 -1.61 0.00 0.00 0.00 175.10 174.29 1s7x s GLU 50 N 1.54 4.41 -0.05 2.72 0.41 0.16 -4.89 118.70 122.99 1s7x s GLU 50 Ca -0.00 1.85 -0.00 0.00 -0.41 0.00 0.00 54.97 56.41 1s7x s GLU 50 Cb -0.18 -2.98 0.03 0.00 -1.78 0.00 0.00 34.13 29.21 1s7x s GLU 50 CO -0.11 -0.02 -0.01 1.41 -0.49 0.00 0.00 175.26 176.05 1s7x s MET 51 N -1.81 0.56 0.81 1.61 1.75 -1.26 -1.21 119.30 119.75 1s7x s MET 51 Ca 0.50 0.06 -0.12 0.00 -1.25 0.00 0.00 55.69 54.88 1s7x s MET 51 Cb -0.32 -0.82 0.08 0.00 2.84 0.00 0.00 34.83 36.61 1s7x s MET 51 CO 0.41 -0.22 1.11 -1.54 -0.65 0.00 0.00 175.02 174.13 1s7x s SER 52 N 1.53 4.42 0.61 1.11 1.04 -0.79 -5.03 113.70 116.59 1s7x s SER 52 Ca -0.02 1.21 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 1s7x s SER 52 Cb -0.13 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 1s7x s SER 52 CO -0.03 -2.00 1.05 -1.81 0.98 0.00 0.00 173.24 171.42 1s7x s ASP 53 N -4.00 5.80 0.04 7.02 1.01 -1.26 -4.79 116.67 120.49 1s7x s ASP 53 Ca 0.61 1.71 -0.31 0.00 0.71 0.00 0.00 52.55 55.27 1s7x s ASP 53 Cb -0.14 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 1s7x s ASP 53 CO 0.54 -1.16 1.35 0.00 0.21 0.00 0.00 175.17 176.11 1s7x s MET 54 N -4.40 4.33 0.32 8.23 0.23 -1.26 -4.80 119.30 121.95 1s7x s MET 54 Ca 0.61 1.94 0.05 0.00 -1.03 0.00 0.00 55.69 57.26 1s7x s MET 54 Cb -0.14 -3.43 -0.06 0.00 -1.53 0.00 0.00 34.83 29.66 1s7x s MET 54 CO 0.42 -0.46 0.03 -1.12 -2.03 0.00 0.00 175.02 171.86 1s7x s SER 55 N 1.47 2.55 0.07 -1.18 0.01 -1.19 -5.04 113.70 110.39 1s7x s SER 55 Ca 0.63 -1.34 0.03 0.00 1.31 0.00 0.00 55.95 56.57 1s7x s SER 55 Cb -0.32 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1s7x s SER 55 CO 0.28 -0.55 -0.09 0.72 0.41 0.00 0.00 173.24 174.01 1s7x s PHE 56 N -3.20 0.87 0.71 2.43 -0.12 -1.26 -1.67 117.98 115.74 1s7x s PHE 56 Ca 0.35 -0.61 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1s7x s PHE 56 Cb 0.08 -0.50 0.11 0.00 -0.63 0.00 0.00 43.02 42.08 1s7x s PHE 56 CO 0.15 -0.06 0.98 -1.12 -0.05 0.00 0.00 175.22 175.12 1s7x s SER 57 N -2.08 4.45 0.36 1.98 0.01 0.10 -4.94 113.70 113.59 1s7x s SER 57 Ca -0.01 -0.23 0.27 0.00 1.31 0.00 0.00 55.95 57.29 1s7x s SER 57 Cb -0.05 -0.22 1.14 0.00 0.21 0.00 0.00 66.02 67.09 1s7x s SER 57 CO -0.00 -1.78 1.81 0.07 0.41 0.00 0.00 173.24 173.75 1s7x h LYS 58 N -0.50 0.00 -0.12 12.44 2.10 -2.02 0.38 116.57 128.85 1s7x h LYS 58 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1s7x h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1s7x h LYS 58 CO 0.43 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.48 1s7x n ASP 59 N -2.54 1.07 0.00 7.07 5.68 -1.26 -4.93 116.55 121.64 1s7x n ASP 59 Ca 0.01 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1s7x n ASP 59 Cb 0.25 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 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 -0.05 0.00 -2.60 2.11 7.02 0.12 -5.03 117.44 119.00 1s7x n TRP 60 Ca 0.14 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.31 1s7x n TRP 60 Cb 0.22 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.08 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 -3.21 6.62 0.27 -0.99 1.04 -1.26 -4.67 113.70 111.50 1s7x s SER 61 Ca 0.00 1.43 0.03 0.00 0.48 0.00 0.00 55.95 57.88 1s7x s SER 61 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1s7x s SER 61 CO 0.00 -0.49 0.43 -0.36 0.98 0.00 0.00 173.24 173.80 1s7x s PHE 62 N -2.48 3.47 0.14 5.02 0.08 -1.12 -0.72 117.98 122.37 1s7x s PHE 62 Ca 0.56 0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.61 1s7x s PHE 62 Cb -0.10 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1s7x s PHE 62 CO 0.29 0.32 0.43 1.52 -0.10 0.00 0.00 175.22 177.69 1s7x s TYR 63 N -2.09 -0.18 -0.27 0.36 1.13 -0.67 -1.20 117.35 114.44 1s7x s TYR 63 Ca 0.37 -0.14 -0.23 0.00 -1.41 0.00 0.00 57.07 55.66 1s7x s TYR 63 Cb -0.09 0.29 0.08 0.00 -1.10 0.00 0.00 41.96 41.13 1s7x s TYR 63 CO 0.32 -0.76 0.74 0.42 -2.51 0.00 0.00 175.55 173.75 1s7x s ILE 64 N -3.82 0.00 -0.26 -3.49 1.01 -0.27 -3.14 121.20 111.23 1s7x s ILE 64 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1s7x s ILE 64 Cb 0.01 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1s7x s ILE 64 CO -0.09 0.00 -0.02 -0.22 0.00 0.00 0.00 174.94 174.61 1s7x s LEU 65 N 0.68 3.32 -0.13 2.97 2.96 -1.26 -1.08 118.68 126.13 1s7x s LEU 65 Ca -0.02 -0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 53.11 1s7x s LEU 65 Cb -0.05 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1s7x s LEU 65 CO -0.05 -0.12 0.08 0.00 -1.32 0.00 0.00 176.35 174.94 1s7x s ALA 66 N 1.41 3.57 0.05 5.97 0.00 0.33 -1.88 121.76 131.20 1s7x s ALA 66 Ca 0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1s7x s ALA 66 Cb -0.16 -1.84 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 1s7x s ALA 66 CO -0.02 0.46 0.17 -3.38 0.00 0.00 0.00 175.76 172.98 1s7x s HIS 67 N -0.50 0.11 -0.02 0.00 -3.43 -0.35 0.19 115.29 111.30 1s7x s HIS 67 Ca 0.11 -0.39 -0.14 0.00 -0.80 0.00 0.00 55.06 53.84 1s7x s HIS 67 Cb -0.12 -0.06 0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1s7x s HIS 67 CO 0.02 -0.44 0.29 -0.08 -2.00 0.00 0.00 174.74 172.53 1s7x s THR 68 N -2.83 0.06 0.36 -5.38 -1.32 -0.64 -0.66 115.64 105.23 1s7x s THR 68 Ca -0.03 -0.48 -0.26 0.00 -1.21 0.00 0.00 61.69 59.71 1s7x s THR 68 Cb 0.00 -0.58 -0.09 0.00 -1.51 0.00 0.00 72.50 70.32 1s7x s THR 68 CO -0.05 -0.27 1.08 -1.61 -2.21 0.00 0.00 174.62 171.56 1s7x s GLU 69 N -1.27 4.31 0.09 7.08 2.02 -1.26 -0.90 118.70 128.76 1s7x s GLU 69 Ca -0.13 1.66 -0.26 0.00 0.02 0.00 0.00 54.97 56.26 1s7x s GLU 69 Cb -0.05 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.47 1s7x s GLU 69 CO 0.04 -0.04 0.72 -0.59 0.02 0.00 0.00 175.26 175.40 1s7x s PHE 70 N -1.45 -0.47 -0.29 1.61 -0.71 -0.42 -4.87 117.98 111.37 1s7x s PHE 70 Ca 0.53 0.32 0.01 0.00 -1.04 0.00 0.00 56.93 56.75 1s7x s PHE 70 Cb -0.27 0.55 0.09 0.00 -1.21 0.00 0.00 43.02 42.17 1s7x s PHE 70 CO 0.34 -0.72 0.03 0.99 -1.34 0.00 0.00 175.22 174.52 1s7x s THR 71 N -3.39 1.59 0.53 -4.49 2.01 -1.26 -0.53 115.64 110.10 1s7x s THR 71 Ca 0.02 -1.67 -0.22 0.00 0.31 0.00 0.00 61.69 60.13 1s7x s THR 71 Cb -0.01 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1s7x s THR 71 CO -0.11 -0.45 1.33 -2.16 -0.69 0.00 0.00 174.62 172.54 1s7x s PRO 72 N 1.29 3.24 0.13 4.92 0.04 -1.26 -4.76 135.00 138.60 1s7x s PRO 72 Ca 0.05 2.18 0.07 0.00 0.04 0.00 0.00 61.00 63.34 1s7x s PRO 72 Cb -0.18 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1s7x s PRO 72 CO -0.13 -1.09 -0.16 0.95 0.04 0.00 0.00 177.00 176.61 1s7x s THR 73 N -1.33 1.55 0.16 1.26 -4.23 -1.26 -2.07 115.64 109.72 1s7x s THR 73 Ca 0.70 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1s7x s THR 73 Cb -0.39 -1.63 0.24 0.00 1.34 0.00 0.00 72.50 72.07 1s7x s THR 73 CO 0.46 -0.32 0.85 -0.62 -0.54 0.00 0.00 174.62 174.45 1s7x n GLU 74 N 0.55 -0.05 -0.09 3.99 4.71 -1.26 -3.24 120.64 125.26 1s7x n GLU 74 Ca -0.15 0.84 -0.10 0.00 -0.01 0.00 0.00 57.16 57.74 1s7x n GLU 74 Cb 0.56 -1.28 -0.13 0.00 -1.01 0.00 0.00 31.44 29.58 1s7x n GLU 74 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1s7x n THR 75 N -4.80 1.21 -1.87 2.62 5.66 -1.26 -4.96 114.28 110.88 1s7x n THR 75 Ca 0.10 -0.69 -0.42 0.00 -3.05 0.00 0.00 64.05 60.00 1s7x n THR 75 Cb 0.33 -0.69 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 1s7x n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1s7x s ASP 76 N -5.35 6.51 0.19 1.09 1.01 -1.20 -5.03 116.67 113.89 1s7x s ASP 76 Ca -0.13 2.73 0.08 0.00 0.71 0.00 0.00 52.55 55.94 1s7x s ASP 76 Cb 0.06 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1s7x s ASP 76 CO 0.67 -0.86 -0.01 0.42 0.21 0.00 0.00 175.17 175.60 1s7x s THR 77 N 0.84 3.61 -0.01 -1.27 -4.23 -1.26 -4.73 115.64 108.60 1s7x s THR 77 Ca 0.69 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1s7x s THR 77 Cb -0.46 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.56 1s7x s THR 77 CO 0.35 -0.15 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.96 1s7x s TYR 78 N -1.81 0.22 0.33 3.99 1.51 -1.26 -1.06 117.35 119.27 1s7x s TYR 78 Ca 0.28 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.35 1s7x s TYR 78 Cb -0.09 -0.20 -0.06 0.00 -0.11 0.00 0.00 41.96 41.50 1s7x s TYR 78 CO 0.18 -0.03 0.05 0.00 -1.11 0.00 0.00 175.55 174.64 1s7x s ALA 79 N 0.23 2.40 -0.09 3.71 0.00 -0.54 -0.12 121.76 127.34 1s7x s ALA 79 Ca -0.02 -2.07 0.02 0.00 0.00 0.00 0.00 51.96 49.89 1s7x s ALA 79 Cb -0.04 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.71 1s7x s ALA 79 CO -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 175.76 175.34 1s7x s ARG 81 N 0.96 2.62 -0.17 0.00 3.52 0.02 -2.30 118.95 123.60 1s7x s ARG 81 Ca -0.08 -1.13 -0.06 0.00 -0.13 0.00 0.00 55.73 54.33 1s7x s ARG 81 Cb -0.15 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1s7x s ARG 81 CO -0.00 -0.52 0.02 0.08 -0.81 0.00 0.00 175.30 174.06 1s7x s VAL 82 N 1.29 4.36 -0.19 7.11 1.01 -0.16 -2.29 120.40 131.53 1s7x s VAL 82 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1s7x s VAL 82 Cb -0.18 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1s7x s VAL 82 CO -0.02 0.47 -0.12 -0.75 0.00 0.00 0.00 175.10 174.68 1s7x s LYS 83 N 0.45 3.22 -0.22 2.72 2.20 0.49 -1.79 119.74 126.81 1s7x s LYS 83 Ca 0.00 -0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 54.70 1s7x s LYS 83 Cb -0.13 -2.79 0.06 0.00 -1.51 0.00 0.00 37.83 33.46 1s7x s LYS 83 CO 0.02 -0.16 0.57 -1.58 -0.36 0.00 0.00 175.35 173.84 1s7x s HIS 84 N 1.28 -0.65 0.62 4.03 2.46 -1.26 -1.71 115.29 120.05 1s7x s HIS 84 Ca 0.03 1.56 0.31 0.00 0.47 0.00 0.00 55.06 57.43 1s7x s HIS 84 Cb -0.14 0.24 1.69 0.00 -0.13 0.00 0.00 32.58 34.24 1s7x s HIS 84 CO -0.06 -0.32 2.03 -0.44 -2.47 0.00 0.00 174.74 173.48 1s7x h ASP 85 N 5.43 0.00 0.31 9.88 3.32 -1.94 0.17 116.42 133.60 1s7x h ASP 85 Ca -0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1s7x h ASP 85 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1s7x h ASP 85 CO 0.15 0.00 -0.03 0.77 -1.72 0.00 0.00 179.24 178.41 1s7x h SER 86 N 0.00 0.00 -4.06 6.45 4.64 -1.90 -3.42 113.55 115.26 1s7x h SER 86 Ca 0.08 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.71 1s7x h SER 86 Cb 0.65 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.44 1s7x h SER 86 CO -0.00 0.03 -0.86 -0.04 -0.87 0.00 0.00 176.83 175.09 1s7x s MET 87 N -4.11 2.54 0.12 4.77 -1.94 0.58 -4.97 119.30 116.30 1s7x s MET 87 Ca -0.03 -0.86 -0.14 0.00 -1.71 0.00 0.00 55.69 52.95 1s7x s MET 87 Cb 0.12 -2.21 -0.06 0.00 2.01 0.00 0.00 34.83 34.69 1s7x s MET 87 CO 0.50 0.43 1.47 0.00 -0.01 0.00 0.00 175.02 177.41 1s7x h ALA 88 N 5.91 0.49 -1.92 3.03 0.00 -1.82 -3.42 119.26 121.53 1s7x h ALA 88 Ca -0.35 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 53.65 1s7x h ALA 88 Cb 1.17 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1s7x h ALA 88 CO 0.48 0.46 -0.53 -1.21 0.00 0.00 0.00 179.25 178.46 1s7x s GLU 89 N -4.53 2.46 0.38 0.00 0.41 -1.26 -5.07 118.70 111.09 1s7x s GLU 89 Ca -0.12 -1.46 -0.27 0.00 -0.41 0.00 0.00 54.97 52.70 1s7x s GLU 89 Cb 0.10 -2.25 -0.09 0.00 -1.78 0.00 0.00 34.13 30.10 1s7x s GLU 89 CO 0.83 0.15 1.34 -2.14 -0.49 0.00 0.00 175.26 174.95 1s7x s PRO 90 N -3.86 4.08 -0.11 0.39 0.02 -1.26 -4.84 135.00 129.43 1s7x s PRO 90 Ca 0.37 2.26 -0.07 0.00 0.02 0.00 0.00 61.00 63.58 1s7x s PRO 90 Cb -0.04 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 1s7x s PRO 90 CO 0.23 -0.44 0.16 0.21 -0.33 0.00 0.00 177.00 176.84 1s7x s LYS 91 N -2.10 3.48 -0.08 5.54 2.20 -0.74 -4.93 119.74 123.09 1s7x s LYS 91 Ca 0.54 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 1s7x s LYS 91 Cb -0.40 -3.19 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1s7x s LYS 91 CO 0.53 0.77 -0.10 0.99 -0.36 0.00 0.00 175.35 177.18 1s7x s THR 92 N -1.05 1.05 -0.08 3.43 2.01 -1.26 -0.99 115.64 118.76 1s7x s THR 92 Ca 0.16 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1s7x s THR 92 Cb -0.12 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 1s7x s THR 92 CO 0.05 0.35 -0.22 0.54 -0.69 0.00 0.00 174.62 174.66 1s7x s VAL 93 N 1.11 1.84 0.24 3.82 0.11 -0.97 -4.96 120.40 121.58 1s7x s VAL 93 Ca -0.06 -0.91 -0.14 0.00 -2.93 0.00 0.00 61.98 57.94 1s7x s VAL 93 Cb -0.14 -1.59 -0.08 0.00 -1.53 0.00 0.00 36.38 33.04 1s7x s VAL 93 CO -0.01 0.51 0.63 -0.31 -3.33 0.00 0.00 175.10 172.59 1s7x s TYR 94 N 0.25 3.49 -0.01 1.54 2.02 -1.26 -1.67 117.35 121.71 1s7x s TYR 94 Ca -0.13 1.10 -0.30 0.00 -0.37 0.00 0.00 57.07 57.37 1s7x s TYR 94 Cb -0.16 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 1s7x s TYR 94 CO 0.06 0.26 1.43 -0.46 -1.57 0.00 0.00 175.55 175.27 1s7x s TRP 95 N -1.74 2.76 -0.39 2.71 -0.00 0.82 -4.85 118.94 118.26 1s7x s TRP 95 Ca 0.46 0.75 -0.12 0.00 -0.00 0.00 0.00 56.10 57.20 1s7x s TRP 95 Cb -0.13 -3.69 0.03 0.00 -0.00 0.00 0.00 33.47 29.69 1s7x s TRP 95 CO 0.19 -2.59 0.24 0.34 -0.00 0.00 0.00 176.95 175.13 1s7x s ASP 96 N 2.03 5.83 0.52 5.86 -1.08 -1.26 -4.79 116.67 123.78 1s7x s ASP 96 Ca 0.65 -1.03 0.25 0.00 -0.52 0.00 0.00 52.55 51.90 1s7x s ASP 96 Cb -0.31 -2.06 1.42 0.00 -1.46 0.00 0.00 42.92 40.51 1s7x s ASP 96 CO 0.26 -0.42 2.08 0.08 0.52 0.00 0.00 175.17 177.69 1s7x h ARG 97 N 8.49 0.00 -7.19 4.34 0.11 -1.93 -3.38 114.38 114.82 1s7x h ARG 97 Ca -0.26 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.30 1s7x h ARG 97 Cb 1.11 0.00 0.14 0.00 1.11 0.00 0.00 29.97 32.33 1s7x h ARG 97 CO 0.70 0.11 0.38 -0.51 0.10 0.00 0.00 179.97 180.75 1s7x s ASP 98 N -6.32 4.45 0.00 0.08 -0.00 -1.26 -4.79 116.67 108.84 1s7x s ASP 98 Ca -0.03 2.23 0.00 0.00 -0.00 0.00 0.00 52.55 54.75 1s7x s ASP 98 Cb 0.14 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.48 1s7x s ASP 98 CO 0.60 -2.08 0.00 1.15 -0.00 0.00 0.00 175.17 174.84