#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gr7 s SER 4 N 0.00 1.33 0.02 -3.46 1.04 -1.26 -1.33 113.70 110.04 1gr7 s SER 4 Ca 0.00 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.19 1gr7 s SER 4 Cb 0.00 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1gr7 s SER 4 CO 0.00 -0.59 0.02 0.54 0.98 0.00 0.00 173.24 174.19 1gr7 s VAL 5 N -3.63 0.11 -0.20 5.02 0.11 0.31 -4.92 120.40 117.20 1gr7 s VAL 5 Ca 0.28 -0.94 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1gr7 s VAL 5 Cb 0.06 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1gr7 s VAL 5 CO 0.07 -0.52 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.47 1gr7 s ASP 6 N -1.60 4.43 -0.03 3.54 -0.00 -1.26 -1.15 116.67 120.60 1gr7 s ASP 6 Ca -0.13 -0.33 0.06 0.00 -0.00 0.00 0.00 52.55 52.15 1gr7 s ASP 6 Cb -0.07 -1.75 -0.01 0.00 -0.00 0.00 0.00 42.92 41.08 1gr7 s ASP 6 CO -0.01 0.03 -0.21 -0.63 -0.00 0.00 0.00 175.17 174.34 1gr7 s ILE 7 N 1.20 1.71 -0.05 0.77 1.01 -0.31 -4.98 121.20 120.54 1gr7 s ILE 7 Ca 0.02 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1gr7 s ILE 7 Cb -0.14 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1gr7 s ILE 7 CO -0.01 0.48 -0.16 -1.10 0.00 0.00 0.00 174.94 174.16 1gr7 s GLN 8 N -0.37 2.55 -0.14 2.79 -0.21 -1.26 -1.43 119.66 121.59 1gr7 s GLN 8 Ca 0.05 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.72 1gr7 s GLN 8 Cb -0.10 -2.36 0.01 0.00 1.00 0.00 0.00 33.01 31.56 1gr7 s GLN 8 CO 0.00 0.57 -0.20 0.20 -2.12 0.00 0.00 175.29 173.75 1gr7 s GLY 9 N -0.60 1.29 0.00 3.09 0.00 -0.45 -1.21 107.32 109.44 1gr7 s GLY 9 Ca 0.09 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1gr7 s GLY 9 CO 0.01 0.12 0.00 1.16 0.00 0.00 0.00 173.10 174.39 1gr7 n ASN 10 N 4.25 0.40 -0.02 1.64 0.23 -1.04 -3.61 115.26 117.11 1gr7 n ASN 10 Ca -0.20 -0.84 0.14 0.00 -0.53 0.00 0.00 54.58 53.15 1gr7 n ASN 10 Cb 0.51 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.76 1gr7 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1gr7 n ASP 11 N -2.19 0.19 -1.68 0.53 8.00 -1.26 -3.11 116.55 117.04 1gr7 n ASP 11 Ca 0.00 0.07 0.04 0.00 0.71 0.00 0.00 54.79 55.62 1gr7 n ASP 11 Cb 0.00 -0.23 0.33 0.00 -0.02 0.00 0.00 41.12 41.19 1gr7 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gr7 n GLN 12 N -1.38 4.14 -3.79 -1.24 6.02 -1.26 -4.97 117.38 114.91 1gr7 n GLN 12 Ca 0.09 -2.62 -0.25 0.00 -0.01 0.00 0.00 57.00 54.21 1gr7 n GLN 12 Cb 0.32 -2.13 0.03 0.00 1.02 0.00 0.00 30.24 29.47 1gr7 n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1gr7 n MET 13 N 0.45 -5.30 -3.98 -1.09 1.56 -1.18 -5.01 117.12 102.57 1gr7 n MET 13 Ca 0.25 0.62 -0.10 0.00 -0.27 0.00 0.00 57.70 58.19 1gr7 n MET 13 Cb 1.07 -5.34 -0.12 0.00 2.15 0.00 0.00 33.22 30.98 1gr7 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1gr7 s GLN 14 N -6.26 0.29 0.48 2.12 -0.21 -1.26 -4.25 119.66 110.57 1gr7 s GLN 14 Ca 0.30 -0.54 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 1gr7 s GLN 14 Cb -0.15 0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.86 1gr7 s GLN 14 CO 0.82 -0.03 0.82 -0.06 -2.12 0.00 0.00 175.29 174.71 1gr7 s PHE 15 N -1.23 3.55 -1.34 0.91 2.99 -1.26 -2.50 117.98 119.10 1gr7 s PHE 15 Ca -0.13 0.93 0.29 0.00 0.00 0.00 0.00 56.93 58.03 1gr7 s PHE 15 Cb -0.09 -2.39 1.33 0.00 0.00 0.00 0.00 43.02 41.88 1gr7 s PHE 15 CO -0.01 -0.30 1.95 0.27 -0.00 0.00 0.00 175.22 177.13 1gr7 n ASN 16 N -2.11 0.13 -3.87 1.36 6.94 -0.35 -4.81 115.26 112.54 1gr7 n ASN 16 Ca 0.02 -0.08 -0.11 0.00 -0.02 0.00 0.00 54.58 54.38 1gr7 n ASN 16 Cb 0.55 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 37.60 1gr7 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1gr7 s THR 17 N -2.68 0.08 -0.03 5.53 -1.32 -1.26 -5.00 115.64 110.95 1gr7 s THR 17 Ca 0.24 -0.63 0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1gr7 s THR 17 Cb 0.20 -0.40 0.07 0.00 -1.51 0.00 0.00 72.50 70.86 1gr7 s THR 17 CO 0.49 -0.35 1.03 0.59 -2.21 0.00 0.00 174.62 174.17 1gr7 n ASN 18 N 1.63 2.03 -3.66 8.08 4.13 -1.26 -4.81 115.26 121.39 1gr7 n ASN 18 Ca -0.22 -2.25 -0.08 0.00 1.68 0.00 0.00 54.58 53.72 1gr7 n ASN 18 Cb 0.56 -0.11 -0.09 0.00 -1.54 0.00 0.00 39.78 38.61 1gr7 n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gr7 s ALA 19 N -1.44 -1.41 0.00 5.41 0.00 -1.26 -0.81 121.76 122.26 1gr7 s ALA 19 Ca 0.08 1.83 0.06 0.00 0.00 0.00 0.00 51.96 53.93 1gr7 s ALA 19 Cb 0.07 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1gr7 s ALA 19 CO 0.01 -0.55 -0.18 0.42 0.00 0.00 0.00 175.76 175.45 1gr7 s ILE 20 N 2.08 1.42 -0.10 0.00 1.01 -0.37 -4.97 121.20 120.27 1gr7 s ILE 20 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1gr7 s ILE 20 Cb -0.09 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1gr7 s ILE 20 CO -0.15 0.33 -0.16 -0.89 0.00 0.00 0.00 174.94 174.07 1gr7 s THR 21 N -0.52 1.49 -0.18 2.92 2.01 -1.26 -2.02 115.64 118.08 1gr7 s THR 21 Ca 0.06 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1gr7 s THR 21 Cb -0.07 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1gr7 s THR 21 CO -0.00 0.44 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.64 1gr7 s VAL 22 N 0.83 3.64 0.02 3.82 1.01 0.17 -4.96 120.40 124.93 1gr7 s VAL 22 Ca -0.10 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1gr7 s VAL 22 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1gr7 s VAL 22 CO 0.01 0.46 1.24 -0.62 0.00 0.00 0.00 175.10 176.19 1gr7 s ASP 23 N 0.86 7.02 0.00 3.32 -1.08 -1.26 -1.41 116.67 124.11 1gr7 s ASP 23 Ca -0.01 1.99 0.14 0.00 -0.52 0.00 0.00 52.55 54.15 1gr7 s ASP 23 Cb -0.15 -2.57 0.65 0.00 -1.46 0.00 0.00 42.92 39.39 1gr7 s ASP 23 CO 0.01 -0.55 1.43 2.29 0.52 0.00 0.00 175.17 178.87 1gr7 n LYS 24 N 4.49 0.08 -1.41 4.34 2.85 -1.26 -4.86 118.16 122.39 1gr7 n LYS 24 Ca 0.10 0.22 -0.40 0.00 -1.05 0.00 0.00 58.31 57.18 1gr7 n LYS 24 Cb 0.46 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.31 1gr7 n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1gr7 n SER 25 N -1.41 7.75 0.00 -5.58 3.41 -1.26 -4.98 113.62 111.55 1gr7 n SER 25 Ca 0.05 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 1gr7 n SER 25 Cb 0.14 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 1gr7 n SER 25 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1gr7 n LYS 27 N 4.07 0.52 -4.17 4.33 4.81 -1.26 -5.20 118.16 121.27 1gr7 n LYS 27 Ca 0.73 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 58.05 1gr7 n LYS 27 Cb 0.26 -0.71 -0.10 0.00 0.02 0.00 0.00 35.03 34.50 1gr7 n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1gr7 s GLN 28 N -1.41 0.82 -0.00 1.64 -0.21 -1.26 -0.95 119.66 118.28 1gr7 s GLN 28 Ca 0.00 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.14 1gr7 s GLN 28 Cb 0.00 -0.30 -0.00 0.00 1.00 0.00 0.00 33.01 33.70 1gr7 s GLN 28 CO 0.00 0.01 -0.02 0.12 -2.12 0.00 0.00 175.29 173.28 1gr7 s PHE 29 N -3.14 0.21 -0.08 0.91 2.19 -0.55 -4.84 117.98 112.68 1gr7 s PHE 29 Ca 0.09 -0.04 0.04 0.00 0.33 0.00 0.00 56.93 57.35 1gr7 s PHE 29 Cb 0.02 -0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.59 1gr7 s PHE 29 CO -0.03 -0.01 -0.20 0.99 1.83 0.00 0.00 175.22 177.80 1gr7 s THR 30 N -0.03 1.74 -0.20 0.12 2.01 -0.45 -1.19 115.64 117.64 1gr7 s THR 30 Ca 0.01 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 1gr7 s THR 30 Cb -0.01 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1gr7 s THR 30 CO -0.00 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 1gr7 s VAL 31 N 0.29 3.21 -0.26 3.82 1.01 0.25 -0.53 120.40 128.19 1gr7 s VAL 31 Ca -0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1gr7 s VAL 31 Cb -0.16 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1gr7 s VAL 31 CO 0.06 0.45 0.10 0.20 0.00 0.00 0.00 175.10 175.91 1gr7 s ASN 32 N 1.30 5.37 -0.12 3.32 0.01 -0.30 -1.01 114.94 123.51 1gr7 s ASN 32 Ca 0.04 -0.21 -0.03 0.00 -0.71 0.00 0.00 52.86 51.95 1gr7 s ASN 32 Cb -0.14 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 1gr7 s ASN 32 CO -0.03 -0.06 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.27 1gr7 s LEU 33 N 1.64 3.49 0.21 0.60 2.96 0.36 -1.16 118.68 126.77 1gr7 s LEU 33 Ca 0.06 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1gr7 s LEU 33 Cb -0.16 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1gr7 s LEU 33 CO 0.05 0.29 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.40 1gr7 s SER 34 N -0.36 1.81 -0.42 3.68 1.04 -0.52 -1.34 113.70 117.59 1gr7 s SER 34 Ca 0.07 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.36 1gr7 s SER 34 Cb -0.12 0.01 0.14 0.00 0.10 0.00 0.00 66.02 66.14 1gr7 s SER 34 CO 0.02 -0.46 0.24 -2.28 0.98 0.00 0.00 173.24 171.74 1gr7 s HIS 35 N -3.40 1.60 1.01 5.02 2.46 -1.18 -1.35 115.29 119.45 1gr7 s HIS 35 Ca 0.25 -2.20 -0.11 0.00 0.47 0.00 0.00 55.06 53.46 1gr7 s HIS 35 Cb 0.05 -1.58 0.20 0.00 -0.13 0.00 0.00 32.58 31.12 1gr7 s HIS 35 CO 0.06 -0.79 1.08 -2.14 -2.47 0.00 0.00 174.74 170.48 1gr7 s PRO 36 N 0.51 0.32 0.00 2.88 0.02 -1.24 -1.23 135.00 136.27 1gr7 s PRO 36 Ca 0.19 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1gr7 s PRO 36 Cb -0.22 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1gr7 s PRO 36 CO -0.01 -2.95 0.00 0.41 -0.33 0.00 0.00 177.00 174.12 1gr7 n GLY 37 N 0.07 -0.51 0.00 0.52 0.00 -1.26 -4.00 105.19 100.01 1gr7 n GLY 37 Ca 0.07 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1gr7 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gr7 n ASN 38 N 0.00 0.06 -4.77 1.61 4.13 -1.26 -4.52 115.26 110.50 1gr7 n ASN 38 Ca 0.00 -0.23 -0.38 0.00 1.68 0.00 0.00 54.58 55.65 1gr7 n ASN 38 Cb 0.00 0.48 -0.05 0.00 -1.54 0.00 0.00 39.78 38.66 1gr7 n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1gr7 s LEU 39 N -0.96 4.35 0.66 3.41 1.43 -1.26 -4.84 118.68 121.47 1gr7 s LEU 39 Ca 0.00 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1gr7 s LEU 39 Cb 0.00 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.26 1gr7 s LEU 39 CO 0.00 -0.20 1.05 -2.16 0.23 0.00 0.00 176.35 175.27 1gr7 s PRO 40 N -1.97 3.22 0.34 1.29 0.04 -1.26 -2.01 135.00 134.65 1gr7 s PRO 40 Ca 0.50 0.87 0.14 0.00 0.04 0.00 0.00 61.00 62.56 1gr7 s PRO 40 Cb -0.23 -2.03 1.07 0.00 0.04 0.00 0.00 34.50 33.35 1gr7 s PRO 40 CO 0.30 -0.87 1.68 -0.22 0.04 0.00 0.00 177.00 177.92 1gr7 h LYS 41 N -0.55 0.36 0.00 4.56 3.64 -1.86 -0.33 116.57 122.39 1gr7 h LYS 41 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1gr7 h LYS 41 Cb 1.20 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1gr7 h LYS 41 CO 0.59 0.24 0.00 -2.95 -2.27 0.00 0.00 179.45 175.06 1gr7 h ASN 42 N 0.37 0.00 0.00 4.20 7.08 -1.94 -1.60 115.58 123.69 1gr7 h ASN 42 Ca 0.72 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.70 1gr7 h ASN 42 Cb 1.62 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.82 1gr7 h ASN 42 CO -0.56 0.00 -1.88 0.52 -2.08 0.00 0.00 177.43 173.43 1gr7 n VAL 43 N -2.87 0.89 -2.73 6.14 0.31 -0.53 -4.78 118.33 114.77 1gr7 n VAL 43 Ca 0.02 -0.37 -0.06 0.00 -0.01 0.00 0.00 64.34 63.92 1gr7 n VAL 43 Cb 0.32 -0.99 0.04 0.00 -0.91 0.00 0.00 33.84 32.29 1gr7 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1gr7 n MET 44 N -2.88 1.43 -2.37 5.55 1.56 -0.25 -5.02 117.12 115.14 1gr7 n MET 44 Ca -0.26 -3.38 -0.39 0.00 -0.27 0.00 0.00 57.70 53.40 1gr7 n MET 44 Cb 0.81 -1.41 -0.03 0.00 2.15 0.00 0.00 33.22 34.74 1gr7 n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1gr7 s GLY 45 N -3.41 2.92 -0.01 -5.12 0.00 -0.60 -4.78 107.32 96.31 1gr7 s GLY 45 Ca 0.27 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.95 1gr7 s GLY 45 CO 0.00 1.47 -0.07 0.30 0.00 0.00 0.00 173.10 174.81 1gr7 s HIS 46 N -1.35 0.72 0.41 1.90 3.76 -0.52 -4.64 115.29 115.56 1gr7 s HIS 46 Ca 0.53 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.32 1gr7 s HIS 46 Cb -0.31 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.84 1gr7 s HIS 46 CO 0.39 -0.05 0.04 0.54 -0.85 0.00 0.00 174.74 174.82 1gr7 s ASN 47 N 0.04 3.27 -0.20 1.40 2.20 -1.26 -0.74 114.94 119.64 1gr7 s ASN 47 Ca -0.00 -1.49 0.01 0.00 -0.94 0.00 0.00 52.86 50.44 1gr7 s ASN 47 Cb -0.05 0.07 0.03 0.00 -2.00 0.00 0.00 41.25 39.30 1gr7 s ASN 47 CO -0.00 -0.68 -0.16 0.86 -2.94 0.00 0.00 177.10 174.18 1gr7 s TRP 48 N -3.02 2.80 -0.04 1.54 -0.00 -1.26 -3.94 118.94 115.02 1gr7 s TRP 48 Ca 0.27 -1.76 0.04 0.00 -0.00 0.00 0.00 56.10 54.64 1gr7 s TRP 48 Cb 0.06 -1.86 -0.00 0.00 -0.00 0.00 0.00 33.47 31.67 1gr7 s TRP 48 CO 0.13 -0.81 -0.14 0.08 -0.00 0.00 0.00 176.95 176.22 1gr7 s VAL 49 N 1.28 1.17 -0.12 5.86 1.01 0.02 -1.54 120.40 128.08 1gr7 s VAL 49 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1gr7 s VAL 49 Cb -0.15 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1gr7 s VAL 49 CO -0.10 0.35 -0.20 -0.22 0.00 0.00 0.00 175.10 174.92 1gr7 s LEU 50 N 0.08 2.30 0.30 3.92 2.96 -0.66 -0.83 118.68 126.75 1gr7 s LEU 50 Ca -0.03 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1gr7 s LEU 50 Cb -0.10 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1gr7 s LEU 50 CO 0.01 0.13 0.39 -0.94 -1.32 0.00 0.00 176.35 174.62 1gr7 s SER 51 N 0.51 0.66 0.75 3.68 1.04 -0.85 -1.00 113.70 118.49 1gr7 s SER 51 Ca -0.13 -1.39 -0.12 0.00 0.48 0.00 0.00 55.95 54.80 1gr7 s SER 51 Cb -0.17 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1gr7 s SER 51 CO 0.05 -1.15 1.10 0.42 0.98 0.00 0.00 173.24 174.64 1gr7 s THR 52 N -3.51 3.22 0.34 2.02 -4.23 -1.26 -1.27 115.64 110.95 1gr7 s THR 52 Ca 0.32 0.44 0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1gr7 s THR 52 Cb 0.01 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 71.21 1gr7 s THR 52 CO 0.17 -0.47 1.97 0.00 -0.54 0.00 0.00 174.62 175.75 1gr7 h ALA 53 N -0.83 1.59 0.00 3.99 0.00 -1.51 -1.76 119.26 120.74 1gr7 h ALA 53 Ca -0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1gr7 h ALA 53 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1gr7 h ALA 53 CO 0.52 0.32 -0.25 0.00 0.00 0.00 0.00 179.25 179.84 1gr7 h ALA 54 N 1.57 1.18 0.00 0.00 0.00 -1.91 -3.12 119.26 116.99 1gr7 h ALA 54 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gr7 h ALA 54 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gr7 h ALA 54 CO -0.09 0.31 -0.63 -0.25 0.00 0.00 0.00 179.25 178.59 1gr7 n ASP 55 N -3.65 0.61 -0.04 0.00 8.00 -0.69 -4.54 116.55 116.23 1gr7 n ASP 55 Ca -0.01 -0.37 -0.08 0.00 0.71 0.00 0.00 54.79 55.04 1gr7 n ASP 55 Cb 0.37 0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.87 1gr7 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1gr7 h MET 56 N 0.00 -0.15 -0.89 -1.24 1.85 -1.41 -2.15 114.93 110.94 1gr7 h MET 56 Ca 0.00 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1gr7 h MET 56 Cb 0.52 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.54 1gr7 h MET 56 CO 0.00 -0.10 0.58 0.37 -0.40 0.00 0.00 176.91 177.36 1gr7 h GLN 57 N -0.16 1.12 -0.54 0.39 5.75 -1.81 -0.52 115.11 119.34 1gr7 h GLN 57 Ca 0.12 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1gr7 h GLN 57 Cb 0.35 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1gr7 h GLN 57 CO -0.31 0.74 -0.04 0.78 -2.65 0.00 0.00 178.83 177.36 1gr7 h GLY 58 N 1.15 1.03 0.90 2.39 0.00 -1.76 -0.26 103.07 106.53 1gr7 h GLY 58 Ca 0.34 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1gr7 h GLY 58 CO -0.10 0.70 0.08 -2.08 0.00 0.00 0.00 176.54 175.14 1gr7 h VAL 59 N 0.87 1.21 -0.21 4.60 2.07 -0.77 -1.33 116.25 122.69 1gr7 h VAL 59 Ca 0.15 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1gr7 h VAL 59 Cb 0.56 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1gr7 h VAL 59 CO 0.03 0.23 0.08 0.58 0.02 0.00 0.00 177.57 178.51 1gr7 h VAL 60 N 0.32 1.17 0.04 2.57 2.07 -0.91 0.17 116.25 121.68 1gr7 h VAL 60 Ca 0.10 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1gr7 h VAL 60 Cb 0.27 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1gr7 h VAL 60 CO -0.00 0.16 -0.02 0.74 0.02 0.00 0.00 177.57 178.47 1gr7 h THR 61 N 0.19 0.95 0.00 2.57 2.02 -1.00 -0.64 112.91 117.00 1gr7 h THR 61 Ca 0.07 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1gr7 h THR 61 Cb 0.18 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1gr7 h THR 61 CO -0.01 0.00 -0.32 0.44 0.37 0.00 0.00 175.52 176.00 1gr7 h ASP 62 N -0.06 0.00 0.16 4.18 3.45 -1.15 -3.03 116.42 119.97 1gr7 h ASP 62 Ca -0.00 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.25 1gr7 h ASP 62 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1gr7 h ASP 62 CO 0.00 0.32 -0.82 1.23 -1.57 0.00 0.00 179.24 178.41 1gr7 h GLY 63 N 1.09 0.58 0.49 2.75 0.00 -0.18 -2.94 103.07 104.86 1gr7 h GLY 63 Ca -0.00 -0.88 0.12 0.00 0.00 0.00 0.00 47.33 46.56 1gr7 h GLY 63 CO 0.04 0.78 0.63 1.98 0.00 0.00 0.00 176.54 179.98 1gr7 h MET 64 N 0.34 0.98 -0.00 4.80 1.85 -1.01 -1.23 114.93 120.65 1gr7 h MET 64 Ca -0.06 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1gr7 h MET 64 Cb 1.43 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1gr7 h MET 64 CO 0.15 0.65 -0.08 0.00 -0.40 0.00 0.00 176.91 177.23 1gr7 n ALA 65 N -2.35 2.62 0.49 0.39 0.00 -1.15 -3.90 120.51 116.61 1gr7 n ALA 65 Ca 0.19 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1gr7 n ALA 65 Cb 0.34 -1.41 0.20 0.00 0.00 0.00 0.00 19.45 18.59 1gr7 n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gr7 h SER 66 N 0.16 0.00 -4.50 0.00 0.02 -1.05 -3.50 113.55 104.67 1gr7 h SER 66 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1gr7 h SER 66 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1gr7 h SER 66 CO 0.00 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1gr7 n GLY 67 N 1.29 -0.26 0.32 -3.77 0.00 -1.25 -4.10 105.19 97.42 1gr7 n GLY 67 Ca 0.03 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.48 1gr7 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gr7 h LEU 68 N 0.00 0.67 -2.25 0.99 5.85 -1.92 0.15 115.31 118.80 1gr7 h LEU 68 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1gr7 h LEU 68 Cb 0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1gr7 h LEU 68 CO 0.00 0.56 -0.04 -2.24 -0.34 0.00 0.00 178.44 176.38 1gr7 h ASP 69 N 0.76 0.00 -0.36 1.25 2.03 -2.02 -0.93 116.42 117.15 1gr7 h ASP 69 Ca 0.19 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1gr7 h ASP 69 Cb 0.05 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1gr7 h ASP 69 CO -0.03 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.51 1gr7 n LYS 70 N -3.33 3.54 -2.62 4.15 4.76 -0.72 -4.95 118.16 119.00 1gr7 n LYS 70 Ca -0.02 -2.95 -0.21 0.00 -2.87 0.00 0.00 58.31 52.26 1gr7 n LYS 70 Cb 0.18 -1.98 0.01 0.00 -1.84 0.00 0.00 35.03 31.39 1gr7 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1gr7 n ASP 71 N -0.17 -5.93 -4.02 4.39 9.92 -0.35 -2.41 116.55 117.98 1gr7 n ASP 71 Ca 0.24 -0.12 -0.31 0.00 -0.53 0.00 0.00 54.79 54.06 1gr7 n ASP 71 Cb 1.00 -4.87 0.00 0.00 -0.64 0.00 0.00 41.12 36.61 1gr7 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1gr7 n TYR 72 N -4.20 -2.01 -3.75 1.24 4.01 -0.04 -4.73 117.16 107.68 1gr7 n TYR 72 Ca -0.19 0.85 -0.15 0.00 -0.16 0.00 0.00 57.90 58.25 1gr7 n TYR 72 Cb 0.66 -3.60 -0.15 0.00 -0.31 0.00 0.00 39.34 35.94 1gr7 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1gr7 s LEU 73 N -7.21 0.83 0.06 7.72 1.43 -1.01 -4.22 118.68 116.28 1gr7 s LEU 73 Ca 0.59 0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 53.56 1gr7 s LEU 73 Cb -0.31 0.15 -0.08 0.00 0.03 0.00 0.00 46.19 45.98 1gr7 s LEU 73 CO 0.87 -0.15 1.57 -0.75 0.23 0.00 0.00 176.35 178.13 1gr7 s LYS 74 N 1.20 4.22 0.36 1.70 2.20 -1.26 -4.88 119.74 123.28 1gr7 s LYS 74 Ca -0.08 2.23 -0.28 0.00 -0.36 0.00 0.00 55.97 57.48 1gr7 s LYS 74 Cb -0.12 -3.54 -0.11 0.00 -1.51 0.00 0.00 37.83 32.55 1gr7 s LYS 74 CO -0.05 -0.67 1.45 -2.14 -0.36 0.00 0.00 175.35 173.58 1gr7 s PRO 75 N 2.40 4.17 -1.90 4.03 0.02 -1.26 -2.47 135.00 139.98 1gr7 s PRO 75 Ca 0.71 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.21 1gr7 s PRO 75 Cb -0.38 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.14 1gr7 s PRO 75 CO 0.31 -0.45 0.00 -0.25 -0.33 0.00 0.00 177.00 176.27 1gr7 n ASP 76 N 0.73 -5.64 -4.64 2.53 10.43 -1.26 -4.90 116.55 113.80 1gr7 n ASP 76 Ca 0.01 0.19 -0.43 0.00 2.57 0.00 0.00 54.79 57.13 1gr7 n ASP 76 Cb 0.40 -4.81 -0.03 0.00 1.84 0.00 0.00 41.12 38.52 1gr7 n ASP 76 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1gr7 n ASP 77 N -1.75 3.81 0.08 -2.24 -0.08 -1.03 -4.85 116.55 110.48 1gr7 n ASP 77 Ca -0.23 0.62 0.09 0.00 -1.51 0.00 0.00 54.79 53.76 1gr7 n ASP 77 Cb 0.68 -1.54 0.40 0.00 2.34 0.00 0.00 41.12 43.00 1gr7 n ASP 77 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1gr7 n SER 78 N 9.21 0.36 0.07 1.67 3.41 -1.26 -2.32 113.62 124.76 1gr7 n SER 78 Ca 0.24 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 1gr7 n SER 78 Cb 0.42 -0.67 0.20 0.00 -0.26 0.00 0.00 64.21 63.90 1gr7 n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gr7 n ARG 79 N -1.91 0.29 -2.88 4.33 1.74 -1.26 -4.81 116.66 112.16 1gr7 n ARG 79 Ca 0.02 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 1gr7 n ARG 79 Cb 0.17 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 1gr7 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gr7 s VAL 80 N -3.16 4.74 0.01 1.55 1.01 -0.98 -4.49 120.40 119.09 1gr7 s VAL 80 Ca 0.07 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.21 1gr7 s VAL 80 Cb 0.13 -4.20 -0.34 0.00 0.00 0.00 0.00 36.38 31.97 1gr7 s VAL 80 CO 0.70 -0.28 0.91 0.40 0.00 0.00 0.00 175.10 176.83 1gr7 h ILE 81 N 5.61 1.18 -2.28 2.22 2.04 -1.38 -3.48 117.51 121.43 1gr7 h ILE 81 Ca -0.23 -2.65 -0.05 0.00 1.00 0.00 0.00 64.86 62.93 1gr7 h ILE 81 Cb 1.09 2.97 -0.17 0.00 -0.74 0.00 0.00 36.82 39.96 1gr7 h ILE 81 CO 0.91 0.83 0.20 0.00 0.00 0.00 0.00 178.15 180.09 1gr7 s ALA 82 N -2.59 -1.73 0.03 1.87 0.00 -1.24 -5.02 121.76 113.08 1gr7 s ALA 82 Ca -0.11 1.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 1gr7 s ALA 82 Cb 0.04 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.46 1gr7 s ALA 82 CO 0.92 -0.48 0.55 -3.38 0.00 0.00 0.00 175.76 173.37 1gr7 s HIS 83 N -1.92 -0.48 0.79 0.00 -3.43 -1.26 -1.65 115.29 107.34 1gr7 s HIS 83 Ca -0.07 0.61 -0.04 0.00 -0.80 0.00 0.00 55.06 54.75 1gr7 s HIS 83 Cb -0.00 0.36 0.16 0.00 -1.43 0.00 0.00 32.58 31.66 1gr7 s HIS 83 CO 0.03 -0.64 1.09 0.95 -2.00 0.00 0.00 174.74 174.17 1gr7 s THR 84 N -2.19 2.05 0.75 -5.38 -4.23 -0.59 -4.84 115.64 101.22 1gr7 s THR 84 Ca -0.07 -0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 59.89 1gr7 s THR 84 Cb -0.01 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.31 1gr7 s THR 84 CO 0.01 0.00 1.09 -1.59 -0.54 0.00 0.00 174.62 173.59 1gr7 s LYS 85 N -5.35 2.09 -0.14 3.99 -2.85 -1.26 -4.63 119.74 111.60 1gr7 s LYS 85 Ca 0.69 -0.08 -0.26 0.00 -1.00 0.00 0.00 55.97 55.32 1gr7 s LYS 85 Cb -0.04 -2.07 -0.02 0.00 -2.06 0.00 0.00 37.83 33.64 1gr7 s LYS 85 CO 0.47 -1.40 0.83 -1.17 0.10 0.00 0.00 175.35 174.18 1gr7 s LEU 86 N -5.40 4.22 0.18 2.77 2.96 -1.26 -4.34 118.68 117.81 1gr7 s LEU 86 Ca 0.61 1.24 0.11 0.00 -0.22 0.00 0.00 54.13 55.87 1gr7 s LEU 86 Cb -0.11 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1gr7 s LEU 86 CO 0.47 -0.35 -0.23 0.27 -1.32 0.00 0.00 176.35 175.19 1gr7 s ILE 87 N 1.84 2.24 0.44 6.68 -4.36 0.08 -4.88 121.20 123.24 1gr7 s ILE 87 Ca 0.40 -1.99 0.06 0.00 -0.26 0.00 0.00 60.65 58.86 1gr7 s ILE 87 Cb -0.17 -2.06 0.06 0.00 1.25 0.00 0.00 42.46 41.54 1gr7 s ILE 87 CO 0.15 -0.15 0.51 0.61 0.24 0.00 0.00 174.94 176.30 1gr7 n GLY 88 N 0.30 2.30 3.77 6.27 0.00 -1.26 -1.44 105.19 115.13 1gr7 n GLY 88 Ca -0.13 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 1gr7 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gr7 s SER 89 N -3.70 6.15 0.00 1.61 1.04 -0.85 -1.96 113.70 115.99 1gr7 s SER 89 Ca 0.38 2.93 0.00 0.00 0.48 0.00 0.00 55.95 59.75 1gr7 s SER 89 Cb -0.03 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1gr7 s SER 89 CO 0.24 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1gr7 n GLY 90 N 0.55 1.55 3.91 7.32 0.00 -0.36 -4.98 105.19 113.18 1gr7 n GLY 90 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1gr7 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gr7 s GLU 91 N -0.08 3.01 0.01 1.61 2.02 -0.83 -4.98 118.70 119.46 1gr7 s GLU 91 Ca 0.00 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 53.88 1gr7 s GLU 91 Cb 0.00 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 1gr7 s GLU 91 CO 0.00 0.19 0.06 0.15 0.02 0.00 0.00 175.26 175.68 1gr7 s LYS 92 N -4.02 0.39 0.12 1.61 1.02 -1.26 -3.13 119.74 114.47 1gr7 s LYS 92 Ca 0.40 -0.47 -0.13 0.00 0.02 0.00 0.00 55.97 55.79 1gr7 s LYS 92 Cb -0.08 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 1gr7 s LYS 92 CO 0.28 -0.08 0.32 0.34 -0.92 0.00 0.00 175.35 175.29 1gr7 s ASP 93 N -1.35 -0.07 0.04 2.83 2.15 -0.45 -5.01 116.67 114.81 1gr7 s ASP 93 Ca -0.15 -0.52 0.02 0.00 0.43 0.00 0.00 52.55 52.34 1gr7 s ASP 93 Cb -0.08 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 42.94 1gr7 s ASP 93 CO 0.00 -0.83 -0.08 -0.44 -0.17 0.00 0.00 175.17 173.66 1gr7 s SER 94 N -2.85 0.86 0.01 -0.34 0.01 -1.26 -0.49 113.70 109.63 1gr7 s SER 94 Ca 0.06 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.75 1gr7 s SER 94 Cb 0.03 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1gr7 s SER 94 CO -0.10 -0.22 -0.04 0.54 0.41 0.00 0.00 173.24 173.83 1gr7 s VAL 95 N -1.53 0.27 -0.06 3.43 0.11 -0.18 -4.89 120.40 117.55 1gr7 s VAL 95 Ca -0.09 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 1gr7 s VAL 95 Cb -0.09 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1gr7 s VAL 95 CO 0.00 -0.05 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.61 1gr7 s THR 96 N -0.39 1.80 0.08 5.04 2.01 -1.26 -0.58 115.64 122.34 1gr7 s THR 96 Ca -0.02 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1gr7 s THR 96 Cb -0.03 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1gr7 s THR 96 CO -0.00 0.51 -0.08 0.72 -0.69 0.00 0.00 174.62 175.08 1gr7 s PHE 97 N 0.07 0.88 -0.13 4.92 -0.12 -0.33 -4.96 117.98 118.31 1gr7 s PHE 97 Ca -0.08 -0.73 -0.29 0.00 -0.05 0.00 0.00 56.93 55.78 1gr7 s PHE 97 Cb -0.14 -0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 41.73 1gr7 s PHE 97 CO 0.04 -0.09 1.07 -0.51 -0.05 0.00 0.00 175.22 175.69 1gr7 s ASP 98 N -2.49 7.15 0.22 1.98 1.01 -1.26 -1.48 116.67 121.80 1gr7 s ASP 98 Ca 0.04 1.55 -0.09 0.00 0.71 0.00 0.00 52.55 54.76 1gr7 s ASP 98 Cb -0.01 -2.55 0.18 0.00 1.01 0.00 0.00 42.92 41.54 1gr7 s ASP 98 CO -0.02 -0.56 1.88 0.58 0.21 0.00 0.00 175.17 177.26 1gr7 h VAL 99 N 5.21 1.22 0.00 -1.27 2.07 -1.37 -1.86 116.25 120.24 1gr7 h VAL 99 Ca -0.28 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1gr7 h VAL 99 Cb 1.12 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1gr7 h VAL 99 CO 0.90 0.21 0.02 -2.65 0.02 0.00 0.00 177.57 176.08 1gr7 n PRO 100 N -4.50 0.00 0.14 1.57 -0.02 -1.26 -0.82 135.00 130.12 1gr7 n PRO 100 Ca 0.08 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1gr7 n PRO 100 Cb 0.03 -1.52 0.46 0.00 -0.02 0.00 0.00 33.50 32.45 1gr7 n PRO 100 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1gr7 h LYS 101 N 0.00 0.00 -5.93 -0.52 1.57 -1.72 -3.44 116.57 106.52 1gr7 h LYS 101 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1gr7 h LYS 101 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1gr7 h LYS 101 CO 0.00 0.00 -0.44 -0.51 -0.57 0.00 0.00 179.45 177.93 1gr7 s LEU 102 N -4.78 4.35 -0.13 2.94 1.43 0.00 -5.11 118.68 117.39 1gr7 s LEU 102 Ca 0.06 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1gr7 s LEU 102 Cb 0.10 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1gr7 s LEU 102 CO 0.50 0.18 -0.01 -0.54 0.23 0.00 0.00 176.35 176.71 1gr7 s LYS 103 N -2.28 3.41 0.31 1.70 1.02 -1.26 -5.05 119.74 117.59 1gr7 s LYS 103 Ca 0.33 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1gr7 s LYS 103 Cb -0.13 -2.90 -0.11 0.00 -0.52 0.00 0.00 37.83 34.17 1gr7 s LYS 103 CO 0.23 0.45 1.53 -2.00 -0.92 0.00 0.00 175.35 174.64 1gr7 s GLU 104 N -0.19 4.15 0.00 1.68 2.12 -1.26 -2.62 118.70 122.58 1gr7 s GLU 104 Ca 0.05 2.52 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1gr7 s GLU 104 Cb -0.13 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1gr7 s GLU 104 CO 0.02 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 1gr7 n GLY 105 N 1.65 1.28 3.90 -1.50 0.00 -1.26 -5.05 105.19 104.20 1gr7 n GLY 105 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1gr7 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gr7 s GLU 106 N -0.53 3.62 -0.27 1.61 2.56 -1.08 -5.07 118.70 119.53 1gr7 s GLU 106 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.97 54.77 1gr7 s GLU 106 Cb 0.00 -2.79 -0.05 0.00 2.00 0.00 0.00 34.13 33.30 1gr7 s GLU 106 CO 0.00 0.39 0.20 -1.14 -0.56 0.00 0.00 175.26 174.15 1gr7 s GLN 107 N -2.98 3.98 0.19 4.30 -0.44 -1.26 -4.72 119.66 118.73 1gr7 s GLN 107 Ca 0.42 -0.28 0.08 0.00 -2.50 0.00 0.00 55.36 53.07 1gr7 s GLN 107 Cb -0.11 -3.64 -0.04 0.00 -1.64 0.00 0.00 33.01 27.58 1gr7 s GLN 107 CO 0.26 -0.14 0.01 0.71 0.50 0.00 0.00 175.29 176.63 1gr7 s TYR 108 N 1.64 2.83 0.01 1.67 2.02 -1.04 -1.41 117.35 123.07 1gr7 s TYR 108 Ca 0.08 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 1gr7 s TYR 108 Cb -0.15 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1gr7 s TYR 108 CO 0.10 0.53 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.84 1gr7 s MET 109 N -3.11 0.97 0.10 -0.62 -1.94 -0.39 -1.50 119.30 112.80 1gr7 s MET 109 Ca 0.28 -0.55 0.07 0.00 -1.71 0.00 0.00 55.69 53.78 1gr7 s MET 109 Cb -0.09 -0.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.77 1gr7 s MET 109 CO 0.19 0.25 -0.09 -0.59 -0.01 0.00 0.00 175.02 174.77 1gr7 s PHE 110 N -0.49 2.77 0.17 -0.03 -0.71 -0.21 -2.01 117.98 117.46 1gr7 s PHE 110 Ca 0.03 -0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.54 1gr7 s PHE 110 Cb -0.06 -1.44 0.06 0.00 -1.21 0.00 0.00 43.02 40.36 1gr7 s PHE 110 CO 0.00 0.43 0.81 -0.59 -1.34 0.00 0.00 175.22 174.53 1gr7 s PHE 111 N -1.22 -0.25 -0.14 3.49 -0.71 -0.01 -1.46 117.98 117.68 1gr7 s PHE 111 Ca 0.22 -0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 55.95 1gr7 s PHE 111 Cb -0.11 0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1gr7 s PHE 111 CO 0.14 -0.92 0.18 0.00 -1.34 0.00 0.00 175.22 173.28 1gr7 n THR 113 N 2.73 0.19 -1.72 0.00 -2.24 -1.26 -3.25 114.28 108.73 1gr7 n THR 113 Ca -0.17 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 1gr7 n THR 113 Cb 0.53 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 1gr7 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1gr7 n PHE 114 N 1.25 2.57 -1.71 4.78 7.35 -1.26 -4.41 117.46 126.02 1gr7 n PHE 114 Ca 0.16 0.35 -0.59 0.00 -0.76 0.00 0.00 57.45 56.61 1gr7 n PHE 114 Cb 0.57 -2.53 -0.08 0.00 0.35 0.00 0.00 39.48 37.79 1gr7 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1gr7 n PRO 115 N 1.90 0.94 0.00 -7.13 -0.02 -1.26 -1.01 135.00 128.42 1gr7 n PRO 115 Ca 0.09 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1gr7 n PRO 115 Cb 0.35 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1gr7 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gr7 n GLY 116 N 4.03 2.91 0.20 -1.23 0.00 -1.26 -4.90 105.19 104.94 1gr7 n GLY 116 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.31 1gr7 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1gr7 h HIS 117 N 0.00 0.07 0.00 1.61 3.86 -1.33 -2.73 115.15 116.63 1gr7 h HIS 117 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1gr7 h HIS 117 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1gr7 h HIS 117 CO 0.00 0.36 0.00 0.66 0.86 0.00 0.00 177.93 179.81 1gr7 h SER 118 N 0.06 0.00 -0.93 2.45 4.64 -1.74 0.13 113.55 118.15 1gr7 h SER 118 Ca 0.01 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1gr7 h SER 118 Cb 0.56 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.58 1gr7 h SER 118 CO 0.04 0.00 0.60 0.00 -0.87 0.00 0.00 176.83 176.60 1gr7 h ALA 119 N 2.07 1.63 0.00 5.18 0.00 -1.83 -3.32 119.26 122.98 1gr7 h ALA 119 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1gr7 h ALA 119 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gr7 h ALA 119 CO 0.00 0.15 -1.15 1.28 0.00 0.00 0.00 179.25 179.53 1gr7 n LEU 120 N -4.56 0.16 -4.31 0.00 4.77 -0.71 -4.89 117.00 107.46 1gr7 n LEU 120 Ca 0.17 -0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.71 1gr7 n LEU 120 Cb 0.35 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1gr7 n LEU 120 CO 0.30 0.08 1.60 0.23 -1.33 0.00 0.00 177.39 178.26 1gr7 n MET 121 N -2.11 3.41 -3.64 3.23 2.81 0.36 -4.68 117.12 116.51 1gr7 n MET 121 Ca -0.04 -3.72 -0.13 0.00 -1.81 0.00 0.00 57.70 52.01 1gr7 n MET 121 Cb 0.57 -3.04 -0.06 0.00 -0.71 0.00 0.00 33.22 29.97 1gr7 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1gr7 s LYS 122 N 1.45 0.95 0.20 0.03 -2.85 -1.26 -2.30 119.74 115.96 1gr7 s LYS 122 Ca 0.43 -0.31 -0.24 0.00 -1.00 0.00 0.00 55.97 54.86 1gr7 s LYS 122 Cb 0.01 0.43 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 1gr7 s LYS 122 CO 0.01 -0.33 0.86 0.20 0.10 0.00 0.00 175.35 176.19 1gr7 s GLY 123 N -1.96 -0.19 0.16 0.59 0.00 -0.53 -4.72 107.32 100.67 1gr7 s GLY 123 Ca -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1gr7 s GLY 123 CO -0.02 -0.02 0.19 -0.51 0.00 0.00 0.00 173.10 172.74 1gr7 s THR 124 N -3.53 4.79 -0.02 0.90 -4.23 0.01 -1.05 115.64 112.51 1gr7 s THR 124 Ca 0.11 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1gr7 s THR 124 Cb -0.03 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.37 1gr7 s THR 124 CO 0.04 -0.11 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.78 1gr7 s LEU 125 N -3.17 1.35 0.04 4.79 0.20 -0.57 -1.24 118.68 120.08 1gr7 s LEU 125 Ca 0.32 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 55.14 1gr7 s LEU 125 Cb -0.10 -0.18 -0.03 0.00 -0.43 0.00 0.00 46.19 45.45 1gr7 s LEU 125 CO 0.25 -0.07 -0.07 0.42 -0.29 0.00 0.00 176.35 176.59 1gr7 s THR 126 N 0.78 0.45 -0.22 3.68 -4.23 -0.86 -2.50 115.64 112.74 1gr7 s THR 126 Ca -0.08 -1.14 -0.10 0.00 -1.18 0.00 0.00 61.69 59.20 1gr7 s THR 126 Cb -0.11 -0.65 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1gr7 s THR 126 CO -0.01 -0.46 0.14 -0.22 -0.54 0.00 0.00 174.62 173.52 1gr7 s LEU 127 N -1.71 4.08 0.00 4.79 2.96 -1.26 -0.66 118.68 126.88 1gr7 s LEU 127 Ca -0.09 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1gr7 s LEU 127 Cb -0.08 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1gr7 s LEU 127 CO -0.01 0.10 0.22 0.29 -1.32 0.00 0.00 176.35 175.63