#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g7p s GLN 2 N 0.00 4.28 -0.10 0.38 -0.21 -1.26 -4.44 119.66 118.31 1g7p s GLN 2 Ca 0.00 1.45 0.02 0.00 0.02 0.00 0.00 55.36 56.85 1g7p s GLN 2 Cb 0.00 -3.66 0.01 0.00 1.00 0.00 0.00 33.01 30.37 1g7p s GLN 2 CO 0.00 -0.61 -0.15 0.15 -2.12 0.00 0.00 175.29 172.57 1g7p s LYS 3 N 3.10 2.12 0.09 2.91 1.02 -0.01 -4.95 119.74 124.01 1g7p s LYS 3 Ca 0.48 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1g7p s LYS 3 Cb -0.17 -1.79 -0.06 0.00 -0.52 0.00 0.00 37.83 35.29 1g7p s LYS 3 CO 0.10 -0.04 1.09 0.99 -0.92 0.00 0.00 175.35 176.58 1g7p s THR 4 N 0.90 4.23 0.44 2.17 2.01 -1.26 -2.52 115.64 121.62 1g7p s THR 4 Ca -0.09 1.72 -0.25 0.00 0.31 0.00 0.00 61.69 63.38 1g7p s THR 4 Cb -0.15 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.18 1g7p s THR 4 CO 0.00 0.20 1.29 -2.16 -0.69 0.00 0.00 174.62 173.26 1g7p s PRO 5 N 0.50 3.79 -0.18 4.92 0.04 -1.26 -4.62 135.00 138.20 1g7p s PRO 5 Ca 0.53 2.11 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 1g7p s PRO 5 Cb -0.27 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.61 1g7p s PRO 5 CO 0.31 -0.62 0.21 -0.65 0.04 0.00 0.00 177.00 176.28 1g7p s GLN 6 N -2.43 4.20 -0.20 4.56 -1.52 0.47 -4.91 119.66 119.84 1g7p s GLN 6 Ca 0.60 -0.06 -0.01 0.00 -1.95 0.00 0.00 55.36 53.94 1g7p s GLN 6 Cb -0.37 -3.42 0.01 0.00 -0.22 0.00 0.00 33.01 29.02 1g7p s GLN 6 CO 0.46 0.28 -0.14 0.42 -0.25 0.00 0.00 175.29 176.07 1g7p s ILE 7 N 0.37 2.56 -0.10 1.08 1.01 -1.26 -0.89 121.20 123.96 1g7p s ILE 7 Ca 0.12 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1g7p s ILE 7 Cb -0.12 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1g7p s ILE 7 CO 0.01 0.49 -0.21 -1.10 0.00 0.00 0.00 174.94 174.13 1g7p s GLN 8 N 1.36 2.69 -0.13 2.79 -0.21 -0.45 -4.99 119.66 120.72 1g7p s GLN 8 Ca 0.05 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1g7p s GLN 8 Cb -0.14 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.79 1g7p s GLN 8 CO -0.09 0.11 -0.20 0.08 -2.12 0.00 0.00 175.29 173.06 1g7p s VAL 9 N 0.50 2.28 0.09 1.09 1.01 -1.26 -0.60 120.40 123.51 1g7p s VAL 9 Ca -0.16 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 1g7p s VAL 9 Cb -0.17 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.37 1g7p s VAL 9 CO 0.06 0.54 0.65 -0.72 0.00 0.00 0.00 175.10 175.63 1g7p s TYR 10 N 0.60 -0.56 0.20 5.22 1.13 -0.69 -4.67 117.35 118.58 1g7p s TYR 10 Ca -0.11 0.54 0.04 0.00 -1.41 0.00 0.00 57.07 56.13 1g7p s TYR 10 Cb -0.16 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 1g7p s TYR 10 CO 0.03 -0.76 0.32 -1.54 -2.51 0.00 0.00 175.55 171.09 1g7p s SER 11 N -2.28 6.29 0.12 -0.18 1.04 -1.26 -0.21 113.70 117.22 1g7p s SER 11 Ca -0.02 0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 1g7p s SER 11 Cb -0.01 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 1g7p s SER 11 CO -0.06 -0.01 1.54 -0.09 0.98 0.00 0.00 173.24 175.60 1g7p h ARG 12 N 1.65 0.68 -6.54 4.02 9.65 -1.44 -3.45 114.38 118.94 1g7p h ARG 12 Ca -0.50 -0.24 -0.64 0.00 -1.10 0.00 0.00 59.98 57.50 1g7p h ARG 12 Cb 1.21 -0.05 -0.16 0.00 -1.39 0.00 0.00 29.97 29.58 1g7p h ARG 12 CO 0.65 0.81 -0.77 -1.01 2.80 0.00 0.00 179.97 182.44 1g7p s HIS 13 N -4.89 2.48 0.25 2.20 3.76 -1.26 -5.03 115.29 112.79 1g7p s HIS 13 Ca -0.13 -0.29 -0.31 0.00 -0.15 0.00 0.00 55.06 54.19 1g7p s HIS 13 Cb 0.10 -1.23 -0.13 0.00 1.11 0.00 0.00 32.58 32.43 1g7p s HIS 13 CO 0.79 0.50 1.43 -2.30 -0.85 0.00 0.00 174.74 174.31 1g7p n PRO 14 N 0.21 2.15 -1.71 8.40 -0.02 -1.26 -4.83 135.00 137.94 1g7p n PRO 14 Ca -0.12 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1g7p n PRO 14 Cb 0.55 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1g7p n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1g7p n PRO 15 N 1.98 2.62 -3.60 0.52 -0.04 -1.26 -5.01 135.00 130.21 1g7p n PRO 15 Ca 0.11 0.94 -0.21 0.00 -0.04 0.00 0.00 63.50 64.30 1g7p n PRO 15 Cb 0.33 -2.75 -0.16 0.00 -0.04 0.00 0.00 33.50 30.88 1g7p n PRO 15 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1g7p s GLU 16 N 0.65 0.07 0.12 0.54 2.12 -1.26 -5.12 118.70 115.81 1g7p s GLU 16 Ca 0.73 0.21 -0.35 0.00 0.36 0.00 0.00 54.97 55.92 1g7p s GLU 16 Cb -0.54 -1.11 -0.14 0.00 0.26 0.00 0.00 34.13 32.60 1g7p s GLU 16 CO 0.38 -0.53 1.54 0.09 -0.54 0.00 0.00 175.26 176.20 1g7p n ASN 17 N 5.30 2.75 0.00 -1.70 3.02 -1.26 -2.00 115.26 121.37 1g7p n ASN 17 Ca -0.05 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1g7p n ASN 17 Cb 0.49 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1g7p n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g7p n GLY 18 N 3.26 1.18 3.48 7.41 0.00 -0.61 -5.02 105.19 114.90 1g7p n GLY 18 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1g7p n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g7p s LYS 19 N -0.60 3.53 0.37 1.61 1.02 -0.85 -4.99 119.74 119.84 1g7p s LYS 19 Ca 0.00 -0.56 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 1g7p s LYS 19 Cb 0.00 -2.82 -0.12 0.00 -0.52 0.00 0.00 37.83 34.36 1g7p s LYS 19 CO 0.00 0.27 0.82 -2.30 -0.92 0.00 0.00 175.35 173.23 1g7p n PRO 20 N 3.41 1.00 -2.28 -1.68 -0.02 -1.26 -4.25 135.00 129.93 1g7p n PRO 20 Ca -0.18 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1g7p n PRO 20 Cb 0.53 -1.75 -0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1g7p n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1g7p n ASN 21 N 1.03 -0.62 -3.91 2.55 2.85 0.13 -4.96 115.26 112.31 1g7p n ASN 21 Ca 0.11 -1.65 -0.20 0.00 -0.11 0.00 0.00 54.58 52.73 1g7p n ASN 21 Cb 0.37 1.10 -0.16 0.00 1.24 0.00 0.00 39.78 42.33 1g7p n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1g7p s ILE 22 N -2.61 0.57 -0.14 -1.44 1.01 -1.26 -1.42 121.20 115.90 1g7p s ILE 22 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1g7p s ILE 22 Cb -0.01 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1g7p s ILE 22 CO 0.06 0.22 0.05 -0.22 0.00 0.00 0.00 174.94 175.05 1g7p s LEU 23 N 0.73 3.79 0.05 2.97 2.96 0.17 -0.96 118.68 128.39 1g7p s LEU 23 Ca -0.10 0.15 0.09 0.00 -0.22 0.00 0.00 54.13 54.05 1g7p s LEU 23 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1g7p s LEU 23 CO 0.00 0.28 -0.24 0.20 -1.32 0.00 0.00 176.35 175.27 1g7p s ASN 24 N -0.26 2.93 -0.26 3.68 0.01 0.71 -1.60 114.94 120.16 1g7p s ASN 24 Ca 0.08 -0.57 -0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1g7p s ASN 24 Cb -0.12 -0.26 0.08 0.00 0.41 0.00 0.00 41.25 41.36 1g7p s ASN 24 CO 0.02 0.22 0.06 0.00 -1.51 0.00 0.00 177.10 175.89 1g7p s TYR 26 N 1.70 3.21 -0.24 0.00 5.04 0.23 -0.92 117.35 126.36 1g7p s TYR 26 Ca 0.04 0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.65 1g7p s TYR 26 Cb -0.17 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.75 1g7p s TYR 26 CO -0.17 -0.20 0.01 0.08 -1.34 0.00 0.00 175.55 173.93 1g7p s VAL 27 N 1.74 3.70 0.27 3.14 1.01 -0.31 -1.34 120.40 128.61 1g7p s VAL 27 Ca 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1g7p s VAL 27 Cb -0.16 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1g7p s VAL 27 CO 0.10 0.32 0.10 0.42 0.00 0.00 0.00 175.10 176.05 1g7p s THR 28 N 1.51 0.55 -1.46 3.92 -4.23 -0.07 -1.31 115.64 114.54 1g7p s THR 28 Ca 0.05 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1g7p s THR 28 Cb -0.15 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1g7p s THR 28 CO -0.00 0.00 0.84 0.00 -0.54 0.00 0.00 174.62 174.91 1g7p n GLN 29 N -0.49 -5.78 -4.33 3.99 6.02 -0.38 -0.39 117.38 116.02 1g7p n GLN 29 Ca 0.00 0.78 -0.23 0.00 -0.01 0.00 0.00 57.00 57.53 1g7p n GLN 29 Cb 0.66 -5.69 -0.08 0.00 1.02 0.00 0.00 30.24 26.15 1g7p n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1g7p s PHE 30 N -3.21 2.58 -0.29 1.08 -0.71 -1.11 -4.33 117.98 111.99 1g7p s PHE 30 Ca 0.47 -0.28 -0.21 0.00 -1.04 0.00 0.00 56.93 55.87 1g7p s PHE 30 Cb -0.22 -1.19 0.14 0.00 -1.21 0.00 0.00 43.02 40.54 1g7p s PHE 30 CO 0.58 0.62 1.08 -1.58 -1.34 0.00 0.00 175.22 174.57 1g7p s HIS 31 N -2.39 -0.44 1.12 3.49 2.46 -1.05 -0.65 115.29 117.83 1g7p s HIS 31 Ca 0.32 0.97 -0.13 0.00 0.47 0.00 0.00 55.06 56.69 1g7p s HIS 31 Cb -0.05 0.35 0.26 0.00 -0.13 0.00 0.00 32.58 33.01 1g7p s HIS 31 CO 0.19 -0.21 1.05 -2.14 -2.47 0.00 0.00 174.74 171.15 1g7p s PRO 32 N 0.67 -0.58 0.43 2.88 0.02 -1.26 -0.83 135.00 136.33 1g7p s PRO 32 Ca -0.02 0.76 0.23 0.00 0.02 0.00 0.00 61.00 61.99 1g7p s PRO 32 Cb -0.04 -1.60 0.92 0.00 0.02 0.00 0.00 34.50 33.80 1g7p s PRO 32 CO -0.11 -3.48 1.83 -1.00 -0.33 0.00 0.00 177.00 173.92 1g7p h PRO 33 N -2.44 0.00 -6.55 5.54 0.13 -2.00 -3.45 132.00 123.24 1g7p h PRO 33 Ca -0.60 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.01 1g7p h PRO 33 Cb 1.33 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.51 1g7p h PRO 33 CO 0.52 0.25 1.07 -1.58 -0.23 0.00 0.00 178.00 178.03 1g7p s HIS 34 N -3.72 2.39 -0.03 1.56 2.46 -1.26 -4.95 115.29 111.75 1g7p s HIS 34 Ca -0.00 0.12 -0.29 0.00 0.47 0.00 0.00 55.06 55.36 1g7p s HIS 34 Cb 0.11 -4.14 0.08 0.00 -0.13 0.00 0.00 32.58 28.50 1g7p s HIS 34 CO 0.64 -4.59 0.73 -1.50 -2.47 0.00 0.00 174.74 167.56 1g7p s ILE 35 N 2.28 0.00 -0.13 0.89 2.07 -1.26 -4.65 121.20 120.39 1g7p s ILE 35 Ca 0.78 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.05 1g7p s ILE 35 Cb -0.46 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.13 1g7p s ILE 35 CO 0.35 0.00 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.47 1g7p s GLU 36 N -1.78 3.07 -0.10 3.50 2.12 -0.55 -4.99 118.70 119.98 1g7p s GLU 36 Ca -0.06 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.45 1g7p s GLU 36 Cb -0.00 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.95 1g7p s GLU 36 CO 0.03 0.04 -0.12 0.42 -0.54 0.00 0.00 175.26 175.09 1g7p s ILE 37 N 0.71 1.26 -0.02 -3.70 1.01 -1.26 -1.12 121.20 118.08 1g7p s ILE 37 Ca -0.09 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1g7p s ILE 37 Cb -0.16 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1g7p s ILE 37 CO 0.01 0.40 -0.11 -1.10 0.00 0.00 0.00 174.94 174.13 1g7p s GLN 38 N 1.14 1.00 -0.13 2.79 -0.21 -0.24 -4.99 119.66 119.02 1g7p s GLN 38 Ca -0.05 -0.39 -0.06 0.00 0.02 0.00 0.00 55.36 54.89 1g7p s GLN 38 Cb -0.14 -0.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 1g7p s GLN 38 CO -0.03 0.20 0.09 -1.64 -2.12 0.00 0.00 175.29 171.79 1g7p s MET 39 N -0.09 3.48 -0.02 2.91 -1.94 -1.26 -0.15 119.30 122.23 1g7p s MET 39 Ca 0.01 -0.25 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 1g7p s MET 39 Cb -0.06 -3.11 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 1g7p s MET 39 CO 0.00 0.63 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.93 1g7p s LEU 40 N -0.62 2.04 -0.20 -0.03 1.43 0.57 -1.07 118.68 120.79 1g7p s LEU 40 Ca 0.12 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1g7p s LEU 40 Cb -0.12 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1g7p s LEU 40 CO 0.02 0.25 -0.16 -0.75 0.23 0.00 0.00 176.35 175.94 1g7p s LYS 41 N -0.48 2.91 -1.53 1.70 2.20 0.15 -1.30 119.74 123.40 1g7p s LYS 41 Ca 0.08 -0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 1g7p s LYS 41 Cb -0.08 -2.70 0.10 0.00 -1.51 0.00 0.00 37.83 33.64 1g7p s LYS 41 CO -0.01 -0.28 0.83 0.09 -0.36 0.00 0.00 175.35 175.62 1g7p n ASN 42 N 4.62 -4.34 0.00 1.43 3.02 0.91 -0.99 115.26 119.91 1g7p n ASN 42 Ca -0.19 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1g7p n ASN 42 Cb 0.49 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 1g7p n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g7p n GLY 43 N -1.51 0.74 3.46 7.41 0.00 -1.26 -5.02 105.19 109.00 1g7p n GLY 43 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1g7p n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g7p s LYS 44 N -0.10 2.78 0.28 1.61 2.20 -0.16 -5.05 119.74 121.30 1g7p s LYS 44 Ca 0.00 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 1g7p s LYS 44 Cb 0.00 -2.47 -0.12 0.00 -1.51 0.00 0.00 37.83 33.72 1g7p s LYS 44 CO 0.00 0.51 1.53 1.17 -0.36 0.00 0.00 175.35 178.20 1g7p n LYS 45 N 2.64 2.48 -2.98 4.03 4.81 -1.26 -0.67 118.16 127.21 1g7p n LYS 45 Ca -0.17 0.88 -0.41 0.00 -0.87 0.00 0.00 58.31 57.74 1g7p n LYS 45 Cb 0.52 -2.62 -0.05 0.00 0.02 0.00 0.00 35.03 32.90 1g7p n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1g7p s ILE 46 N -0.06 4.93 0.05 3.15 1.01 -0.23 -4.83 121.20 125.21 1g7p s ILE 46 Ca 0.65 1.45 -0.21 0.00 0.00 0.00 0.00 60.65 62.53 1g7p s ILE 46 Cb -0.54 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 37.76 1g7p s ILE 46 CO 0.49 0.05 1.33 1.55 0.00 0.00 0.00 174.94 178.36 1g7p h PRO 47 N 7.43 -0.63 -4.56 2.79 0.13 -1.92 -3.39 132.00 131.85 1g7p h PRO 47 Ca -0.29 0.04 -0.74 0.00 -0.87 0.00 0.00 66.00 64.14 1g7p h PRO 47 Cb 1.13 0.14 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 1g7p h PRO 47 CO 0.82 -0.42 0.99 0.21 -0.23 0.00 0.00 178.00 179.36 1g7p s LYS 48 N -4.69 3.95 -0.15 0.86 2.47 -1.26 -4.98 119.74 115.94 1g7p s LYS 48 Ca -0.11 -2.48 -0.04 0.00 -1.56 0.00 0.00 55.97 51.78 1g7p s LYS 48 Cb 0.02 -4.90 -0.03 0.00 -1.46 0.00 0.00 37.83 31.46 1g7p s LYS 48 CO 0.35 -1.65 -0.01 0.08 0.16 0.00 0.00 175.35 174.28 1g7p s VAL 49 N 1.28 4.13 -0.08 4.02 1.01 -1.26 -4.78 120.40 124.72 1g7p s VAL 49 Ca 0.36 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1g7p s VAL 49 Cb -0.05 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1g7p s VAL 49 CO -0.04 0.50 0.32 -1.61 0.00 0.00 0.00 175.10 174.27 1g7p s GLU 50 N 0.19 3.95 -0.17 2.72 2.02 -0.15 -4.91 118.70 122.35 1g7p s GLU 50 Ca -0.00 0.20 -0.06 0.00 0.02 0.00 0.00 54.97 55.13 1g7p s GLU 50 Cb -0.13 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1g7p s GLU 50 CO 0.02 0.53 0.02 -1.64 0.02 0.00 0.00 175.26 174.22 1g7p s MET 51 N -0.48 3.83 0.33 1.61 -1.94 -1.26 -1.00 119.30 120.40 1g7p s MET 51 Ca 0.20 -0.41 -0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1g7p s MET 51 Cb -0.14 -3.09 0.03 0.00 2.01 0.00 0.00 34.83 33.63 1g7p s MET 51 CO 0.08 0.28 0.56 -1.13 -0.01 0.00 0.00 175.02 174.81 1g7p n SER 52 N 3.46 -1.61 -3.96 3.03 3.41 0.31 -4.99 113.62 113.28 1g7p n SER 52 Ca -0.17 -2.57 -0.29 0.00 -0.26 0.00 0.00 58.87 55.58 1g7p n SER 52 Cb 0.52 2.81 0.00 0.00 -0.26 0.00 0.00 64.21 67.29 1g7p n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g7p n ASP 53 N -1.58 -2.70 -4.72 4.04 9.92 -1.26 -0.70 116.55 119.55 1g7p n ASP 53 Ca -0.03 -0.90 -0.41 0.00 -0.53 0.00 0.00 54.79 52.91 1g7p n ASP 53 Cb 0.53 -3.44 -0.04 0.00 -0.64 0.00 0.00 41.12 37.53 1g7p n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1g7p s MET 54 N -6.57 4.61 0.37 -1.24 1.75 -1.26 -4.16 119.30 112.80 1g7p s MET 54 Ca 0.40 1.51 -0.16 0.00 -1.25 0.00 0.00 55.69 56.20 1g7p s MET 54 Cb -0.21 -3.39 0.05 0.00 2.84 0.00 0.00 34.83 34.12 1g7p s MET 54 CO 0.87 0.05 0.79 -1.54 -0.65 0.00 0.00 175.02 174.54 1g7p s SER 55 N 0.46 -0.01 0.11 1.11 1.04 -0.40 -5.00 113.70 111.01 1g7p s SER 55 Ca 0.50 -1.10 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1g7p s SER 55 Cb -0.24 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1g7p s SER 55 CO 0.30 -1.65 -0.14 -0.36 0.98 0.00 0.00 173.24 172.37 1g7p s PHE 56 N -2.40 1.33 0.63 5.02 0.08 -1.26 -0.85 117.98 120.53 1g7p s PHE 56 Ca 0.15 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1g7p s PHE 56 Cb -0.05 -0.71 0.13 0.00 -0.57 0.00 0.00 43.02 41.82 1g7p s PHE 56 CO 0.11 0.11 0.86 -1.13 -0.10 0.00 0.00 175.22 175.07 1g7p n SER 57 N 0.67 1.00 0.27 1.36 3.41 -0.57 -4.92 113.62 114.85 1g7p n SER 57 Ca -0.17 -1.88 0.13 0.00 -0.26 0.00 0.00 58.87 56.69 1g7p n SER 57 Cb 0.57 -0.57 0.78 0.00 -0.26 0.00 0.00 64.21 64.72 1g7p n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1g7p h LYS 58 N 0.00 0.00 -0.57 4.33 2.10 -2.02 -0.95 116.57 119.46 1g7p h LYS 58 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1g7p h LYS 58 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1g7p h LYS 58 CO 0.29 0.08 0.00 -0.40 -2.00 0.00 0.00 179.45 177.42 1g7p n ASP 59 N -3.78 3.18 0.00 7.07 5.75 -1.26 -4.92 116.55 122.58 1g7p n ASP 59 Ca -0.02 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1g7p n ASP 59 Cb 0.18 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1g7p n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1g7p n TRP 60 N 0.78 0.00 -2.33 2.11 7.02 -0.36 -5.02 117.44 119.64 1g7p n TRP 60 Ca 0.17 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.30 1g7p n TRP 60 Cb 0.58 -0.59 -0.01 0.00 -2.42 0.00 0.00 31.31 28.87 1g7p n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1g7p s SER 61 N -2.39 5.95 0.31 -0.99 1.04 -1.26 -4.67 113.70 111.70 1g7p s SER 61 Ca 0.00 2.14 -0.16 0.00 0.48 0.00 0.00 55.95 58.41 1g7p s SER 61 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.45 1g7p s SER 61 CO 0.00 -1.06 0.75 -0.36 0.98 0.00 0.00 173.24 173.55 1g7p s PHE 62 N -1.77 3.41 -0.01 5.02 0.40 0.17 -1.50 117.98 123.70 1g7p s PHE 62 Ca 0.70 1.28 0.02 0.00 -0.60 0.00 0.00 56.93 58.32 1g7p s PHE 62 Cb -0.23 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 40.73 1g7p s PHE 62 CO 0.27 0.12 -0.05 0.71 0.70 0.00 0.00 175.22 176.96 1g7p s TYR 63 N -1.92 0.52 -0.14 0.36 1.51 -0.03 -1.25 117.35 116.41 1g7p s TYR 63 Ca 0.53 -0.10 -0.26 0.00 -1.01 0.00 0.00 57.07 56.22 1g7p s TYR 63 Cb -0.11 -0.36 0.06 0.00 -0.11 0.00 0.00 41.96 41.44 1g7p s TYR 63 CO 0.18 -0.03 0.65 -1.50 -1.11 0.00 0.00 175.55 173.74 1g7p s ILE 64 N -0.02 0.00 -0.09 2.71 2.07 -0.43 -1.27 121.20 124.17 1g7p s ILE 64 Ca 0.01 -0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1g7p s ILE 64 Cb -0.03 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1g7p s ILE 64 CO -0.00 -0.02 -0.07 -0.22 -1.91 0.00 0.00 174.94 172.72 1g7p s LEU 65 N -0.50 3.12 -0.09 8.50 2.96 0.12 -1.16 118.68 131.63 1g7p s LEU 65 Ca -0.06 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1g7p s LEU 65 Cb -0.02 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1g7p s LEU 65 CO 0.06 0.30 -0.18 0.00 -1.32 0.00 0.00 176.35 175.21 1g7p s ALA 66 N -0.46 2.43 0.06 5.97 0.00 -0.10 -0.53 121.76 129.14 1g7p s ALA 66 Ca 0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1g7p s ALA 66 Cb -0.12 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1g7p s ALA 66 CO 0.02 0.36 0.35 -3.38 0.00 0.00 0.00 175.76 173.10 1g7p s HIS 67 N 0.02 -0.15 -0.03 0.00 -3.43 -0.17 -0.38 115.29 111.15 1g7p s HIS 67 Ca -0.06 -0.00 -0.22 0.00 -0.80 0.00 0.00 55.06 53.97 1g7p s HIS 67 Cb -0.15 0.15 0.04 0.00 -1.43 0.00 0.00 32.58 31.20 1g7p s HIS 67 CO 0.05 -0.56 0.48 -0.08 -2.00 0.00 0.00 174.74 172.63 1g7p s THR 68 N -2.84 0.03 0.39 -5.38 -1.32 -0.63 -0.98 115.64 104.91 1g7p s THR 68 Ca -0.03 -0.26 -0.24 0.00 -1.21 0.00 0.00 61.69 59.95 1g7p s THR 68 Cb 0.00 -0.80 -0.10 0.00 -1.51 0.00 0.00 72.50 70.10 1g7p s THR 68 CO -0.05 -0.14 0.99 -1.61 -2.21 0.00 0.00 174.62 171.60 1g7p s GLU 69 N -1.31 4.27 -0.01 7.08 2.02 -1.26 -0.66 118.70 128.84 1g7p s GLU 69 Ca -0.12 1.36 -0.28 0.00 0.02 0.00 0.00 54.97 55.94 1g7p s GLU 69 Cb -0.03 -2.50 0.09 0.00 0.10 0.00 0.00 34.13 31.80 1g7p s GLU 69 CO 0.07 -0.01 0.81 -0.59 0.02 0.00 0.00 175.26 175.55 1g7p s PHE 70 N -1.79 -0.45 -0.31 1.61 -0.71 -0.51 -4.86 117.98 110.95 1g7p s PHE 70 Ca 0.57 0.50 0.02 0.00 -1.04 0.00 0.00 56.93 56.98 1g7p s PHE 70 Cb -0.18 0.50 0.08 0.00 -1.21 0.00 0.00 43.02 42.21 1g7p s PHE 70 CO 0.22 -0.58 -0.00 0.99 -1.34 0.00 0.00 175.22 174.51 1g7p s THR 71 N -2.47 2.45 0.52 -4.49 2.01 -1.26 0.17 115.64 112.58 1g7p s THR 71 Ca -0.00 -1.90 -0.22 0.00 0.31 0.00 0.00 61.69 59.87 1g7p s THR 71 Cb -0.01 -2.60 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 1g7p s THR 71 CO -0.04 -0.32 1.19 -0.81 -0.69 0.00 0.00 174.62 173.95 1g7p n PRO 72 N 4.41 1.48 -4.32 4.92 -0.04 -1.26 -4.74 135.00 135.45 1g7p n PRO 72 Ca -0.06 0.54 -0.17 0.00 -0.04 0.00 0.00 63.50 63.77 1g7p n PRO 72 Cb 0.42 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.42 1g7p n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1g7p s THR 73 N -1.33 1.43 0.32 0.52 2.01 -1.26 -1.57 115.64 115.76 1g7p s THR 73 Ca 0.70 -2.13 0.02 0.00 0.31 0.00 0.00 61.69 60.59 1g7p s THR 73 Cb -0.45 -2.04 0.18 0.00 0.01 0.00 0.00 72.50 70.19 1g7p s THR 73 CO 0.51 -0.59 1.88 -0.08 -0.69 0.00 0.00 174.62 175.65 1g7p h GLU 74 N 2.61 0.69 0.00 4.92 4.81 -1.97 -3.25 114.58 122.38 1g7p h GLU 74 Ca -0.38 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 58.60 1g7p h GLU 74 Cb 1.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1g7p h GLU 74 CO 0.63 0.62 -1.55 -2.37 -0.73 0.00 0.00 179.01 175.62 1g7p n THR 75 N -4.31 0.91 -2.20 0.32 5.66 -1.26 -4.97 114.28 108.43 1g7p n THR 75 Ca 0.03 -0.65 -0.41 0.00 -3.05 0.00 0.00 64.05 59.97 1g7p n THR 75 Cb 0.20 -0.51 -0.03 0.00 -1.55 0.00 0.00 70.33 68.44 1g7p n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1g7p s ASP 76 N -5.46 6.89 -0.01 1.09 1.01 -1.23 -5.04 116.67 113.92 1g7p s ASP 76 Ca -0.04 2.56 0.05 0.00 0.71 0.00 0.00 52.55 55.83 1g7p s ASP 76 Cb 0.09 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1g7p s ASP 76 CO 0.83 -0.45 -0.16 -0.89 0.21 0.00 0.00 175.17 174.70 1g7p s THR 77 N -0.96 2.89 0.06 -1.27 2.01 -1.26 -4.78 115.64 112.34 1g7p s THR 77 Ca 0.49 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1g7p s THR 77 Cb -0.38 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1g7p s THR 77 CO 0.48 0.48 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.44 1g7p s TYR 78 N -0.81 1.25 0.27 4.92 1.51 -1.26 -0.06 117.35 123.17 1g7p s TYR 78 Ca 0.13 -0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 1g7p s TYR 78 Cb -0.11 -0.72 0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1g7p s TYR 78 CO 0.03 0.06 0.58 0.00 -1.11 0.00 0.00 175.55 175.10 1g7p s ALA 79 N -1.11 -0.56 -0.07 3.71 0.00 -0.42 -1.19 121.76 122.11 1g7p s ALA 79 Ca -0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1g7p s ALA 79 Cb -0.09 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1g7p s ALA 79 CO 0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 175.76 174.74 1g7p s ARG 81 N 0.85 3.37 -0.04 0.00 3.52 0.78 -0.67 118.95 126.77 1g7p s ARG 81 Ca -0.11 -0.69 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 1g7p s ARG 81 Cb -0.15 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 1g7p s ARG 81 CO 0.01 0.16 -0.18 0.08 -0.81 0.00 0.00 175.30 174.57 1g7p s VAL 82 N 0.48 1.50 -0.14 7.11 1.01 0.39 -1.08 120.40 129.67 1g7p s VAL 82 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1g7p s VAL 82 Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1g7p s VAL 82 CO 0.04 0.43 -0.20 -0.54 0.00 0.00 0.00 175.10 174.83 1g7p s LYS 83 N -0.07 3.09 -0.03 2.72 1.02 -0.28 -0.98 119.74 125.21 1g7p s LYS 83 Ca -0.02 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 55.01 1g7p s LYS 83 Cb -0.11 -2.49 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1g7p s LYS 83 CO 0.02 0.01 0.31 -1.58 -0.92 0.00 0.00 175.35 173.18 1g7p s HIS 84 N 0.79 -0.21 0.62 3.18 2.46 -1.26 -1.48 115.29 119.39 1g7p s HIS 84 Ca -0.07 0.37 0.32 0.00 0.47 0.00 0.00 55.06 56.15 1g7p s HIS 84 Cb -0.16 0.10 1.78 0.00 -0.13 0.00 0.00 32.58 34.17 1g7p s HIS 84 CO -0.01 -0.35 2.09 -0.44 -2.47 0.00 0.00 174.74 173.56 1g7p h ASP 85 N 4.20 0.00 0.73 9.88 3.32 -1.95 -1.07 116.42 131.53 1g7p h ASP 85 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1g7p h ASP 85 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1g7p h ASP 85 CO 0.38 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 1g7p n SER 86 N -3.43 0.18 -4.26 6.45 3.41 -1.26 -4.71 113.62 110.00 1g7p n SER 86 Ca 0.00 0.53 -0.28 0.00 -0.26 0.00 0.00 58.87 58.87 1g7p n SER 86 Cb 0.32 -0.58 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 1g7p n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1g7p s MET 87 N -3.06 1.77 0.05 4.33 -1.94 -0.41 -4.94 119.30 115.09 1g7p s MET 87 Ca 0.08 -0.84 -0.21 0.00 -1.71 0.00 0.00 55.69 53.01 1g7p s MET 87 Cb 0.12 -1.74 -0.13 0.00 2.01 0.00 0.00 34.83 35.08 1g7p s MET 87 CO 0.37 0.47 1.42 0.00 -0.01 0.00 0.00 175.02 177.28 1g7p h ALA 88 N 5.44 0.20 -2.36 3.03 0.00 -1.84 -3.43 119.26 120.30 1g7p h ALA 88 Ca -0.41 -0.25 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 1g7p h ALA 88 Cb 1.14 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1g7p h ALA 88 CO 0.47 -0.03 -0.74 -1.21 0.00 0.00 0.00 179.25 177.74 1g7p s GLU 89 N -4.67 1.80 0.55 0.00 0.41 -1.26 -5.08 118.70 110.45 1g7p s GLU 89 Ca -0.14 -1.65 -0.21 0.00 -0.41 0.00 0.00 54.97 52.56 1g7p s GLU 89 Cb 0.05 -1.87 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 1g7p s GLU 89 CO 0.73 0.35 1.27 -1.25 -0.49 0.00 0.00 175.26 175.87 1g7p s PRO 90 N -3.41 3.15 -0.15 0.39 0.04 -1.26 -4.89 135.00 128.86 1g7p s PRO 90 Ca 0.29 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 1g7p s PRO 90 Cb -0.06 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1g7p s PRO 90 CO 0.15 -1.11 -0.03 0.21 0.04 0.00 0.00 177.00 176.26 1g7p s LYS 91 N -3.04 3.68 -0.18 4.56 2.20 -0.15 -4.92 119.74 121.89 1g7p s LYS 91 Ca 0.73 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1g7p s LYS 91 Cb -0.35 -2.92 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1g7p s LYS 91 CO 0.40 0.25 -0.09 0.99 -0.36 0.00 0.00 175.35 176.54 1g7p s THR 92 N 0.34 3.21 -0.17 3.43 2.01 -1.26 -0.46 115.64 122.74 1g7p s THR 92 Ca -0.04 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1g7p s THR 92 Cb -0.14 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.96 1g7p s THR 92 CO 0.03 0.48 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 1g7p s VAL 93 N 0.92 2.93 0.21 3.82 1.01 0.16 -4.95 120.40 124.51 1g7p s VAL 93 Ca -0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1g7p s VAL 93 Cb -0.15 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 1g7p s VAL 93 CO 0.00 0.49 0.60 -0.31 0.00 0.00 0.00 175.10 175.88 1g7p s TYR 94 N 0.97 3.50 -0.03 5.22 2.02 -1.26 -0.73 117.35 127.05 1g7p s TYR 94 Ca -0.02 1.05 -0.30 0.00 -0.37 0.00 0.00 57.07 57.43 1g7p s TYR 94 Cb -0.15 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1g7p s TYR 94 CO -0.01 0.30 1.25 -0.46 -1.57 0.00 0.00 175.55 175.06 1g7p s TRP 95 N -1.69 3.14 -0.50 2.71 -0.00 -0.33 -4.87 118.94 117.39 1g7p s TRP 95 Ca 0.45 1.13 -0.07 0.00 -0.00 0.00 0.00 56.10 57.60 1g7p s TRP 95 Cb -0.13 -3.48 0.13 0.00 -0.00 0.00 0.00 33.47 29.99 1g7p s TRP 95 CO 0.20 -1.59 0.36 0.34 -0.00 0.00 0.00 176.95 176.26 1g7p s ASP 96 N 1.52 5.63 0.56 5.86 -1.08 -1.26 -4.80 116.67 123.10 1g7p s ASP 96 Ca 0.58 -2.12 0.36 0.00 -0.52 0.00 0.00 52.55 50.86 1g7p s ASP 96 Cb -0.27 -1.97 1.98 0.00 -1.46 0.00 0.00 42.92 41.20 1g7p s ASP 96 CO 0.24 -0.62 2.11 0.03 0.52 0.00 0.00 175.17 177.46 1g7p h ARG 97 N 8.14 0.00 -0.15 4.34 3.08 -1.97 -2.59 114.38 125.23 1g7p h ARG 97 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1g7p h ARG 97 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1g7p h ARG 97 CO 0.81 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.46 1g7p n ASP 98 N -2.80 2.72 0.00 7.04 8.00 -1.26 -4.83 116.55 125.42 1g7p n ASP 98 Ca -0.02 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1g7p n ASP 98 Cb 0.08 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1g7p n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61