#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gr7 n SER 3 N 0.00 0.67 -3.57 0.00 2.88 -1.26 -1.42 113.62 110.92 1gr7 n SER 3 Ca 0.00 -0.19 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 1gr7 n SER 3 Cb 0.00 1.70 -0.05 0.00 -0.75 0.00 0.00 64.21 65.11 1gr7 n SER 3 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1gr7 s SER 4 N -3.91 -0.42 -0.06 -3.46 1.04 -1.26 -2.92 113.70 102.71 1gr7 s SER 4 Ca -0.04 0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 1gr7 s SER 4 Cb 0.13 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1gr7 s SER 4 CO 0.79 -0.39 0.17 0.54 0.98 0.00 0.00 173.24 175.33 1gr7 s VAL 5 N -1.12 -0.00 -0.28 5.02 0.11 -0.35 -4.95 120.40 118.83 1gr7 s VAL 5 Ca -0.03 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 1gr7 s VAL 5 Cb -0.00 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1gr7 s VAL 5 CO 0.03 0.00 0.19 -1.81 -3.33 0.00 0.00 175.10 170.18 1gr7 s ASP 6 N 0.14 6.03 -0.05 3.54 1.01 -1.26 -1.19 116.67 124.89 1gr7 s ASP 6 Ca -0.00 -0.00 0.05 0.00 0.71 0.00 0.00 52.55 53.31 1gr7 s ASP 6 Cb -0.02 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1gr7 s ASP 6 CO -0.00 -0.04 -0.21 -0.63 0.21 0.00 0.00 175.17 174.50 1gr7 s ILE 7 N 1.71 2.49 -0.06 0.77 1.01 0.03 -4.97 121.20 122.18 1gr7 s ILE 7 Ca 0.07 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1gr7 s ILE 7 Cb -0.16 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1gr7 s ILE 7 CO 0.11 0.58 -0.19 -1.10 0.00 0.00 0.00 174.94 174.33 1gr7 s GLN 8 N -0.46 2.65 -0.20 2.79 1.11 -1.26 -1.28 119.66 123.00 1gr7 s GLN 8 Ca 0.05 -0.79 -0.02 0.00 0.01 0.00 0.00 55.36 54.62 1gr7 s GLN 8 Cb -0.12 -2.32 0.00 0.00 -1.01 0.00 0.00 33.01 29.57 1gr7 s GLN 8 CO 0.01 0.46 -0.10 0.20 0.01 0.00 0.00 175.29 175.87 1gr7 s GLY 9 N -0.33 1.53 0.25 3.09 0.00 -0.03 -1.68 107.32 110.16 1gr7 s GLY 9 Ca 0.02 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1gr7 s GLY 9 CO 0.02 0.36 0.18 1.16 0.00 0.00 0.00 173.10 174.82 1gr7 n ASN 10 N 4.71 1.85 0.00 1.64 0.23 -0.94 -3.65 115.26 119.10 1gr7 n ASN 10 Ca -0.19 -1.88 0.15 0.00 -0.53 0.00 0.00 54.58 52.13 1gr7 n ASN 10 Cb 0.51 -0.01 0.84 0.00 -2.08 0.00 0.00 39.78 39.04 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 -1.88 0.00 -1.03 0.53 10.43 -1.26 -2.77 116.55 120.56 1gr7 n ASP 11 Ca -0.01 -0.61 0.07 0.00 2.57 0.00 0.00 54.79 56.81 1gr7 n ASP 11 Cb 0.29 -0.12 0.23 0.00 1.84 0.00 0.00 41.12 43.36 1gr7 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1gr7 n GLN 12 N -1.12 2.46 -3.41 -1.24 6.02 -1.26 -4.95 117.38 113.89 1gr7 n GLN 12 Ca 0.19 -1.87 -0.19 0.00 -0.01 0.00 0.00 57.00 55.12 1gr7 n GLN 12 Cb 0.16 -1.52 0.08 0.00 1.02 0.00 0.00 30.24 29.98 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 0.86 -6.69 -3.87 -1.09 1.56 -1.12 -5.03 117.12 101.74 1gr7 n MET 13 Ca 0.17 0.76 -0.10 0.00 -0.27 0.00 0.00 57.70 58.25 1gr7 n MET 13 Cb 0.52 -5.55 -0.09 0.00 2.15 0.00 0.00 33.22 30.25 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 -5.78 0.61 0.54 2.12 -0.21 -1.26 -4.37 119.66 111.30 1gr7 s GLN 14 Ca 0.31 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 55.05 1gr7 s GLN 14 Cb -0.14 0.25 -0.00 0.00 1.00 0.00 0.00 33.01 34.12 1gr7 s GLN 14 CO 0.66 -0.16 0.83 -0.06 -2.12 0.00 0.00 175.29 174.43 1gr7 s PHE 15 N -2.22 3.32 0.32 0.91 0.40 -1.26 -2.22 117.98 117.23 1gr7 s PHE 15 Ca -0.08 0.60 0.11 0.00 -0.60 0.00 0.00 56.93 56.96 1gr7 s PHE 15 Cb -0.03 -2.54 0.53 0.00 0.51 0.00 0.00 43.02 41.49 1gr7 s PHE 15 CO -0.02 -0.59 1.72 -2.95 0.70 0.00 0.00 175.22 174.07 1gr7 h ASN 16 N 0.04 0.04 -3.97 1.36 -1.07 -1.71 -3.45 115.58 106.82 1gr7 h ASN 16 Ca -0.46 -0.02 -0.51 0.00 0.07 0.00 0.00 56.30 55.38 1gr7 h ASN 16 Cb 1.24 -0.01 -0.20 0.00 -2.07 0.00 0.00 38.32 37.28 1gr7 h ASN 16 CO 0.60 0.52 -0.80 0.28 0.07 0.00 0.00 177.43 178.10 1gr7 s THR 17 N -3.95 1.63 -1.09 6.14 -1.32 -1.26 -5.03 115.64 110.76 1gr7 s THR 17 Ca -0.03 -1.68 0.11 0.00 -1.21 0.00 0.00 61.69 58.88 1gr7 s THR 17 Cb 0.14 -1.61 0.22 0.00 -1.51 0.00 0.00 72.50 69.73 1gr7 s THR 17 CO 0.75 -0.22 1.09 0.59 -2.21 0.00 0.00 174.62 174.62 1gr7 n ASN 18 N 0.74 2.52 -3.70 8.08 5.03 -1.26 -4.87 115.26 121.80 1gr7 n ASN 18 Ca -0.17 -1.79 -0.11 0.00 0.87 0.00 0.00 54.58 53.39 1gr7 n ASN 18 Cb 0.55 -0.14 -0.10 0.00 -1.02 0.00 0.00 39.78 39.07 1gr7 n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gr7 s ALA 19 N -0.97 -1.13 -0.03 5.41 0.00 -1.26 -1.66 121.76 122.13 1gr7 s ALA 19 Ca 0.19 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.75 1gr7 s ALA 19 Cb 0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1gr7 s ALA 19 CO 0.15 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 175.90 1gr7 s ILE 20 N 1.20 1.31 -0.10 0.00 1.01 -0.17 -4.97 121.20 119.48 1gr7 s ILE 20 Ca -0.08 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1gr7 s ILE 20 Cb -0.07 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1gr7 s ILE 20 CO -0.11 0.38 -0.19 -0.89 0.00 0.00 0.00 174.94 174.13 1gr7 s THR 21 N -0.18 2.55 -0.17 2.92 2.01 -1.26 -1.78 115.64 119.73 1gr7 s THR 21 Ca 0.02 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1gr7 s THR 21 Cb -0.08 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1gr7 s THR 21 CO 0.00 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 1gr7 s VAL 22 N 0.17 4.46 -0.17 3.82 1.01 0.73 -2.59 120.40 127.82 1gr7 s VAL 22 Ca -0.11 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1gr7 s VAL 22 Cb -0.16 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1gr7 s VAL 22 CO 0.06 0.47 1.56 -0.62 0.00 0.00 0.00 175.10 176.57 1gr7 s ASP 23 N 0.37 6.56 0.39 3.32 -1.08 -0.51 -0.94 116.67 124.78 1gr7 s ASP 23 Ca 0.00 1.78 0.27 0.00 -0.52 0.00 0.00 52.55 54.09 1gr7 s ASP 23 Cb -0.13 -2.53 1.37 0.00 -1.46 0.00 0.00 42.92 40.16 1gr7 s ASP 23 CO 0.01 -1.08 1.83 0.07 0.52 0.00 0.00 175.17 176.52 1gr7 h LYS 24 N 9.96 0.00 -2.69 4.34 2.10 -1.91 -3.46 116.57 124.91 1gr7 h LYS 24 Ca -0.34 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.76 1gr7 h LYS 24 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1gr7 h LYS 24 CO 0.98 0.00 2.60 -1.13 -2.00 0.00 0.00 179.45 179.90 1gr7 n SER 25 N -2.48 7.79 0.00 7.07 3.41 -1.26 -5.01 113.62 123.15 1gr7 n SER 25 Ca -0.01 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1gr7 n SER 25 Cb 0.12 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 1gr7 n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gr7 n LYS 27 N 3.06 1.04 -4.14 4.33 5.02 -1.26 -5.19 118.16 121.03 1gr7 n LYS 27 Ca 0.68 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1gr7 n LYS 27 Cb 0.41 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.53 1gr7 n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1gr7 s GLN 28 N -1.57 0.75 -0.02 1.97 -0.21 -1.26 -1.30 119.66 118.02 1gr7 s GLN 28 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.19 1gr7 s GLN 28 Cb 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.83 1gr7 s GLN 28 CO 0.00 -0.01 -0.07 0.12 -2.12 0.00 0.00 175.29 173.21 1gr7 s PHE 29 N -3.19 0.71 -0.09 0.91 2.19 -0.11 -4.83 117.98 113.57 1gr7 s PHE 29 Ca 0.07 -0.16 0.04 0.00 0.33 0.00 0.00 56.93 57.21 1gr7 s PHE 29 Cb 0.02 -0.52 -0.01 0.00 -1.31 0.00 0.00 43.02 41.21 1gr7 s PHE 29 CO -0.04 -0.07 -0.22 0.99 1.83 0.00 0.00 175.22 177.70 1gr7 s THR 30 N 0.19 2.23 -0.21 0.12 2.01 -1.15 -1.06 115.64 117.78 1gr7 s THR 30 Ca -0.02 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1gr7 s THR 30 Cb -0.07 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1gr7 s THR 30 CO -0.00 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 1gr7 s VAL 31 N 0.12 2.72 -0.32 3.82 1.01 0.01 -1.22 120.40 126.53 1gr7 s VAL 31 Ca -0.11 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1gr7 s VAL 31 Cb -0.16 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1gr7 s VAL 31 CO 0.06 0.44 0.18 0.20 0.00 0.00 0.00 175.10 175.99 1gr7 s ASN 32 N 1.37 5.72 -0.18 3.32 0.01 -0.33 -1.76 114.94 123.09 1gr7 s ASN 32 Ca 0.05 -0.52 -0.07 0.00 -0.71 0.00 0.00 52.86 51.61 1gr7 s ASN 32 Cb -0.14 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1gr7 s ASN 32 CO -0.08 -0.22 0.04 -0.22 -1.51 0.00 0.00 177.10 175.12 1gr7 s LEU 33 N 1.64 3.68 0.25 0.60 2.96 0.10 -0.79 118.68 127.12 1gr7 s LEU 33 Ca 0.05 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1gr7 s LEU 33 Cb -0.17 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1gr7 s LEU 33 CO 0.08 0.16 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.30 1gr7 s SER 34 N 0.42 2.28 -0.44 3.68 1.04 -0.40 -1.32 113.70 118.96 1gr7 s SER 34 Ca 0.02 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.27 1gr7 s SER 34 Cb -0.13 -0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.05 1gr7 s SER 34 CO 0.01 -0.42 0.23 -2.28 0.98 0.00 0.00 173.24 171.76 1gr7 s HIS 35 N -3.22 1.99 1.07 5.02 2.46 -1.15 -0.85 115.29 120.62 1gr7 s HIS 35 Ca 0.28 -2.42 -0.12 0.00 0.47 0.00 0.00 55.06 53.27 1gr7 s HIS 35 Cb 0.05 -1.90 0.23 0.00 -0.13 0.00 0.00 32.58 30.83 1gr7 s HIS 35 CO 0.10 -0.78 1.06 -2.14 -2.47 0.00 0.00 174.74 170.51 1gr7 s PRO 36 N 0.38 -0.19 0.00 2.88 0.02 -1.24 -1.45 135.00 135.41 1gr7 s PRO 36 Ca 0.17 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.99 1gr7 s PRO 36 Cb -0.24 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1gr7 s PRO 36 CO 0.00 -3.22 0.00 0.41 -0.33 0.00 0.00 177.00 173.86 1gr7 n GLY 37 N 0.00 -1.24 0.00 0.52 0.00 -1.26 -4.14 105.19 99.07 1gr7 n GLY 37 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.28 -4.81 1.61 4.13 -1.26 -4.52 115.26 110.69 1gr7 n ASN 38 Ca 0.00 -0.25 -0.38 0.00 1.68 0.00 0.00 54.58 55.64 1gr7 n ASN 38 Cb 0.00 0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 38.73 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 -1.15 4.48 0.79 3.41 1.43 -1.26 -4.85 118.68 121.52 1gr7 s LEU 39 Ca 0.00 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 1gr7 s LEU 39 Cb 0.00 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 43.13 1gr7 s LEU 39 CO 0.00 0.19 1.11 -2.16 0.23 0.00 0.00 176.35 175.73 1gr7 s PRO 40 N -1.40 2.17 0.62 1.29 0.04 -1.26 -1.75 135.00 134.70 1gr7 s PRO 40 Ca 0.34 0.46 0.36 0.00 0.04 0.00 0.00 61.00 62.19 1gr7 s PRO 40 Cb -0.19 -1.94 2.06 0.00 0.04 0.00 0.00 34.50 34.46 1gr7 s PRO 40 CO 0.21 -1.52 2.30 1.57 0.04 0.00 0.00 177.00 179.60 1gr7 h LYS 41 N -1.01 0.00 0.00 4.56 2.10 -1.84 -2.22 116.57 118.16 1gr7 h LYS 41 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1gr7 h LYS 41 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1gr7 h LYS 41 CO 0.62 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.34 1gr7 n ASN 42 N -3.55 0.00 0.00 7.07 0.23 -1.26 -2.23 115.26 115.52 1gr7 n ASN 42 Ca -0.03 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1gr7 n ASN 42 Cb 0.08 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1gr7 n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1gr7 n VAL 43 N -1.34 0.00 -2.74 3.53 0.31 -0.88 -4.84 118.33 112.37 1gr7 n VAL 43 Ca 0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.40 1gr7 n VAL 43 Cb 0.23 -0.71 0.06 0.00 -0.91 0.00 0.00 33.84 32.51 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 -2.16 1.42 -2.44 5.55 0.00 -0.93 -5.05 117.12 113.51 1gr7 n MET 44 Ca 0.00 -3.05 -0.36 0.00 -0.00 0.00 0.00 57.70 54.30 1gr7 n MET 44 Cb 0.47 -1.14 -0.03 0.00 0.00 0.00 0.00 33.22 32.52 1gr7 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1gr7 s GLY 45 N -3.06 2.66 -0.00 -5.12 0.00 -0.95 -4.72 107.32 96.14 1gr7 s GLY 45 Ca 0.25 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.73 1gr7 s GLY 45 CO -0.02 1.13 -0.06 0.30 0.00 0.00 0.00 173.10 174.45 1gr7 s HIS 46 N -1.74 0.54 0.36 1.90 3.76 -0.62 -4.63 115.29 114.85 1gr7 s HIS 46 Ca 0.64 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.48 1gr7 s HIS 46 Cb -0.22 -0.34 -0.06 0.00 1.11 0.00 0.00 32.58 33.06 1gr7 s HIS 46 CO 0.27 -0.01 0.05 0.54 -0.85 0.00 0.00 174.74 174.74 1gr7 s ASN 47 N -0.17 2.84 -0.19 1.40 2.20 -1.26 -0.65 114.94 119.11 1gr7 s ASN 47 Ca 0.02 -1.41 0.01 0.00 -0.94 0.00 0.00 52.86 50.54 1gr7 s ASN 47 Cb -0.02 -0.08 0.03 0.00 -2.00 0.00 0.00 41.25 39.17 1gr7 s ASN 47 CO -0.00 -0.61 -0.14 0.86 -2.94 0.00 0.00 177.10 174.27 1gr7 s TRP 48 N -3.13 2.58 -0.05 1.54 -0.00 -1.26 -4.07 118.94 114.54 1gr7 s TRP 48 Ca 0.34 -1.62 0.04 0.00 -0.00 0.00 0.00 56.10 54.86 1gr7 s TRP 48 Cb 0.08 -1.75 0.00 0.00 -0.00 0.00 0.00 33.47 31.80 1gr7 s TRP 48 CO 0.15 -0.76 -0.17 0.08 -0.00 0.00 0.00 176.95 176.25 1gr7 s VAL 49 N 1.35 1.43 -0.13 5.86 1.01 -0.45 -1.66 120.40 127.81 1gr7 s VAL 49 Ca 0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1gr7 s VAL 49 Cb -0.15 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1gr7 s VAL 49 CO -0.10 0.42 -0.19 -0.22 0.00 0.00 0.00 175.10 175.01 1gr7 s LEU 50 N 0.22 2.35 0.23 3.92 2.96 -0.45 -1.40 118.68 126.50 1gr7 s LEU 50 Ca -0.08 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1gr7 s LEU 50 Cb -0.13 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1gr7 s LEU 50 CO 0.03 0.12 0.25 -0.94 -1.32 0.00 0.00 176.35 174.49 1gr7 s SER 51 N 0.57 0.25 0.67 3.68 1.04 -0.87 -0.39 113.70 118.65 1gr7 s SER 51 Ca -0.11 -1.31 -0.15 0.00 0.48 0.00 0.00 55.95 54.86 1gr7 s SER 51 Cb -0.16 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1gr7 s SER 51 CO 0.04 -0.96 1.15 0.42 0.98 0.00 0.00 173.24 174.87 1gr7 s THR 52 N -4.01 2.90 0.29 2.02 -4.23 -1.26 -1.12 115.64 110.22 1gr7 s THR 52 Ca 0.35 0.44 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 1gr7 s THR 52 Cb 0.04 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.19 1gr7 s THR 52 CO 0.13 -0.24 1.81 0.00 -0.54 0.00 0.00 174.62 175.78 1gr7 h ALA 53 N 0.02 1.55 -0.49 3.99 0.00 -1.34 -1.89 119.26 121.11 1gr7 h ALA 53 Ca -0.47 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1gr7 h ALA 53 Cb 1.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1gr7 h ALA 53 CO 0.53 0.12 0.33 0.00 0.00 0.00 0.00 179.25 180.23 1gr7 h ALA 54 N 1.57 1.78 0.00 0.00 0.00 -1.91 -2.74 119.26 117.96 1gr7 h ALA 54 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1gr7 h ALA 54 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gr7 h ALA 54 CO -0.31 0.16 -0.65 -0.25 0.00 0.00 0.00 179.25 178.20 1gr7 n ASP 55 N -4.47 0.62 0.00 0.00 8.00 -0.75 -4.48 116.55 115.47 1gr7 n ASP 55 Ca 0.06 -0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.07 1gr7 n ASP 55 Cb 0.15 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.29 -0.52 -1.24 1.85 -1.14 -2.13 114.93 111.46 1gr7 h MET 56 Ca 0.00 0.02 0.10 0.00 -0.61 0.00 0.00 59.70 59.21 1gr7 h MET 56 Cb 0.53 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.55 1gr7 h MET 56 CO 0.00 -0.20 0.06 0.37 -0.40 0.00 0.00 176.91 176.74 1gr7 h GLN 57 N -0.30 0.18 -0.67 0.39 5.75 -1.79 -0.79 115.11 117.87 1gr7 h GLN 57 Ca 0.10 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1gr7 h GLN 57 Cb 0.45 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1gr7 h GLN 57 CO -0.30 0.12 0.38 0.78 -2.65 0.00 0.00 178.83 177.15 1gr7 h GLY 58 N 0.18 0.99 1.01 2.39 0.00 -1.72 -1.23 103.07 104.70 1gr7 h GLY 58 Ca 0.27 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1gr7 h GLY 58 CO -0.39 0.42 0.37 -2.08 0.00 0.00 0.00 176.54 174.87 1gr7 h VAL 59 N 0.92 1.23 -0.10 4.60 2.07 -0.88 -1.84 116.25 122.25 1gr7 h VAL 59 Ca 0.24 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1gr7 h VAL 59 Cb 0.02 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1gr7 h VAL 59 CO -0.04 0.26 -0.07 0.58 0.02 0.00 0.00 177.57 178.32 1gr7 h VAL 60 N 0.99 1.34 -0.07 2.57 2.07 -0.94 0.06 116.25 122.28 1gr7 h VAL 60 Ca 0.25 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1gr7 h VAL 60 Cb 0.07 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1gr7 h VAL 60 CO -0.04 0.33 -0.07 0.74 0.02 0.00 0.00 177.57 178.56 1gr7 h THR 61 N -0.17 0.81 -0.18 2.57 2.02 -1.19 -0.73 112.91 116.05 1gr7 h THR 61 Ca 0.02 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.07 1gr7 h THR 61 Cb 0.55 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1gr7 h THR 61 CO 0.02 0.00 -0.45 0.44 0.37 0.00 0.00 175.52 175.90 1gr7 h ASP 62 N -0.08 0.47 -0.70 4.18 3.45 -1.33 -3.09 116.42 119.32 1gr7 h ASP 62 Ca 0.05 -0.22 -0.07 0.00 0.43 0.00 0.00 57.03 57.22 1gr7 h ASP 62 Cb 0.16 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 1gr7 h ASP 62 CO -0.12 0.86 0.17 1.23 -1.57 0.00 0.00 179.24 179.81 1gr7 h GLY 63 N 1.15 1.21 0.98 2.75 0.00 -0.54 -2.81 103.07 105.82 1gr7 h GLY 63 Ca 0.02 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 46.66 1gr7 h GLY 63 CO 0.08 0.70 0.53 1.98 0.00 0.00 0.00 176.54 179.84 1gr7 h MET 64 N 1.05 0.90 0.00 4.80 1.85 -1.07 -1.61 114.93 120.85 1gr7 h MET 64 Ca 0.22 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1gr7 h MET 64 Cb 0.37 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.20 1gr7 h MET 64 CO 0.00 0.59 0.00 0.00 -0.40 0.00 0.00 176.91 177.11 1gr7 n ALA 65 N -2.42 2.39 0.18 0.39 0.00 -1.07 -3.77 120.51 116.21 1gr7 n ALA 65 Ca 0.12 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1gr7 n ALA 65 Cb 0.19 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.21 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 0.00 0.00 -4.48 0.00 0.02 -1.12 -3.51 113.55 104.46 1gr7 h SER 66 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1gr7 h SER 66 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1gr7 h SER 66 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1gr7 n GLY 67 N 1.19 -0.32 0.37 -3.77 0.00 -1.24 -4.30 105.19 97.12 1gr7 n GLY 67 Ca 0.01 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.33 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 1.05 -0.53 0.99 5.85 -1.93 -0.63 115.31 120.12 1gr7 h LEU 68 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1gr7 h LEU 68 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1gr7 h LEU 68 CO 0.00 0.72 0.00 -0.90 -0.34 0.00 0.00 178.44 177.92 1gr7 n ASP 69 N -4.44 0.69 -1.41 1.25 3.85 -1.26 -1.45 116.55 113.76 1gr7 n ASP 69 Ca 0.13 0.64 0.08 0.00 -0.71 0.00 0.00 54.79 54.93 1gr7 n ASP 69 Cb 0.10 -0.80 0.33 0.00 -1.35 0.00 0.00 41.12 39.41 1gr7 n ASP 69 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1gr7 n LYS 70 N -2.23 3.92 -2.78 0.11 4.76 -0.94 -4.95 118.16 116.05 1gr7 n LYS 70 Ca 0.03 -2.97 -0.19 0.00 -2.87 0.00 0.00 58.31 52.31 1gr7 n LYS 70 Cb 0.27 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 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 0.22 -4.85 -3.92 4.39 8.00 -0.53 -2.08 116.55 117.77 1gr7 n ASP 71 Ca 0.24 -0.10 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1gr7 n ASP 71 Cb 1.02 -4.02 0.02 0.00 -0.02 0.00 0.00 41.12 38.11 1gr7 n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1gr7 n TYR 72 N -3.93 -2.09 -3.98 1.24 4.01 -0.29 -4.74 117.16 107.39 1gr7 n TYR 72 Ca -0.13 0.86 -0.14 0.00 -0.16 0.00 0.00 57.90 58.33 1gr7 n TYR 72 Cb 0.61 -3.90 -0.15 0.00 -0.31 0.00 0.00 39.34 35.60 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 -7.13 1.81 0.03 7.72 1.43 -0.88 -4.25 118.68 117.41 1gr7 s LEU 73 Ca 0.48 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1gr7 s LEU 73 Cb -0.24 -0.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.77 1gr7 s LEU 73 CO 0.85 -0.00 1.51 -0.75 0.23 0.00 0.00 176.35 178.19 1gr7 s LYS 74 N 0.19 4.24 0.27 1.70 2.20 -1.26 -4.87 119.74 122.21 1gr7 s LYS 74 Ca -0.02 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 57.41 1gr7 s LYS 74 Cb -0.04 -3.59 -0.13 0.00 -1.51 0.00 0.00 37.83 32.57 1gr7 s LYS 74 CO -0.01 -0.65 1.42 -2.30 -0.36 0.00 0.00 175.35 173.46 1gr7 n PRO 75 N 5.49 2.19 -3.40 4.03 -0.02 -1.26 -2.30 135.00 139.73 1gr7 n PRO 75 Ca 0.14 0.78 -0.25 0.00 -2.02 0.00 0.00 63.50 62.15 1gr7 n PRO 75 Cb 0.42 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1gr7 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gr7 n ASP 76 N 1.83 -5.16 -4.65 2.55 10.43 -1.26 -4.90 116.55 115.39 1gr7 n ASP 76 Ca 0.09 -0.46 -0.43 0.00 2.57 0.00 0.00 54.79 56.57 1gr7 n ASP 76 Cb 0.34 -4.16 -0.03 0.00 1.84 0.00 0.00 41.12 39.11 1gr7 n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1gr7 s ASP 77 N -2.92 6.60 0.06 -2.24 -1.08 -0.97 -4.87 116.67 111.25 1gr7 s ASP 77 Ca 0.45 1.92 0.21 0.00 -0.52 0.00 0.00 52.55 54.61 1gr7 s ASP 77 Cb -0.22 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.57 1gr7 s ASP 77 CO 0.56 -1.03 1.66 -1.54 0.52 0.00 0.00 175.17 175.34 1gr7 n SER 78 N 7.56 0.19 0.11 -0.34 3.41 -1.26 -2.62 113.62 120.67 1gr7 n SER 78 Ca 0.17 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1gr7 n SER 78 Cb 0.44 -0.58 0.30 0.00 -0.26 0.00 0.00 64.21 64.11 1gr7 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1gr7 h ARG 79 N 0.00 0.00 -5.77 4.33 3.08 -1.97 -3.44 114.38 110.62 1gr7 h ARG 79 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1gr7 h ARG 79 Cb 0.38 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.31 1gr7 h ARG 79 CO 0.00 0.00 0.36 0.08 -1.07 0.00 0.00 179.97 179.34 1gr7 s VAL 80 N -3.14 4.75 0.13 2.04 1.01 -1.08 -4.48 120.40 119.63 1gr7 s VAL 80 Ca 0.09 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 1gr7 s VAL 80 Cb 0.11 -4.20 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 1gr7 s VAL 80 CO 0.65 -0.41 1.32 0.40 0.00 0.00 0.00 175.10 177.06 1gr7 h ILE 81 N 5.74 1.39 -2.00 2.22 2.04 -1.01 -3.48 117.51 122.41 1gr7 h ILE 81 Ca -0.25 -2.37 0.04 0.00 1.00 0.00 0.00 64.86 63.29 1gr7 h ILE 81 Cb 1.09 2.34 -0.19 0.00 -0.74 0.00 0.00 36.82 39.33 1gr7 h ILE 81 CO 0.90 0.71 0.41 0.00 0.00 0.00 0.00 178.15 180.18 1gr7 s ALA 82 N -3.35 -1.83 0.10 1.87 0.00 -1.23 -5.02 121.76 112.31 1gr7 s ALA 82 Ca -0.06 1.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 1gr7 s ALA 82 Cb 0.09 -0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.21 1gr7 s ALA 82 CO 0.86 -0.47 0.67 -3.38 0.00 0.00 0.00 175.76 173.45 1gr7 s HIS 83 N -1.93 -0.51 0.54 0.00 -3.43 -1.26 -1.34 115.29 107.37 1gr7 s HIS 83 Ca -0.02 0.37 0.09 0.00 -0.80 0.00 0.00 55.06 54.70 1gr7 s HIS 83 Cb -0.01 0.54 0.09 0.00 -1.43 0.00 0.00 32.58 31.78 1gr7 s HIS 83 CO -0.01 -0.76 0.75 0.25 -2.00 0.00 0.00 174.74 172.97 1gr7 n THR 84 N -0.23 0.00 -2.11 -5.38 -2.24 -0.66 -4.85 114.28 98.81 1gr7 n THR 84 Ca -0.15 -1.79 -0.27 0.00 -2.27 0.00 0.00 64.05 59.56 1gr7 n THR 84 Cb 0.64 -0.56 0.13 0.00 -2.10 0.00 0.00 70.33 68.43 1gr7 n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1gr7 s LYS 85 N -4.45 1.45 -0.14 -0.78 -2.85 -1.26 -4.63 119.74 107.08 1gr7 s LYS 85 Ca 0.57 -0.41 -0.24 0.00 -1.00 0.00 0.00 55.97 54.88 1gr7 s LYS 85 Cb -0.04 -2.03 -0.02 0.00 -2.06 0.00 0.00 37.83 33.67 1gr7 s LYS 85 CO 0.36 -1.80 0.78 -1.17 0.10 0.00 0.00 175.35 173.62 1gr7 s LEU 86 N -5.54 4.21 0.22 2.77 2.96 -1.26 -4.34 118.68 117.70 1gr7 s LEU 86 Ca 0.67 1.15 0.10 0.00 -0.22 0.00 0.00 54.13 55.83 1gr7 s LEU 86 Cb -0.07 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 1gr7 s LEU 86 CO 0.49 -0.31 -0.19 0.27 -1.32 0.00 0.00 176.35 175.28 1gr7 s ILE 87 N 1.77 2.13 0.53 6.68 -4.36 0.18 -4.90 121.20 123.23 1gr7 s ILE 87 Ca 0.37 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1gr7 s ILE 87 Cb -0.17 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.47 1gr7 s ILE 87 CO 0.14 -0.37 0.28 0.61 0.24 0.00 0.00 174.94 175.84 1gr7 n GLY 88 N -0.18 3.00 3.62 6.27 0.00 -1.26 -1.59 105.19 115.04 1gr7 n GLY 88 Ca -0.09 -2.32 -0.46 0.00 0.00 0.00 0.00 46.02 43.15 1gr7 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gr7 n SER 89 N -1.67 1.81 0.00 1.61 3.41 -0.72 -1.76 113.62 116.30 1gr7 n SER 89 Ca -0.08 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1gr7 n SER 89 Cb 0.62 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1gr7 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gr7 n GLY 90 N 1.68 1.57 4.00 5.00 0.00 -0.53 -4.95 105.19 111.96 1gr7 n GLY 90 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.00 2.75 0.02 1.61 2.02 -0.72 -4.97 118.70 119.40 1gr7 s GLU 91 Ca 0.00 -1.09 -0.15 0.00 0.02 0.00 0.00 54.97 53.75 1gr7 s GLU 91 Cb 0.00 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.58 1gr7 s GLU 91 CO 0.00 -0.39 0.33 0.15 0.02 0.00 0.00 175.26 175.37 1gr7 s LYS 92 N -4.47 0.77 0.06 1.61 1.02 -1.26 -2.95 119.74 114.53 1gr7 s LYS 92 Ca 0.55 -0.33 -0.21 0.00 0.02 0.00 0.00 55.97 56.00 1gr7 s LYS 92 Cb -0.10 0.34 0.05 0.00 -0.52 0.00 0.00 37.83 37.60 1gr7 s LYS 92 CO 0.35 -0.24 0.51 0.34 -0.92 0.00 0.00 175.35 175.39 1gr7 s ASP 93 N -1.71 -0.42 0.02 2.83 2.15 -0.44 -5.01 116.67 114.10 1gr7 s ASP 93 Ca -0.09 0.10 0.01 0.00 0.43 0.00 0.00 52.55 53.01 1gr7 s ASP 93 Cb -0.03 0.49 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1gr7 s ASP 93 CO 0.01 -0.75 -0.06 -0.55 -0.17 0.00 0.00 175.17 173.65 1gr7 s SER 94 N -2.12 0.62 -0.01 -0.34 0.15 -1.26 0.01 113.70 110.75 1gr7 s SER 94 Ca -0.04 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.23 1gr7 s SER 94 Cb -0.00 0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1gr7 s SER 94 CO -0.04 -0.14 -0.02 0.54 1.20 0.00 0.00 173.24 174.78 1gr7 s VAL 95 N -0.99 0.20 -0.08 4.45 0.11 -0.72 -4.93 120.40 118.43 1gr7 s VAL 95 Ca -0.07 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1gr7 s VAL 95 Cb -0.07 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1gr7 s VAL 95 CO -0.00 0.08 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.72 1gr7 s THR 96 N 0.25 2.12 0.08 5.04 2.01 -1.26 -0.81 115.64 123.06 1gr7 s THR 96 Ca -0.02 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1gr7 s THR 96 Cb -0.05 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1gr7 s THR 96 CO -0.01 0.56 -0.07 0.72 -0.69 0.00 0.00 174.62 175.14 1gr7 s PHE 97 N 0.07 0.83 0.06 4.92 -0.12 -0.22 -4.95 117.98 118.56 1gr7 s PHE 97 Ca -0.10 -0.78 -0.31 0.00 -0.05 0.00 0.00 56.93 55.69 1gr7 s PHE 97 Cb -0.16 -0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 41.69 1gr7 s PHE 97 CO 0.06 -0.12 1.30 -0.51 -0.05 0.00 0.00 175.22 175.89 1gr7 s ASP 98 N -2.56 6.95 0.33 1.98 1.01 -1.26 -0.93 116.67 122.19 1gr7 s ASP 98 Ca 0.05 2.12 0.02 0.00 0.71 0.00 0.00 52.55 55.45 1gr7 s ASP 98 Cb 0.00 -2.58 0.56 0.00 1.01 0.00 0.00 42.92 41.92 1gr7 s ASP 98 CO -0.03 -0.58 1.92 0.58 0.21 0.00 0.00 175.17 177.27 1gr7 h VAL 99 N 4.52 1.19 0.00 -1.27 2.07 -1.51 -1.90 116.25 119.35 1gr7 h VAL 99 Ca -0.41 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1gr7 h VAL 99 Cb 1.20 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1gr7 h VAL 99 CO 0.85 0.23 0.00 -2.65 0.02 0.00 0.00 177.57 176.02 1gr7 n PRO 100 N -4.35 0.02 0.13 1.57 -0.02 -1.26 -0.92 135.00 130.17 1gr7 n PRO 100 Ca 0.04 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1gr7 n PRO 100 Cb 0.15 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.61 1gr7 n PRO 100 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gr7 n LYS 101 N -1.27 0.23 -4.19 -0.52 5.02 -0.71 -4.77 118.16 111.94 1gr7 n LYS 101 Ca 0.01 0.38 -0.22 0.00 -2.02 0.00 0.00 58.31 56.45 1gr7 n LYS 101 Cb 0.01 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.09 1gr7 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gr7 s LEU 102 N -4.58 3.51 0.05 -0.35 1.43 -0.10 -5.12 118.68 113.52 1gr7 s LEU 102 Ca 0.06 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1gr7 s LEU 102 Cb 0.10 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1gr7 s LEU 102 CO 0.45 -0.03 -0.05 -1.59 0.23 0.00 0.00 176.35 175.37 1gr7 s LYS 103 N -3.77 0.54 0.55 1.70 -2.85 -1.26 -5.03 119.74 109.62 1gr7 s LYS 103 Ca 0.32 -0.96 -0.20 0.00 -1.00 0.00 0.00 55.97 54.14 1gr7 s LYS 103 Cb -0.07 0.01 -0.05 0.00 -2.06 0.00 0.00 37.83 35.66 1gr7 s LYS 103 CO 0.23 -0.04 1.21 -1.21 0.10 0.00 0.00 175.35 175.63 1gr7 s GLU 104 N -2.66 3.22 0.00 1.78 2.02 -1.26 -3.10 118.70 118.70 1gr7 s GLU 104 Ca -0.03 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.81 1gr7 s GLU 104 Cb -0.02 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1gr7 s GLU 104 CO -0.04 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.64 1gr7 n GLY 105 N 0.48 0.74 3.76 -1.39 0.00 -1.26 -5.01 105.19 102.52 1gr7 n GLY 105 Ca 0.11 0.00 -0.36 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 -0.22 3.26 -0.17 1.61 2.12 -1.18 -5.09 118.70 119.04 1gr7 s GLU 106 Ca 0.00 -0.29 -0.18 0.00 0.36 0.00 0.00 54.97 54.86 1gr7 s GLU 106 Cb 0.00 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1gr7 s GLU 106 CO 0.00 0.69 0.48 -1.14 -0.54 0.00 0.00 175.26 174.75 1gr7 s GLN 107 N -0.82 4.24 0.11 4.30 2.00 -1.26 -4.84 119.66 123.40 1gr7 s GLN 107 Ca 0.13 0.38 0.08 0.00 -2.00 0.00 0.00 55.36 53.95 1gr7 s GLN 107 Cb -0.12 -3.51 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 1gr7 s GLN 107 CO 0.03 -0.01 -0.12 0.71 -0.50 0.00 0.00 175.29 175.40 1gr7 s TYR 108 N 1.18 2.69 0.01 1.67 2.02 -1.19 -0.98 117.35 122.75 1gr7 s TYR 108 Ca 0.24 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.80 1gr7 s TYR 108 Cb -0.15 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1gr7 s TYR 108 CO 0.09 0.43 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.71 1gr7 s MET 109 N -2.26 1.11 0.08 -0.62 -1.94 -0.28 -1.53 119.30 113.86 1gr7 s MET 109 Ca 0.21 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.60 1gr7 s MET 109 Cb -0.11 -1.11 -0.04 0.00 2.01 0.00 0.00 34.83 35.59 1gr7 s MET 109 CO 0.13 0.29 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.76 1gr7 s PHE 110 N -0.57 2.80 0.10 -0.03 -0.71 -0.40 -2.05 117.98 117.13 1gr7 s PHE 110 Ca 0.04 -0.12 -0.26 0.00 -1.04 0.00 0.00 56.93 55.56 1gr7 s PHE 110 Cb -0.07 -1.48 0.08 0.00 -1.21 0.00 0.00 43.02 40.34 1gr7 s PHE 110 CO 0.00 0.42 0.84 -0.59 -1.34 0.00 0.00 175.22 174.55 1gr7 s PHE 111 N -1.18 -0.30 -0.15 3.49 -0.71 -0.50 -1.22 117.98 117.41 1gr7 s PHE 111 Ca 0.21 0.07 -0.07 0.00 -1.04 0.00 0.00 56.93 56.10 1gr7 s PHE 111 Cb -0.11 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1gr7 s PHE 111 CO 0.13 -0.75 0.10 0.00 -1.34 0.00 0.00 175.22 173.35 1gr7 n THR 113 N 2.70 0.16 -1.74 0.00 -2.24 -1.26 -3.08 114.28 108.82 1gr7 n THR 113 Ca -0.18 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1gr7 n THR 113 Cb 0.53 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 70.02 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 1.32 2.75 -1.71 4.78 7.35 -1.26 -4.41 117.46 126.27 1gr7 n PHE 114 Ca 0.16 0.32 -0.59 0.00 -0.76 0.00 0.00 57.45 56.58 1gr7 n PHE 114 Cb 0.59 -2.56 -0.07 0.00 0.35 0.00 0.00 39.48 37.78 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 1.84 1.04 0.00 -7.13 -0.02 -1.26 -0.90 135.00 128.57 1gr7 n PRO 115 Ca 0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1gr7 n PRO 115 Cb 0.36 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.16 2.87 0.22 -1.23 0.00 -1.26 -4.88 105.19 105.07 1gr7 n GLY 116 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 0.05 0.00 1.61 3.86 -1.28 -2.89 115.15 116.49 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 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1gr7 h HIS 117 CO 0.00 0.26 0.00 0.66 0.86 0.00 0.00 177.93 179.71 1gr7 h SER 118 N 0.04 0.00 -0.88 2.45 4.64 -1.70 0.17 113.55 118.27 1gr7 h SER 118 Ca 0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1gr7 h SER 118 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 1gr7 h SER 118 CO 0.03 0.00 0.57 0.00 -0.87 0.00 0.00 176.83 176.56 1gr7 h ALA 119 N 2.07 1.17 0.00 5.18 0.00 -1.85 -3.32 119.26 122.51 1gr7 h ALA 119 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1gr7 h ALA 119 Cb 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1gr7 h ALA 119 CO 0.00 0.40 -1.86 1.28 0.00 0.00 0.00 179.25 179.08 1gr7 n LEU 120 N -4.54 0.70 -3.99 0.00 4.32 -0.80 -4.81 117.00 107.88 1gr7 n LEU 120 Ca 0.11 -0.02 -0.43 0.00 -0.02 0.00 0.00 56.01 55.66 1gr7 n LEU 120 Cb 0.10 0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1gr7 n LEU 120 CO 0.34 0.41 1.74 0.23 -1.22 0.00 0.00 177.39 178.89 1gr7 n MET 121 N -2.57 3.69 -3.83 3.23 2.81 0.53 -4.80 117.12 116.16 1gr7 n MET 121 Ca -0.22 -3.72 -0.10 0.00 -1.81 0.00 0.00 57.70 51.85 1gr7 n MET 121 Cb 0.88 -2.88 -0.08 0.00 -0.71 0.00 0.00 33.22 30.42 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 0.14 0.75 0.22 0.03 -2.85 -1.26 -1.78 119.74 114.99 1gr7 s LYS 122 Ca 0.39 -0.70 -0.22 0.00 -1.00 0.00 0.00 55.97 54.45 1gr7 s LYS 122 Cb 0.07 0.31 0.06 0.00 -2.06 0.00 0.00 37.83 36.21 1gr7 s LYS 122 CO 0.01 -0.23 0.94 0.20 0.10 0.00 0.00 175.35 176.38 1gr7 s GLY 123 N -2.28 0.04 -0.02 0.59 0.00 -0.36 -4.82 107.32 100.47 1gr7 s GLY 123 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 1gr7 s GLY 123 CO -0.06 0.94 0.09 -0.51 0.00 0.00 0.00 173.10 173.56 1gr7 s THR 124 N -2.67 4.83 -0.05 0.90 -4.23 -0.67 -1.27 115.64 112.48 1gr7 s THR 124 Ca 0.17 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1gr7 s THR 124 Cb -0.03 -3.19 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 1gr7 s THR 124 CO 0.06 0.39 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.12 1gr7 s LEU 125 N -1.63 1.93 0.01 4.79 0.20 -0.59 -1.00 118.68 122.40 1gr7 s LEU 125 Ca 0.22 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1gr7 s LEU 125 Cb -0.12 -1.06 -0.01 0.00 -0.43 0.00 0.00 46.19 44.57 1gr7 s LEU 125 CO 0.13 0.16 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.36 1gr7 s THR 126 N 0.09 0.73 -0.20 3.68 2.01 -0.73 -3.14 115.64 118.07 1gr7 s THR 126 Ca -0.06 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 1gr7 s THR 126 Cb -0.13 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1gr7 s THR 126 CO 0.03 0.07 0.35 -0.22 -0.69 0.00 0.00 174.62 174.17 1gr7 s LEU 127 N -0.57 4.16 0.00 4.42 2.96 -1.26 -0.19 118.68 128.20 1gr7 s LEU 127 Ca 0.01 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1gr7 s LEU 127 Cb -0.05 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1gr7 s LEU 127 CO 0.00 -0.03 0.13 0.29 -1.32 0.00 0.00 176.35 175.42