#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7t s GLN 2 N 0.00 2.86 -0.04 6.28 0.74 -1.26 -4.42 119.66 123.82 1s7t s GLN 2 Ca 0.00 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1s7t s GLN 2 Cb 0.00 -2.38 0.03 0.00 1.10 0.00 0.00 33.01 31.76 1s7t s GLN 2 CO 0.00 0.36 0.00 0.15 -0.55 0.00 0.00 175.29 175.25 1s7t s LYS 3 N -0.07 0.32 0.07 1.67 1.02 -0.30 -4.94 119.74 117.52 1s7t s LYS 3 Ca -0.04 0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1s7t s LYS 3 Cb -0.14 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.56 1s7t s LYS 3 CO 0.04 -0.17 1.03 0.99 -0.92 0.00 0.00 175.35 176.32 1s7t s THR 4 N 1.23 4.47 0.23 2.17 2.01 -1.26 -2.47 115.64 122.01 1s7t s THR 4 Ca -0.07 1.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.52 1s7t s THR 4 Cb -0.13 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1s7t s THR 4 CO -0.02 0.22 1.49 -2.16 -0.69 0.00 0.00 174.62 173.45 1s7t s PRO 5 N 0.52 4.24 -0.14 4.92 0.04 -1.26 -4.54 135.00 138.77 1s7t s PRO 5 Ca 0.51 2.34 -0.22 0.00 0.04 0.00 0.00 61.00 63.67 1s7t s PRO 5 Cb -0.24 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1s7t s PRO 5 CO 0.30 -0.49 0.67 -0.65 0.04 0.00 0.00 177.00 176.87 1s7t s GLN 6 N 0.04 4.32 -0.19 4.56 -1.52 -0.18 -4.90 119.66 121.78 1s7t s GLN 6 Ca 0.63 0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 54.77 1s7t s GLN 6 Cb -0.43 -3.52 -0.00 0.00 -0.22 0.00 0.00 33.01 28.84 1s7t s GLN 6 CO 0.40 -0.11 -0.09 0.42 -0.25 0.00 0.00 175.29 175.66 1s7t s ILE 7 N 1.44 3.06 -0.06 1.08 1.01 -1.26 -1.25 121.20 125.22 1s7t s ILE 7 Ca 0.33 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1s7t s ILE 7 Cb -0.16 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1s7t s ILE 7 CO 0.13 0.47 -0.15 -1.10 0.00 0.00 0.00 174.94 174.29 1s7t s GLN 8 N 1.16 1.79 -0.09 2.79 -0.21 -0.43 -4.96 119.66 119.71 1s7t s GLN 8 Ca 0.01 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.90 1s7t s GLN 8 Cb -0.14 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.37 1s7t s GLN 8 CO -0.03 0.14 -0.20 0.08 -2.12 0.00 0.00 175.29 173.16 1s7t s VAL 9 N 0.33 1.77 -0.11 1.09 1.01 -1.26 -0.65 120.40 122.58 1s7t s VAL 9 Ca -0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1s7t s VAL 9 Cb -0.14 -1.55 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1s7t s VAL 9 CO 0.03 0.50 0.83 -0.72 0.00 0.00 0.00 175.10 175.74 1s7t s TYR 10 N 0.47 -0.52 0.45 5.22 -0.85 -0.50 -4.68 117.35 116.94 1s7t s TYR 10 Ca -0.17 0.90 -0.04 0.00 -0.52 0.00 0.00 57.07 57.24 1s7t s TYR 10 Cb -0.17 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1s7t s TYR 10 CO 0.07 -0.48 0.73 -1.54 -1.52 0.00 0.00 175.55 172.81 1s7t s SER 11 N -1.12 6.28 0.07 -0.18 1.04 -1.26 -0.12 113.70 118.41 1s7t s SER 11 Ca -0.06 0.83 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 1s7t s SER 11 Cb -0.00 -2.20 -0.14 0.00 0.10 0.00 0.00 66.02 63.77 1s7t s SER 11 CO 0.06 -0.50 1.32 -0.09 0.98 0.00 0.00 173.24 175.00 1s7t h ARG 12 N 0.41 0.58 -6.24 4.02 9.65 -1.50 -3.45 114.38 117.85 1s7t h ARG 12 Ca -0.48 -0.38 -0.56 0.00 -1.10 0.00 0.00 59.98 57.46 1s7t h ARG 12 Cb 1.21 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 29.75 1s7t h ARG 12 CO 0.62 1.00 -0.62 -1.01 2.80 0.00 0.00 179.97 182.76 1s7t s HIS 13 N -4.01 2.85 0.19 2.20 3.76 -1.26 -5.04 115.29 113.98 1s7t s HIS 13 Ca -0.13 -0.16 -0.33 0.00 -0.15 0.00 0.00 55.06 54.29 1s7t s HIS 13 Cb 0.07 -1.31 -0.14 0.00 1.11 0.00 0.00 32.58 32.31 1s7t s HIS 13 CO 0.82 0.56 1.50 -2.30 -0.85 0.00 0.00 174.74 174.47 1s7t n PRO 14 N -0.72 2.06 -2.44 8.40 -0.02 -1.26 -4.86 135.00 136.16 1s7t n PRO 14 Ca -0.08 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1s7t n PRO 14 Cb 0.57 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1s7t n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7t s PRO 15 N 0.35 4.37 -0.07 0.52 0.04 -1.26 -5.02 135.00 133.93 1s7t s PRO 15 Ca 0.75 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.51 1s7t s PRO 15 Cb -0.68 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.36 1s7t s PRO 15 CO 0.43 -0.41 -0.10 -1.21 0.04 0.00 0.00 177.00 175.75 1s7t s GLU 16 N 1.97 1.56 0.27 4.56 2.02 -1.26 -5.12 118.70 122.70 1s7t s GLU 16 Ca 0.57 -0.34 -0.31 0.00 0.02 0.00 0.00 54.97 54.91 1s7t s GLU 16 Cb -0.26 -1.38 -0.12 0.00 0.10 0.00 0.00 34.13 32.47 1s7t s GLU 16 CO 0.24 -0.05 1.57 0.09 0.02 0.00 0.00 175.26 177.13 1s7t n ASN 17 N 4.09 3.63 0.00 -0.19 5.03 -1.26 -2.10 115.26 124.46 1s7t n ASN 17 Ca -0.21 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.38 1s7t n ASN 17 Cb 0.51 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.72 1s7t n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s7t n GLY 18 N 2.38 1.97 3.48 7.41 0.00 -0.94 -5.01 105.19 114.49 1s7t n GLY 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1s7t n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7t s LYS 19 N -0.34 3.72 0.57 1.61 2.20 -0.89 -4.98 119.74 121.63 1s7t s LYS 19 Ca 0.00 -0.45 -0.20 0.00 -0.36 0.00 0.00 55.97 54.97 1s7t s LYS 19 Cb 0.00 -3.34 -0.06 0.00 -1.51 0.00 0.00 37.83 32.93 1s7t s LYS 19 CO 0.00 -0.12 1.04 -2.30 -0.36 0.00 0.00 175.35 173.61 1s7t n PRO 20 N 4.75 1.10 -3.81 4.03 -0.02 -1.26 -4.18 135.00 135.61 1s7t n PRO 20 Ca -0.16 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 1s7t n PRO 20 Cb 0.52 -2.23 0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1s7t n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1s7t s ASN 21 N -1.12 0.04 -0.11 2.55 3.84 0.31 -4.98 114.94 115.47 1s7t s ASN 21 Ca 0.73 -1.19 0.01 0.00 0.21 0.00 0.00 52.86 52.63 1s7t s ASN 21 Cb -0.44 0.86 0.02 0.00 -0.55 0.00 0.00 41.25 41.14 1s7t s ASN 21 CO 0.49 -1.71 -0.14 -0.63 -2.79 0.00 0.00 177.10 172.32 1s7t s ILE 22 N -2.23 1.42 -0.04 -5.21 1.01 -1.26 -1.75 121.20 113.13 1s7t s ILE 22 Ca 0.16 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 1s7t s ILE 22 Cb -0.05 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1s7t s ILE 22 CO 0.12 0.43 0.42 -0.22 0.00 0.00 0.00 174.94 175.68 1s7t s LEU 23 N 1.04 4.40 0.02 2.97 2.96 0.01 -1.08 118.68 129.01 1s7t s LEU 23 Ca -0.06 0.89 0.08 0.00 -0.22 0.00 0.00 54.13 54.82 1s7t s LEU 23 Cb -0.15 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1s7t s LEU 23 CO -0.02 0.22 -0.22 0.20 -1.32 0.00 0.00 176.35 175.20 1s7t s ASN 24 N -0.49 2.65 -0.24 3.68 0.01 0.83 -1.37 114.94 120.01 1s7t s ASN 24 Ca 0.24 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.87 1s7t s ASN 24 Cb -0.16 -0.25 0.07 0.00 0.41 0.00 0.00 41.25 41.32 1s7t s ASN 24 CO 0.12 0.22 0.05 0.00 -1.51 0.00 0.00 177.10 175.97 1s7t s TYR 26 N 1.72 3.38 -0.21 0.00 5.04 0.17 -1.23 117.35 126.22 1s7t s TYR 26 Ca 0.02 0.53 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 1s7t s TYR 26 Cb -0.17 -2.43 0.03 0.00 0.35 0.00 0.00 41.96 39.74 1s7t s TYR 26 CO -0.14 0.06 -0.15 0.08 -1.34 0.00 0.00 175.55 174.05 1s7t s VAL 27 N 1.09 2.21 0.22 3.14 1.01 -0.18 -1.31 120.40 126.58 1s7t s VAL 27 Ca 0.16 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1s7t s VAL 27 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1s7t s VAL 27 CO 0.06 0.32 0.11 0.42 0.00 0.00 0.00 175.10 176.01 1s7t s THR 28 N 1.24 0.25 -1.53 3.92 -4.23 -0.38 -1.02 115.64 113.89 1s7t s THR 28 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.39 1s7t s THR 28 Cb -0.16 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.24 1s7t s THR 28 CO -0.09 -0.03 0.93 0.00 -0.54 0.00 0.00 174.62 174.89 1s7t n GLN 29 N -0.34 -5.26 -4.34 3.99 6.02 -0.61 -1.01 117.38 115.83 1s7t n GLN 29 Ca 0.01 0.58 -0.27 0.00 -0.01 0.00 0.00 57.00 57.30 1s7t n GLN 29 Cb 0.66 -5.41 -0.11 0.00 1.02 0.00 0.00 30.24 26.40 1s7t n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1s7t s PHE 30 N -3.35 2.49 -0.28 1.08 -0.71 -1.10 -4.22 117.98 111.89 1s7t s PHE 30 Ca 0.60 -0.28 -0.20 0.00 -1.04 0.00 0.00 56.93 56.01 1s7t s PHE 30 Cb -0.30 -1.25 0.10 0.00 -1.21 0.00 0.00 43.02 40.36 1s7t s PHE 30 CO 0.84 0.47 0.82 -1.58 -1.34 0.00 0.00 175.22 174.43 1s7t s HIS 31 N -1.55 -0.79 0.99 3.49 2.46 -1.03 -0.46 115.29 118.40 1s7t s HIS 31 Ca 0.22 1.70 -0.16 0.00 0.47 0.00 0.00 55.06 57.29 1s7t s HIS 31 Cb -0.09 0.44 0.20 0.00 -0.13 0.00 0.00 32.58 33.00 1s7t s HIS 31 CO 0.12 -0.39 1.24 -1.25 -2.47 0.00 0.00 174.74 172.00 1s7t s PRO 32 N 1.03 0.43 0.42 2.88 0.04 -1.26 -1.14 135.00 137.40 1s7t s PRO 32 Ca -0.05 -0.21 0.21 0.00 0.04 0.00 0.00 61.00 60.99 1s7t s PRO 32 Cb -0.05 -1.80 0.88 0.00 0.04 0.00 0.00 34.50 33.57 1s7t s PRO 32 CO -0.12 -2.58 1.83 -1.00 0.04 0.00 0.00 177.00 175.17 1s7t h PRO 33 N -1.77 0.00 -6.42 0.56 0.13 -1.99 -3.45 132.00 119.07 1s7t h PRO 33 Ca -0.45 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.15 1s7t h PRO 33 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1s7t h PRO 33 CO 0.43 0.29 1.14 -1.58 -0.23 0.00 0.00 178.00 178.04 1s7t s HIS 34 N -3.78 1.85 0.06 1.56 2.46 -1.26 -4.96 115.29 111.22 1s7t s HIS 34 Ca -0.01 -0.11 -0.17 0.00 0.47 0.00 0.00 55.06 55.24 1s7t s HIS 34 Cb 0.11 -4.14 0.03 0.00 -0.13 0.00 0.00 32.58 28.45 1s7t s HIS 34 CO 0.66 -4.88 0.39 -1.50 -2.47 0.00 0.00 174.74 166.94 1s7t s ILE 35 N 3.49 0.06 -0.10 0.89 2.07 -1.26 -4.56 121.20 121.79 1s7t s ILE 35 Ca 0.82 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 59.54 1s7t s ILE 35 Cb -0.43 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.18 1s7t s ILE 35 CO 0.37 -0.29 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.31 1s7t s GLU 36 N -2.79 1.63 -0.14 3.50 2.12 -0.59 -5.00 118.70 117.43 1s7t s GLU 36 Ca -0.03 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 54.98 1s7t s GLU 36 Cb -0.00 -1.55 0.02 0.00 0.26 0.00 0.00 34.13 32.86 1s7t s GLU 36 CO -0.05 -0.16 -0.16 0.42 -0.54 0.00 0.00 175.26 174.77 1s7t s ILE 37 N 1.33 1.66 -0.09 -3.70 1.01 -1.26 -1.04 121.20 119.11 1s7t s ILE 37 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1s7t s ILE 37 Cb -0.14 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1s7t s ILE 37 CO -0.04 0.47 -0.15 -1.10 0.00 0.00 0.00 174.94 174.12 1s7t s GLN 38 N 1.29 2.05 0.04 2.79 -0.21 -0.27 -5.00 119.66 120.36 1s7t s GLN 38 Ca 0.01 -0.52 -0.11 0.00 0.02 0.00 0.00 55.36 54.76 1s7t s GLN 38 Cb -0.14 -1.70 -0.06 0.00 1.00 0.00 0.00 33.01 32.12 1s7t s GLN 38 CO -0.08 0.01 0.39 -1.64 -2.12 0.00 0.00 175.29 171.84 1s7t s MET 39 N 0.76 3.80 -0.03 2.91 -1.94 -1.26 -0.42 119.30 123.12 1s7t s MET 39 Ca -0.12 0.24 0.04 0.00 -1.71 0.00 0.00 55.69 54.15 1s7t s MET 39 Cb -0.16 -3.09 -0.00 0.00 2.01 0.00 0.00 34.83 33.59 1s7t s MET 39 CO 0.02 0.62 -0.15 -0.51 -0.01 0.00 0.00 175.02 175.00 1s7t s LEU 40 N -1.55 1.91 -0.20 -0.03 1.43 0.60 -1.35 118.68 119.50 1s7t s LEU 40 Ca 0.28 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1s7t s LEU 40 Cb -0.15 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1s7t s LEU 40 CO 0.15 0.14 -0.15 -0.75 0.23 0.00 0.00 176.35 175.97 1s7t s LYS 41 N -0.02 2.97 -1.49 1.70 2.20 0.31 -1.55 119.74 123.85 1s7t s LYS 41 Ca -0.01 -0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 1s7t s LYS 41 Cb -0.10 -2.71 0.06 0.00 -1.51 0.00 0.00 37.83 33.58 1s7t s LYS 41 CO 0.01 -0.26 0.77 0.09 -0.36 0.00 0.00 175.35 175.60 1s7t n ASN 42 N 4.64 -2.76 0.00 1.43 3.02 0.25 -1.73 115.26 120.11 1s7t n ASN 42 Ca -0.19 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1s7t n ASN 42 Cb 0.49 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 1s7t n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7t n GLY 43 N -1.68 0.79 3.35 7.41 0.00 -1.26 -5.01 105.19 108.79 1s7t n GLY 43 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1s7t n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7t s LYS 44 N -0.08 2.38 0.12 1.61 2.20 -0.70 -5.05 119.74 120.21 1s7t s LYS 44 Ca 0.00 -0.85 -0.33 0.00 -0.36 0.00 0.00 55.97 54.43 1s7t s LYS 44 Cb 0.00 -2.18 -0.12 0.00 -1.51 0.00 0.00 37.83 34.01 1s7t s LYS 44 CO 0.00 0.52 1.74 1.17 -0.36 0.00 0.00 175.35 178.42 1s7t n LYS 45 N 2.58 2.47 -2.63 4.03 0.00 -1.26 -0.53 118.16 122.81 1s7t n LYS 45 Ca -0.17 0.90 -0.43 0.00 0.00 0.00 0.00 58.31 58.61 1s7t n LYS 45 Cb 0.52 -2.73 -0.02 0.00 0.00 0.00 0.00 35.03 32.79 1s7t n LYS 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1s7t s ILE 46 N 2.07 4.65 0.20 3.15 1.01 -0.46 -4.84 121.20 126.98 1s7t s ILE 46 Ca 0.81 1.95 0.01 0.00 0.00 0.00 0.00 60.65 63.42 1s7t s ILE 46 Cb -0.59 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.55 1s7t s ILE 46 CO 0.39 -0.07 1.49 1.55 0.00 0.00 0.00 174.94 178.30 1s7t h PRO 47 N 7.34 0.36 -3.68 2.79 0.13 -1.93 -3.40 132.00 133.62 1s7t h PRO 47 Ca -0.27 -0.27 -0.75 0.00 -0.87 0.00 0.00 66.00 63.84 1s7t h PRO 47 Cb 1.11 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1s7t h PRO 47 CO 0.91 0.89 -0.03 0.21 -0.23 0.00 0.00 178.00 179.75 1s7t s LYS 48 N -3.71 3.31 -0.17 0.86 2.20 -1.26 -5.00 119.74 115.95 1s7t s LYS 48 Ca -0.05 -2.62 0.00 0.00 -0.36 0.00 0.00 55.97 52.93 1s7t s LYS 48 Cb 0.11 -4.18 0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1s7t s LYS 48 CO 0.82 -1.25 -0.08 0.08 -0.36 0.00 0.00 175.35 174.57 1s7t s VAL 49 N -0.17 1.32 -0.03 4.02 1.01 -1.26 -4.70 120.40 120.59 1s7t s VAL 49 Ca 0.20 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1s7t s VAL 49 Cb -0.13 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1s7t s VAL 49 CO -0.07 0.17 0.66 -1.61 0.00 0.00 0.00 175.10 174.24 1s7t s GLU 50 N 1.54 4.40 -0.10 2.72 2.02 -0.73 -4.90 118.70 123.65 1s7t s GLU 50 Ca 0.00 0.83 -0.10 0.00 0.02 0.00 0.00 54.97 55.72 1s7t s GLU 50 Cb -0.15 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.63 1s7t s GLU 50 CO -0.08 0.21 0.23 -1.64 0.02 0.00 0.00 175.26 174.00 1s7t s MET 51 N 0.31 3.75 0.32 1.61 -1.94 -1.26 -1.01 119.30 121.07 1s7t s MET 51 Ca 0.35 0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 54.18 1s7t s MET 51 Cb -0.18 -3.25 0.06 0.00 2.01 0.00 0.00 34.83 33.47 1s7t s MET 51 CO 0.18 0.64 0.87 -1.54 -0.01 0.00 0.00 175.02 175.16 1s7t s SER 52 N -0.71 0.01 -1.49 3.03 1.04 0.66 -4.99 113.70 111.25 1s7t s SER 52 Ca 0.17 -0.99 -0.08 0.00 0.48 0.00 0.00 55.95 55.53 1s7t s SER 52 Cb -0.13 0.74 0.06 0.00 0.10 0.00 0.00 66.02 66.78 1s7t s SER 52 CO 0.06 -1.46 0.69 0.47 0.98 0.00 0.00 173.24 173.98 1s7t n ASP 53 N -1.36 -2.23 -4.71 7.02 9.92 -1.26 -0.33 116.55 123.60 1s7t n ASP 53 Ca -0.07 -0.92 -0.42 0.00 -0.53 0.00 0.00 54.79 52.85 1s7t n ASP 53 Cb 0.60 -3.35 -0.03 0.00 -0.64 0.00 0.00 41.12 37.70 1s7t n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1s7t s MET 54 N -6.56 4.46 0.26 -1.24 1.75 -1.26 -4.12 119.30 112.58 1s7t s MET 54 Ca 0.34 1.67 -0.09 0.00 -1.25 0.00 0.00 55.69 56.36 1s7t s MET 54 Cb -0.18 -3.39 0.03 0.00 2.84 0.00 0.00 34.83 34.14 1s7t s MET 54 CO 0.87 -0.21 0.50 -1.13 -0.65 0.00 0.00 175.02 174.39 1s7t n SER 55 N 4.01 -1.44 -4.04 1.11 3.41 -0.72 -5.01 113.62 110.94 1s7t n SER 55 Ca 0.08 -2.10 -0.09 0.00 -0.26 0.00 0.00 58.87 56.51 1s7t n SER 55 Cb 0.48 2.43 -0.11 0.00 -0.26 0.00 0.00 64.21 66.75 1s7t n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1s7t s PHE 56 N -4.30 0.43 0.73 7.33 -0.71 -1.26 -1.07 117.98 119.13 1s7t s PHE 56 Ca 0.12 -0.76 -0.09 0.00 -1.04 0.00 0.00 56.93 55.16 1s7t s PHE 56 Cb -0.03 -0.31 0.16 0.00 -1.21 0.00 0.00 43.02 41.64 1s7t s PHE 56 CO 0.09 -0.25 1.00 -1.13 -1.34 0.00 0.00 175.22 173.59 1s7t n SER 57 N 0.90 0.47 -0.24 1.98 3.41 -0.86 -4.90 113.62 114.38 1s7t n SER 57 Ca -0.19 -1.60 0.10 0.00 -0.26 0.00 0.00 58.87 56.91 1s7t n SER 57 Cb 0.58 -0.73 0.36 0.00 -0.26 0.00 0.00 64.21 64.16 1s7t n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1s7t h LYS 58 N 0.00 0.71 -0.08 4.33 3.64 -2.02 -1.85 116.57 121.30 1s7t h LYS 58 Ca -0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1s7t h LYS 58 Cb 0.99 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1s7t h LYS 58 CO 0.27 0.47 0.00 -0.40 -2.27 0.00 0.00 179.45 177.52 1s7t n ASP 59 N -4.52 0.98 0.00 4.20 5.75 -1.26 -4.93 116.55 116.77 1s7t n ASP 59 Ca 0.15 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1s7t n ASP 59 Cb 0.37 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1s7t n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1s7t n TRP 60 N -0.16 0.00 -2.22 2.11 7.02 -0.70 -5.04 117.44 118.45 1s7t n TRP 60 Ca 0.17 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.29 1s7t n TRP 60 Cb 0.23 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 1s7t n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7t s SER 61 N -3.02 5.83 0.24 -0.99 1.04 -1.26 -4.69 113.70 110.84 1s7t s SER 61 Ca 0.00 2.26 -0.10 0.00 0.48 0.00 0.00 55.95 58.60 1s7t s SER 61 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.45 1s7t s SER 61 CO 0.00 -1.15 0.56 -0.36 0.98 0.00 0.00 173.24 173.27 1s7t s PHE 62 N -1.65 3.42 -0.00 5.02 0.40 0.39 -2.04 117.98 123.52 1s7t s PHE 62 Ca 0.70 0.89 0.02 0.00 -0.60 0.00 0.00 56.93 57.94 1s7t s PHE 62 Cb -0.27 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 1s7t s PHE 62 CO 0.31 0.26 -0.08 0.71 0.70 0.00 0.00 175.22 177.12 1s7t s TYR 63 N -1.83 0.68 -0.10 0.36 1.51 -0.24 -1.57 117.35 116.17 1s7t s TYR 63 Ca 0.48 -0.16 -0.28 0.00 -1.01 0.00 0.00 57.07 56.10 1s7t s TYR 63 Cb -0.11 -0.44 0.07 0.00 -0.11 0.00 0.00 41.96 41.37 1s7t s TYR 63 CO 0.21 -0.01 0.66 -1.50 -1.11 0.00 0.00 175.55 173.79 1s7t s ILE 64 N -0.28 0.00 -0.17 2.71 2.07 -0.19 -1.76 121.20 123.59 1s7t s ILE 64 Ca 0.02 -0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 1s7t s ILE 64 Cb -0.04 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1s7t s ILE 64 CO -0.00 -0.02 -0.02 -0.22 -1.91 0.00 0.00 174.94 172.77 1s7t s LEU 65 N -0.83 3.30 -0.15 8.50 2.96 0.56 -1.01 118.68 132.01 1s7t s LEU 65 Ca -0.09 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1s7t s LEU 65 Cb -0.01 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1s7t s LEU 65 CO 0.07 0.15 0.07 0.00 -1.32 0.00 0.00 176.35 175.32 1s7t s ALA 66 N 0.49 3.50 0.08 5.97 0.00 -0.37 -0.25 121.76 131.19 1s7t s ALA 66 Ca -0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 1s7t s ALA 66 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1s7t s ALA 66 CO 0.02 0.34 0.29 -3.38 0.00 0.00 0.00 175.76 173.04 1s7t s HIS 67 N -0.15 -0.05 -0.04 0.00 -3.43 -0.18 -0.42 115.29 111.03 1s7t s HIS 67 Ca 0.08 -0.23 -0.25 0.00 -0.80 0.00 0.00 55.06 53.86 1s7t s HIS 67 Cb -0.12 0.09 0.05 0.00 -1.43 0.00 0.00 32.58 31.17 1s7t s HIS 67 CO 0.01 -0.57 0.54 -0.08 -2.00 0.00 0.00 174.74 172.64 1s7t s THR 68 N -3.30 0.02 0.32 -5.38 -1.32 -0.47 -1.76 115.64 103.75 1s7t s THR 68 Ca 0.00 -0.18 -0.27 0.00 -1.21 0.00 0.00 61.69 60.03 1s7t s THR 68 Cb 0.02 -0.85 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 1s7t s THR 68 CO -0.08 -0.10 0.98 -1.61 -2.21 0.00 0.00 174.62 171.60 1s7t s GLU 69 N -1.25 4.56 0.08 7.08 2.02 -1.26 -0.81 118.70 129.11 1s7t s GLU 69 Ca -0.12 1.45 -0.26 0.00 0.02 0.00 0.00 54.97 56.06 1s7t s GLU 69 Cb -0.02 -2.87 0.08 0.00 0.10 0.00 0.00 34.13 31.41 1s7t s GLU 69 CO 0.08 0.23 0.69 -0.59 0.02 0.00 0.00 175.26 175.68 1s7t s PHE 70 N -1.50 -0.51 -0.27 1.61 -0.71 -0.72 -4.86 117.98 111.02 1s7t s PHE 70 Ca 0.49 0.44 0.03 0.00 -1.04 0.00 0.00 56.93 56.85 1s7t s PHE 70 Cb -0.22 0.53 0.07 0.00 -1.21 0.00 0.00 43.02 42.18 1s7t s PHE 70 CO 0.28 -0.73 -0.08 0.99 -1.34 0.00 0.00 175.22 174.34 1s7t s THR 71 N -3.13 2.07 0.63 -4.49 2.01 -1.26 -0.53 115.64 110.94 1s7t s THR 71 Ca -0.00 -1.67 -0.18 0.00 0.31 0.00 0.00 61.69 60.15 1s7t s THR 71 Cb -0.01 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1s7t s THR 71 CO -0.08 -0.13 1.14 -2.65 -0.69 0.00 0.00 174.62 172.21 1s7t n PRO 72 N 4.45 1.01 -4.08 4.92 -0.02 -1.26 -4.81 135.00 135.21 1s7t n PRO 72 Ca -0.11 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1s7t n PRO 72 Cb 0.42 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1s7t n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s7t s THR 73 N -1.45 0.52 0.25 3.45 2.01 -1.26 -2.20 115.64 116.95 1s7t s THR 73 Ca 0.80 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 1s7t s THR 73 Cb -0.40 -0.86 0.22 0.00 0.01 0.00 0.00 72.50 71.47 1s7t s THR 73 CO 0.43 -0.53 1.81 -0.08 -0.69 0.00 0.00 174.62 175.56 1s7t h GLU 74 N 4.10 0.77 0.00 4.92 4.57 -1.99 -3.10 114.58 123.85 1s7t h GLU 74 Ca -0.35 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1s7t h GLU 74 Cb 1.19 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1s7t h GLU 74 CO 0.47 0.51 -0.81 1.79 -1.18 0.00 0.00 179.01 179.79 1s7t h THR 75 N 0.79 0.00 -3.31 0.32 1.35 -2.03 -3.47 112.91 106.57 1s7t h THR 75 Ca 0.40 -0.87 -0.53 0.00 -0.55 0.00 0.00 66.41 64.87 1s7t h THR 75 Cb 0.37 1.44 0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1s7t h THR 75 CO -0.25 0.00 0.63 -1.81 -0.25 0.00 0.00 175.52 173.84 1s7t s ASP 76 N -5.16 6.96 -0.14 5.36 1.01 -1.18 -5.02 116.67 118.50 1s7t s ASP 76 Ca 0.02 2.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.53 1s7t s ASP 76 Cb 0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1s7t s ASP 76 CO 0.76 -0.50 0.01 -0.89 0.21 0.00 0.00 175.17 174.76 1s7t s THR 77 N 0.39 4.34 0.11 -1.27 2.01 -1.26 -4.82 115.64 115.14 1s7t s THR 77 Ca 0.57 -0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.46 1s7t s THR 77 Cb -0.35 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1s7t s THR 77 CO 0.35 0.53 -0.25 -0.31 -0.69 0.00 0.00 174.62 174.25 1s7t s TYR 78 N -0.11 2.12 0.31 4.92 1.51 -1.26 -0.58 117.35 124.26 1s7t s TYR 78 Ca 0.04 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.52 1s7t s TYR 78 Cb -0.13 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.59 1s7t s TYR 78 CO 0.02 0.27 0.76 0.00 -1.11 0.00 0.00 175.55 175.49 1s7t s ALA 79 N -1.06 -1.06 -0.04 3.71 0.00 -0.60 -0.88 121.76 121.82 1s7t s ALA 79 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1s7t s ALA 79 Cb -0.10 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1s7t s ALA 79 CO 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 175.76 174.81 1s7t s ARG 81 N 1.65 3.44 -0.09 0.00 3.52 0.44 -1.17 118.95 126.74 1s7t s ARG 81 Ca -0.01 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 54.98 1s7t s ARG 81 Cb -0.13 -2.78 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1s7t s ARG 81 CO -0.03 0.12 -0.16 0.08 -0.81 0.00 0.00 175.30 174.50 1s7t s VAL 82 N 0.63 1.48 -0.18 7.11 1.01 -0.54 -1.11 120.40 128.80 1s7t s VAL 82 Ca -0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1s7t s VAL 82 Cb -0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1s7t s VAL 82 CO 0.03 0.44 -0.01 -0.54 0.00 0.00 0.00 175.10 175.01 1s7t s LYS 83 N 0.77 3.67 0.02 2.72 1.02 -0.21 -1.94 119.74 125.79 1s7t s LYS 83 Ca -0.11 -0.51 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 1s7t s LYS 83 Cb -0.16 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1s7t s LYS 83 CO 0.02 0.14 0.28 -1.58 -0.92 0.00 0.00 175.35 173.29 1s7t s HIS 84 N 0.64 -0.10 0.59 3.18 2.46 -1.26 -1.55 115.29 119.25 1s7t s HIS 84 Ca -0.01 0.04 0.29 0.00 0.47 0.00 0.00 55.06 55.85 1s7t s HIS 84 Cb -0.14 0.07 1.78 0.00 -0.13 0.00 0.00 32.58 34.15 1s7t s HIS 84 CO 0.02 -0.44 2.23 -0.44 -2.47 0.00 0.00 174.74 173.64 1s7t h ASP 85 N 3.55 0.00 0.39 9.88 3.32 -1.94 -1.65 116.42 129.98 1s7t h ASP 85 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1s7t h ASP 85 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1s7t h ASP 85 CO 0.44 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.42 1s7t n SER 86 N -3.87 0.00 -4.00 6.45 3.41 -1.26 -4.70 113.62 109.64 1s7t n SER 86 Ca -0.02 0.30 -0.25 0.00 -0.26 0.00 0.00 58.87 58.64 1s7t n SER 86 Cb 0.12 -0.40 -0.17 0.00 -0.26 0.00 0.00 64.21 63.51 1s7t n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s7t s MET 87 N -2.80 1.66 0.22 4.33 -1.94 -0.62 -4.93 119.30 115.22 1s7t s MET 87 Ca 0.10 -0.38 -0.09 0.00 -1.71 0.00 0.00 55.69 53.61 1s7t s MET 87 Cb 0.10 -1.44 0.21 0.00 2.01 0.00 0.00 34.83 35.71 1s7t s MET 87 CO 0.24 -0.03 1.86 0.00 -0.01 0.00 0.00 175.02 177.09 1s7t h ALA 88 N 7.20 1.01 -2.47 3.03 0.00 -1.84 -3.43 119.26 122.76 1s7t h ALA 88 Ca -0.31 -0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.14 1s7t h ALA 88 Cb 1.18 -0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 1s7t h ALA 88 CO 0.46 0.31 -0.74 -1.21 0.00 0.00 0.00 179.25 178.07 1s7t s GLU 89 N -6.11 1.20 0.13 0.00 2.02 -1.26 -5.10 118.70 109.57 1s7t s GLU 89 Ca -0.13 -1.46 -0.35 0.00 0.02 0.00 0.00 54.97 53.06 1s7t s GLU 89 Cb 0.16 -1.00 -0.17 0.00 0.10 0.00 0.00 34.13 33.23 1s7t s GLU 89 CO 0.78 0.17 1.14 -2.30 0.02 0.00 0.00 175.26 175.07 1s7t n PRO 90 N -0.04 0.89 -3.95 0.39 -0.02 -1.26 -4.92 135.00 126.08 1s7t n PRO 90 Ca -0.11 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.34 1s7t n PRO 90 Cb 0.59 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 32.14 1s7t n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s7t s LYS 91 N -0.16 3.73 -0.14 -0.52 2.20 -0.82 -4.93 119.74 119.11 1s7t s LYS 91 Ca 0.78 -0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1s7t s LYS 91 Cb -0.95 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 1s7t s LYS 91 CO 0.52 0.01 0.02 0.99 -0.36 0.00 0.00 175.35 176.53 1s7t s THR 92 N 1.05 4.44 -0.14 3.43 2.01 -1.26 -1.47 115.64 123.71 1s7t s THR 92 Ca 0.03 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1s7t s THR 92 Cb -0.14 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 1s7t s THR 92 CO 0.03 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 1s7t s VAL 93 N -0.06 2.87 0.03 3.82 1.01 -0.31 -4.96 120.40 122.80 1s7t s VAL 93 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1s7t s VAL 93 Cb -0.13 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1s7t s VAL 93 CO 0.02 0.52 0.41 -0.31 0.00 0.00 0.00 175.10 175.74 1s7t s TYR 94 N 0.52 3.67 0.08 5.22 1.51 -1.26 -1.12 117.35 125.96 1s7t s TYR 94 Ca -0.10 0.93 -0.31 0.00 -1.01 0.00 0.00 57.07 56.59 1s7t s TYR 94 Cb -0.16 -2.25 -0.09 0.00 -0.11 0.00 0.00 41.96 39.36 1s7t s TYR 94 CO 0.04 0.59 1.67 -0.46 -1.11 0.00 0.00 175.55 176.28 1s7t s TRP 95 N -1.21 2.42 -0.51 2.71 -0.00 -0.06 -4.90 118.94 117.39 1s7t s TRP 95 Ca 0.28 0.29 -0.05 0.00 -0.00 0.00 0.00 56.10 56.61 1s7t s TRP 95 Cb -0.16 -3.99 0.13 0.00 -0.00 0.00 0.00 33.47 29.46 1s7t s TRP 95 CO 0.15 -3.98 0.34 0.34 -0.00 0.00 0.00 176.95 173.80 1s7t s ASP 96 N 2.39 5.47 0.43 5.86 -1.08 -1.26 -4.78 116.67 123.69 1s7t s ASP 96 Ca 0.75 -2.24 0.19 0.00 -0.52 0.00 0.00 52.55 50.72 1s7t s ASP 96 Cb -0.41 -1.91 1.12 0.00 -1.46 0.00 0.00 42.92 40.26 1s7t s ASP 96 CO 0.33 -0.55 1.87 0.03 0.52 0.00 0.00 175.17 177.37 1s7t h ARG 97 N 7.90 0.36 -0.01 4.34 3.08 -1.97 -2.66 114.38 125.41 1s7t h ARG 97 Ca -0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1s7t h ARG 97 Cb 1.03 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1s7t h ARG 97 CO 0.76 0.23 -0.37 -0.25 -1.07 0.00 0.00 179.97 179.27 1s7t n ASP 98 N -4.49 1.05 0.00 7.04 8.00 -1.26 -4.83 116.55 122.06 1s7t n ASP 98 Ca 0.18 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1s7t n ASP 98 Cb 0.70 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 1s7t n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61