#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gr7 h SER 3 N 0.00 0.00 -5.10 0.00 0.87 -1.90 -2.01 113.55 105.41 1gr7 h SER 3 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1gr7 h SER 3 Cb 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.80 1gr7 h SER 3 CO 0.00 0.49 -0.39 -0.94 -0.53 0.00 0.00 176.83 175.46 1gr7 s SER 4 N -5.74 0.07 -0.03 6.23 1.04 -1.26 -2.19 113.70 111.82 1gr7 s SER 4 Ca -0.02 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 1gr7 s SER 4 Cb 0.09 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1gr7 s SER 4 CO 0.81 -0.61 0.11 0.54 0.98 0.00 0.00 173.24 175.06 1gr7 s VAL 5 N -3.01 0.02 -0.27 5.02 0.11 -0.25 -4.95 120.40 117.07 1gr7 s VAL 5 Ca -0.02 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 1gr7 s VAL 5 Cb 0.01 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1gr7 s VAL 5 CO -0.06 -0.07 0.19 -1.81 -3.33 0.00 0.00 175.10 170.01 1gr7 s ASP 6 N -0.20 6.06 -0.04 3.54 -0.00 -1.26 -0.90 116.67 123.86 1gr7 s ASP 6 Ca -0.03 0.04 0.07 0.00 -0.00 0.00 0.00 52.55 52.63 1gr7 s ASP 6 Cb -0.02 -2.12 -0.01 0.00 -0.00 0.00 0.00 42.92 40.77 1gr7 s ASP 6 CO 0.00 -0.02 -0.25 -0.63 -0.00 0.00 0.00 175.17 174.28 1gr7 s ILE 7 N 1.54 2.02 -0.04 0.77 -1.09 0.63 -4.96 121.20 120.06 1gr7 s ILE 7 Ca 0.07 -1.06 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1gr7 s ILE 7 Cb -0.15 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 1gr7 s ILE 7 CO 0.09 0.57 -0.19 -1.10 -1.23 0.00 0.00 174.94 173.07 1gr7 s GLN 8 N -0.31 2.39 -0.12 2.79 1.11 -1.26 -1.22 119.66 123.03 1gr7 s GLN 8 Ca 0.01 -0.79 0.03 0.00 0.01 0.00 0.00 55.36 54.62 1gr7 s GLN 8 Cb -0.12 -2.25 0.01 0.00 -1.01 0.00 0.00 33.01 29.63 1gr7 s GLN 8 CO 0.02 0.57 -0.23 0.20 0.01 0.00 0.00 175.29 175.87 1gr7 s GLY 9 N -0.62 1.35 0.23 3.09 0.00 -0.25 -1.59 107.32 109.53 1gr7 s GLY 9 Ca 0.09 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1gr7 s GLY 9 CO 0.00 -0.15 0.10 1.16 0.00 0.00 0.00 173.10 174.21 1gr7 n ASN 10 N 3.84 2.14 0.00 1.64 0.23 -0.96 -3.71 115.26 118.44 1gr7 n ASN 10 Ca -0.20 -1.88 0.12 0.00 -0.53 0.00 0.00 54.58 52.09 1gr7 n ASN 10 Cb 0.52 0.06 0.64 0.00 -2.08 0.00 0.00 39.78 38.92 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 -1.58 0.00 -1.36 0.53 10.43 -1.26 -2.59 116.55 120.73 1gr7 n ASP 11 Ca -0.05 -0.17 0.06 0.00 2.57 0.00 0.00 54.79 57.21 1gr7 n ASP 11 Cb 0.27 -0.24 0.28 0.00 1.84 0.00 0.00 41.12 43.27 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 -1.24 3.35 -3.66 -1.24 6.02 -1.26 -4.93 117.38 114.42 1gr7 n GLN 12 Ca 0.13 -2.19 -0.24 0.00 -0.01 0.00 0.00 57.00 54.68 1gr7 n GLN 12 Cb 0.18 -1.86 0.07 0.00 1.02 0.00 0.00 30.24 29.65 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 0.66 -7.09 -3.97 -1.09 0.00 -1.07 -5.00 117.12 99.56 1gr7 n MET 13 Ca 0.20 0.77 -0.09 0.00 -0.00 0.00 0.00 57.70 58.57 1gr7 n MET 13 Cb 0.79 -5.75 -0.10 0.00 0.00 0.00 0.00 33.22 28.15 1gr7 n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1gr7 s GLN 14 N -6.25 0.46 0.70 2.12 -0.21 -1.26 -4.40 119.66 110.81 1gr7 s GLN 14 Ca 0.50 -0.73 -0.09 0.00 0.02 0.00 0.00 55.36 55.06 1gr7 s GLN 14 Cb -0.23 0.17 0.04 0.00 1.00 0.00 0.00 33.01 33.99 1gr7 s GLN 14 CO 0.76 -0.09 1.04 -0.06 -2.12 0.00 0.00 175.29 174.81 1gr7 s PHE 15 N -2.20 3.10 0.04 0.91 2.99 -1.26 -2.27 117.98 119.29 1gr7 s PHE 15 Ca -0.09 0.69 0.20 0.00 0.00 0.00 0.00 56.93 57.73 1gr7 s PHE 15 Cb -0.04 -3.11 0.60 0.00 0.00 0.00 0.00 43.02 40.47 1gr7 s PHE 15 CO -0.03 -1.29 1.69 -2.95 -0.00 0.00 0.00 175.22 172.64 1gr7 h ASN 16 N -0.60 0.00 -4.12 1.36 -1.07 -1.68 -3.46 115.58 106.01 1gr7 h ASN 16 Ca -0.45 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.54 1gr7 h ASN 16 Cb 1.29 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.36 1gr7 h ASN 16 CO 0.62 0.33 -0.75 0.28 0.07 0.00 0.00 177.43 177.99 1gr7 s THR 17 N -3.43 1.22 -0.73 6.14 -1.32 -1.26 -5.04 115.64 111.21 1gr7 s THR 17 Ca 0.02 -1.72 0.08 0.00 -1.21 0.00 0.00 61.69 58.85 1gr7 s THR 17 Cb 0.09 -1.50 0.18 0.00 -1.51 0.00 0.00 72.50 69.76 1gr7 s THR 17 CO 0.68 -0.48 1.07 0.59 -2.21 0.00 0.00 174.62 174.28 1gr7 n ASN 18 N 0.49 2.41 -3.72 8.08 5.03 -1.26 -4.87 115.26 121.42 1gr7 n ASN 18 Ca -0.15 -1.84 -0.12 0.00 0.87 0.00 0.00 54.58 53.34 1gr7 n ASN 18 Cb 0.57 -0.12 -0.11 0.00 -1.02 0.00 0.00 39.78 39.11 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 -0.91 -1.00 -0.03 5.41 0.00 -1.26 -1.51 121.76 122.45 1gr7 s ALA 19 Ca 0.15 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1gr7 s ALA 19 Cb 0.08 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1gr7 s ALA 19 CO 0.11 -0.22 -0.13 0.42 0.00 0.00 0.00 175.76 175.93 1gr7 s ILE 20 N 0.79 1.09 -0.13 0.00 1.01 -0.61 -4.97 121.20 118.37 1gr7 s ILE 20 Ca -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1gr7 s ILE 20 Cb -0.06 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1gr7 s ILE 20 CO -0.06 0.32 -0.15 -0.89 0.00 0.00 0.00 174.94 174.16 1gr7 s THR 21 N 0.07 2.80 -0.16 2.92 2.01 -1.26 -1.87 115.64 120.15 1gr7 s THR 21 Ca -0.02 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1gr7 s THR 21 Cb -0.09 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1gr7 s THR 21 CO 0.01 0.53 0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 1gr7 s VAL 22 N 0.49 4.40 -0.26 3.82 1.01 0.42 -0.54 120.40 129.73 1gr7 s VAL 22 Ca -0.10 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1gr7 s VAL 22 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1gr7 s VAL 22 CO 0.05 0.50 1.34 -0.62 0.00 0.00 0.00 175.10 176.36 1gr7 s ASP 23 N 0.16 6.68 0.64 3.32 -1.08 -0.75 -0.94 116.67 124.69 1gr7 s ASP 23 Ca 0.02 1.35 0.32 0.00 -0.52 0.00 0.00 52.55 53.72 1gr7 s ASP 23 Cb -0.13 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.53 1gr7 s ASP 23 CO 0.02 -1.05 2.02 0.11 0.52 0.00 0.00 175.17 176.79 1gr7 h LYS 24 N 9.29 0.00 -3.06 4.34 1.57 -1.92 -3.46 116.57 123.33 1gr7 h LYS 24 Ca -0.27 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.83 1gr7 h LYS 24 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1gr7 h LYS 24 CO 1.02 0.00 3.70 -1.13 -0.57 0.00 0.00 179.45 182.47 1gr7 n SER 25 N -3.22 8.30 0.00 0.86 3.41 -1.26 -5.02 113.62 116.69 1gr7 n SER 25 Ca 0.00 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1gr7 n SER 25 Cb 0.36 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 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 3.67 1.25 -4.15 4.33 5.02 -1.26 -5.18 118.16 121.84 1gr7 n LYS 27 Ca 0.75 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 1gr7 n LYS 27 Cb 0.25 -0.90 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.80 0.79 -0.02 1.97 -0.21 -1.26 -1.29 119.66 117.84 1gr7 s GLN 28 Ca 0.00 -1.31 0.02 0.00 0.02 0.00 0.00 55.36 54.09 1gr7 s GLN 28 Cb 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.88 1gr7 s GLN 28 CO 0.00 -0.03 -0.06 0.12 -2.12 0.00 0.00 175.29 173.19 1gr7 s PHE 29 N -3.67 0.69 -0.10 0.91 2.19 -0.43 -4.82 117.98 112.75 1gr7 s PHE 29 Ca 0.11 -0.15 0.04 0.00 0.33 0.00 0.00 56.93 57.26 1gr7 s PHE 29 Cb 0.06 -0.50 -0.00 0.00 -1.31 0.00 0.00 43.02 41.26 1gr7 s PHE 29 CO -0.06 -0.07 -0.24 0.99 1.83 0.00 0.00 175.22 177.67 1gr7 s THR 30 N 0.18 2.06 -0.22 0.12 2.01 -0.93 -1.03 115.64 117.82 1gr7 s THR 30 Ca -0.02 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 1gr7 s THR 30 Cb -0.07 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1gr7 s THR 30 CO -0.00 0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 1gr7 s VAL 31 N 0.32 3.71 -0.26 3.82 1.01 -0.01 -1.09 120.40 127.89 1gr7 s VAL 31 Ca -0.18 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1gr7 s VAL 31 Cb -0.18 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1gr7 s VAL 31 CO 0.09 0.40 0.11 0.20 0.00 0.00 0.00 175.10 175.90 1gr7 s ASN 32 N 1.40 5.39 -0.14 3.32 0.01 -0.08 -1.44 114.94 123.41 1gr7 s ASN 32 Ca 0.05 -0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 51.97 1gr7 s ASN 32 Cb -0.15 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 1gr7 s ASN 32 CO -0.00 -0.06 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.26 1gr7 s LEU 33 N 1.65 3.20 0.29 0.60 2.96 0.11 -0.27 118.68 127.22 1gr7 s LEU 33 Ca 0.06 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1gr7 s LEU 33 Cb -0.16 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 1gr7 s LEU 33 CO 0.06 0.20 0.01 -0.94 -1.32 0.00 0.00 176.35 174.36 1gr7 s SER 34 N 0.18 2.34 -0.43 3.68 1.04 -0.36 -1.32 113.70 118.82 1gr7 s SER 34 Ca -0.02 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.14 1gr7 s SER 34 Cb -0.14 -0.08 0.14 0.00 0.10 0.00 0.00 66.02 66.04 1gr7 s SER 34 CO 0.03 -0.51 0.25 -2.28 0.98 0.00 0.00 173.24 171.71 1gr7 s HIS 35 N -3.25 1.77 0.97 5.02 2.46 -1.12 -1.09 115.29 120.05 1gr7 s HIS 35 Ca 0.33 -2.32 -0.12 0.00 0.47 0.00 0.00 55.06 53.43 1gr7 s HIS 35 Cb 0.07 -1.69 0.17 0.00 -0.13 0.00 0.00 32.58 31.00 1gr7 s HIS 35 CO 0.13 -0.78 1.09 -1.25 -2.47 0.00 0.00 174.74 171.45 1gr7 s PRO 36 N 0.39 0.63 0.00 2.88 0.04 -1.24 -1.02 135.00 136.68 1gr7 s PRO 36 Ca 0.19 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1gr7 s PRO 36 Cb -0.22 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1gr7 s PRO 36 CO -0.01 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.72 1gr7 n GLY 37 N -0.34 -0.84 0.00 0.56 0.00 -1.26 -4.06 105.19 99.25 1gr7 n GLY 37 Ca 0.07 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.05 -4.81 1.61 4.13 -1.26 -4.51 115.26 110.47 1gr7 n ASN 38 Ca 0.00 -0.34 -0.37 0.00 1.68 0.00 0.00 54.58 55.55 1gr7 n ASN 38 Cb 0.00 0.47 -0.06 0.00 -1.54 0.00 0.00 39.78 38.65 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 -0.94 4.45 0.84 3.41 1.43 -1.26 -4.80 118.68 121.81 1gr7 s LEU 39 Ca 0.00 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 1gr7 s LEU 39 Cb 0.00 -3.30 0.10 0.00 0.03 0.00 0.00 46.19 43.02 1gr7 s LEU 39 CO 0.00 0.14 1.17 -2.16 0.23 0.00 0.00 176.35 175.73 1gr7 s PRO 40 N -1.57 1.71 0.56 1.29 0.04 -1.26 -0.36 135.00 135.41 1gr7 s PRO 40 Ca 0.37 0.17 0.32 0.00 0.04 0.00 0.00 61.00 61.89 1gr7 s PRO 40 Cb -0.19 -1.92 1.66 0.00 0.04 0.00 0.00 34.50 34.10 1gr7 s PRO 40 CO 0.21 -1.78 2.14 1.57 0.04 0.00 0.00 177.00 179.17 1gr7 h LYS 41 N -1.20 0.00 -0.00 4.56 2.10 -1.85 -1.51 116.57 118.67 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 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1gr7 h LYS 41 CO 0.65 0.07 -0.01 0.27 -2.00 0.00 0.00 179.45 178.43 1gr7 n ASN 42 N -3.48 0.02 -0.01 7.07 0.23 -1.26 -2.17 115.26 115.66 1gr7 n ASN 42 Ca -0.02 0.05 -0.02 0.00 -0.53 0.00 0.00 54.58 54.07 1gr7 n ASN 42 Cb 0.20 -0.34 -0.01 0.00 -2.08 0.00 0.00 39.78 37.55 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 -1.35 0.13 -2.68 3.53 0.31 -0.97 -4.87 118.33 112.44 1gr7 n VAL 43 Ca 0.12 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1gr7 n VAL 43 Cb 0.28 -0.59 0.04 0.00 -0.91 0.00 0.00 33.84 32.66 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 -2.56 1.20 -2.33 5.55 0.00 -0.61 -5.03 117.12 113.35 1gr7 n MET 44 Ca -0.04 -3.12 -0.39 0.00 -0.00 0.00 0.00 57.70 54.15 1gr7 n MET 44 Cb 0.54 -1.14 -0.03 0.00 0.00 0.00 0.00 33.22 32.59 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 -2.98 2.96 -0.01 -5.12 0.00 -0.92 -4.73 107.32 96.52 1gr7 s GLY 45 Ca 0.26 1.00 0.03 0.00 0.00 0.00 0.00 44.72 46.01 1gr7 s GLY 45 CO 0.02 1.57 -0.10 0.30 0.00 0.00 0.00 173.10 174.90 1gr7 s HIS 46 N -1.27 0.86 0.35 1.90 3.76 -0.65 -4.66 115.29 115.58 1gr7 s HIS 46 Ca 0.51 -0.16 0.05 0.00 -0.15 0.00 0.00 55.06 55.30 1gr7 s HIS 46 Cb -0.33 -0.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.74 1gr7 s HIS 46 CO 0.42 -0.02 0.03 0.54 -0.85 0.00 0.00 174.74 174.87 1gr7 s ASN 47 N -0.22 2.88 -0.16 1.40 2.20 -1.26 -0.70 114.94 119.08 1gr7 s ASN 47 Ca 0.04 -1.36 0.02 0.00 -0.94 0.00 0.00 52.86 50.61 1gr7 s ASN 47 Cb -0.04 -0.19 0.02 0.00 -2.00 0.00 0.00 41.25 39.04 1gr7 s ASN 47 CO -0.00 -0.54 -0.20 0.86 -2.94 0.00 0.00 177.10 174.28 1gr7 s TRP 48 N -3.09 2.62 -0.03 1.54 -0.00 -1.26 -4.02 118.94 114.70 1gr7 s TRP 48 Ca 0.36 -1.45 0.02 0.00 -0.00 0.00 0.00 56.10 55.03 1gr7 s TRP 48 Cb 0.09 -1.81 0.01 0.00 -0.00 0.00 0.00 33.47 31.75 1gr7 s TRP 48 CO 0.16 -0.70 -0.09 0.08 -0.00 0.00 0.00 176.95 176.40 1gr7 s VAL 49 N 1.12 0.79 -0.08 5.86 1.01 -0.32 -1.46 120.40 127.31 1gr7 s VAL 49 Ca -0.00 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1gr7 s VAL 49 Cb -0.14 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1gr7 s VAL 49 CO -0.08 0.25 -0.24 -0.22 0.00 0.00 0.00 175.10 174.81 1gr7 s LEU 50 N 0.34 2.07 0.23 3.92 2.96 -0.46 -0.71 118.68 127.03 1gr7 s LEU 50 Ca -0.06 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1gr7 s LEU 50 Cb -0.10 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 1gr7 s LEU 50 CO 0.01 0.19 0.43 -0.94 -1.32 0.00 0.00 176.35 174.72 1gr7 s SER 51 N 0.12 -0.06 0.76 3.68 1.04 -0.91 -0.83 113.70 117.50 1gr7 s SER 51 Ca -0.12 -0.96 -0.13 0.00 0.48 0.00 0.00 55.95 55.23 1gr7 s SER 51 Cb -0.16 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1gr7 s SER 51 CO 0.06 -1.08 1.13 0.42 0.98 0.00 0.00 173.24 174.75 1gr7 s THR 52 N -4.02 2.82 0.25 2.02 -4.23 -1.26 -1.24 115.64 109.98 1gr7 s THR 52 Ca 0.23 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1gr7 s THR 52 Cb 0.00 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 71.34 1gr7 s THR 52 CO 0.08 -0.29 1.82 0.00 -0.54 0.00 0.00 174.62 175.69 1gr7 h ALA 53 N -0.80 1.27 -0.40 3.99 0.00 -1.52 -1.74 119.26 120.07 1gr7 h ALA 53 Ca -0.45 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1gr7 h ALA 53 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1gr7 h ALA 53 CO 0.50 0.14 0.27 0.00 0.00 0.00 0.00 179.25 180.15 1gr7 h ALA 54 N 1.48 1.95 0.00 0.00 0.00 -1.91 -2.71 119.26 118.07 1gr7 h ALA 54 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1gr7 h ALA 54 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gr7 h ALA 54 CO -0.25 -0.02 -0.71 -0.25 0.00 0.00 0.00 179.25 178.02 1gr7 n ASP 55 N -4.48 0.64 -0.13 0.00 8.00 -0.69 -4.49 116.55 115.40 1gr7 n ASP 55 Ca 0.05 -0.39 -0.04 0.00 0.71 0.00 0.00 54.79 55.12 1gr7 n ASP 55 Cb 0.22 0.51 0.04 0.00 -0.02 0.00 0.00 41.12 41.88 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 0.21 -0.33 -1.24 1.85 -1.13 -2.20 114.93 112.09 1gr7 h MET 56 Ca 0.00 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 1gr7 h MET 56 Cb 0.55 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.50 1gr7 h MET 56 CO 0.00 0.14 0.09 0.37 -0.40 0.00 0.00 176.91 177.11 1gr7 h GLN 57 N 0.22 0.22 -0.80 0.39 5.75 -1.79 -0.95 115.11 118.16 1gr7 h GLN 57 Ca 0.21 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1gr7 h GLN 57 Cb 0.26 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1gr7 h GLN 57 CO -0.28 0.14 0.41 0.78 -2.65 0.00 0.00 178.83 177.24 1gr7 h GLY 58 N 0.23 1.21 0.99 2.39 0.00 -1.77 -0.37 103.07 105.75 1gr7 h GLY 58 Ca 0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1gr7 h GLY 58 CO -0.17 0.55 0.18 -2.08 0.00 0.00 0.00 176.54 175.02 1gr7 h VAL 59 N 1.12 1.24 -0.26 4.60 2.07 -0.90 -2.10 116.25 122.01 1gr7 h VAL 59 Ca 0.28 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1gr7 h VAL 59 Cb 0.08 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1gr7 h VAL 59 CO -0.04 0.30 -0.07 0.58 0.02 0.00 0.00 177.57 178.36 1gr7 h VAL 60 N 0.80 1.29 -0.03 2.57 2.07 -0.91 0.95 116.25 122.99 1gr7 h VAL 60 Ca 0.18 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1gr7 h VAL 60 Cb 0.27 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1gr7 h VAL 60 CO -0.01 0.34 0.01 0.74 0.02 0.00 0.00 177.57 178.68 1gr7 h THR 61 N 0.25 1.09 -0.25 2.57 2.02 -1.04 -1.66 112.91 115.89 1gr7 h THR 61 Ca 0.06 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1gr7 h THR 61 Cb 0.54 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1gr7 h THR 61 CO 0.03 0.07 -0.38 0.44 0.37 0.00 0.00 175.52 176.05 1gr7 h ASP 62 N -0.07 0.59 -0.74 4.18 3.45 -1.36 -3.13 116.42 119.36 1gr7 h ASP 62 Ca 0.01 -0.25 -0.06 0.00 0.43 0.00 0.00 57.03 57.15 1gr7 h ASP 62 Cb 0.11 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 1gr7 h ASP 62 CO -0.00 0.91 0.22 1.23 -1.57 0.00 0.00 179.24 180.03 1gr7 h GLY 63 N 1.05 1.23 0.64 2.75 0.00 -0.57 -2.73 103.07 105.43 1gr7 h GLY 63 Ca 0.05 -0.74 0.11 0.00 0.00 0.00 0.00 47.33 46.75 1gr7 h GLY 63 CO 0.07 0.69 0.59 1.98 0.00 0.00 0.00 176.54 179.87 1gr7 h MET 64 N 1.10 0.86 0.00 4.80 1.85 -1.25 -0.75 114.93 121.53 1gr7 h MET 64 Ca 0.24 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 1gr7 h MET 64 Cb 0.32 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.15 1gr7 h MET 64 CO -0.01 0.57 0.00 0.00 -0.40 0.00 0.00 176.91 177.07 1gr7 n ALA 65 N -2.40 2.31 0.19 0.39 0.00 -1.04 -3.80 120.51 116.16 1gr7 n ALA 65 Ca 0.16 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1gr7 n ALA 65 Cb 0.34 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -4.35 0.00 0.02 -0.97 -3.51 113.55 104.74 1gr7 h SER 66 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1gr7 h SER 66 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 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 1.18 -0.80 0.37 -3.77 0.00 -1.24 -4.31 105.19 96.62 1gr7 n GLY 67 Ca 0.02 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 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 1.11 -1.44 0.99 5.85 -1.93 -1.29 115.31 118.60 1gr7 h LEU 68 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1gr7 h LEU 68 Cb 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1gr7 h LEU 68 CO 0.00 0.78 0.00 -2.24 -0.34 0.00 0.00 178.44 176.64 1gr7 h ASP 69 N 1.30 0.00 -0.62 1.25 -0.00 -2.02 -1.64 116.42 114.69 1gr7 h ASP 69 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.41 1gr7 h ASP 69 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 1gr7 h ASP 69 CO -0.10 0.00 0.00 0.29 -0.00 0.00 0.00 179.24 179.43 1gr7 n LYS 70 N -2.99 4.34 -2.46 4.15 4.76 -1.02 -4.93 118.16 120.02 1gr7 n LYS 70 Ca 0.01 -3.04 -0.21 0.00 -2.87 0.00 0.00 58.31 52.20 1gr7 n LYS 70 Cb 0.29 -2.09 -0.01 0.00 -1.84 0.00 0.00 35.03 31.38 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 0.91 -5.83 -3.93 4.39 8.00 -0.61 -1.90 116.55 117.57 1gr7 n ASP 71 Ca 0.27 -0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.44 1gr7 n ASP 71 Cb 1.05 -4.85 0.02 0.00 -0.02 0.00 0.00 41.12 37.33 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 -4.02 -2.27 -4.15 1.24 4.01 -0.52 -4.69 117.16 106.77 1gr7 n TYR 72 Ca -0.23 0.90 -0.18 0.00 -0.16 0.00 0.00 57.90 58.23 1gr7 n TYR 72 Cb 0.68 -3.94 -0.16 0.00 -0.31 0.00 0.00 39.34 35.62 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 -7.27 1.53 0.10 7.72 1.43 -0.80 -4.22 118.68 117.18 1gr7 s LEU 73 Ca 0.65 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 1gr7 s LEU 73 Cb -0.33 -0.37 -0.10 0.00 0.03 0.00 0.00 46.19 45.42 1gr7 s LEU 73 CO 0.84 -0.02 1.84 -0.75 0.23 0.00 0.00 176.35 178.49 1gr7 s LYS 74 N 0.57 4.14 0.29 1.70 2.20 -1.26 -4.86 119.74 122.52 1gr7 s LYS 74 Ca -0.07 2.58 -0.30 0.00 -0.36 0.00 0.00 55.97 57.82 1gr7 s LYS 74 Cb -0.10 -3.69 -0.12 0.00 -1.51 0.00 0.00 37.83 32.40 1gr7 s LYS 74 CO -0.00 -0.86 1.54 -2.30 -0.36 0.00 0.00 175.35 173.37 1gr7 n PRO 75 N 5.99 2.55 -2.73 4.03 -0.02 -1.26 -2.26 135.00 141.30 1gr7 n PRO 75 Ca 0.18 0.90 -0.19 0.00 -2.02 0.00 0.00 63.50 62.38 1gr7 n PRO 75 Cb 0.39 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.99 -5.36 -4.65 2.55 8.00 -1.26 -4.91 116.55 112.91 1gr7 n ASP 76 Ca 0.08 -0.18 -0.43 0.00 0.71 0.00 0.00 54.79 54.98 1gr7 n ASP 76 Cb 0.36 -4.27 -0.02 0.00 -0.02 0.00 0.00 41.12 37.16 1gr7 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1gr7 s ASP 77 N -2.59 6.64 0.13 -2.24 3.68 -0.96 -4.85 116.67 116.47 1gr7 s ASP 77 Ca 0.18 1.88 0.23 0.00 2.13 0.00 0.00 52.55 56.97 1gr7 s ASP 77 Cb -0.08 -2.53 0.91 0.00 -1.45 0.00 0.00 42.92 39.77 1gr7 s ASP 77 CO 0.22 -1.00 1.72 -1.54 0.13 0.00 0.00 175.17 174.70 1gr7 n SER 78 N 7.45 0.39 0.10 -0.34 3.41 -1.26 -2.15 113.62 121.23 1gr7 n SER 78 Ca 0.17 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1gr7 n SER 78 Cb 0.44 -0.66 0.39 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.90 0.27 -2.95 4.33 1.74 -1.26 -4.76 116.66 112.12 1gr7 n ARG 79 Ca 0.04 0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.92 1gr7 n ARG 79 Cb 0.29 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 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 -3.10 4.82 0.05 1.55 1.01 -0.91 -4.51 120.40 119.30 1gr7 s VAL 80 Ca 0.10 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 1gr7 s VAL 80 Cb 0.12 -4.12 -0.29 0.00 0.00 0.00 0.00 36.38 32.09 1gr7 s VAL 80 CO 0.60 -0.19 1.10 0.40 0.00 0.00 0.00 175.10 177.01 1gr7 h ILE 81 N 5.55 1.29 -2.33 2.22 2.04 -1.28 -3.48 117.51 121.52 1gr7 h ILE 81 Ca -0.24 -2.44 -0.00 0.00 1.00 0.00 0.00 64.86 63.17 1gr7 h ILE 81 Cb 1.10 2.70 -0.17 0.00 -0.74 0.00 0.00 36.82 39.71 1gr7 h ILE 81 CO 0.87 0.74 0.29 0.00 0.00 0.00 0.00 178.15 180.05 1gr7 s ALA 82 N -2.98 -1.74 0.07 1.87 0.00 -1.24 -5.02 121.76 112.72 1gr7 s ALA 82 Ca -0.10 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 1gr7 s ALA 82 Cb 0.05 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.52 1gr7 s ALA 82 CO 0.93 -0.55 0.62 -3.38 0.00 0.00 0.00 175.76 173.38 1gr7 s HIS 83 N -2.36 -0.58 0.58 0.00 -3.43 -1.26 -1.36 115.29 106.88 1gr7 s HIS 83 Ca -0.03 0.65 0.02 0.00 -0.80 0.00 0.00 55.06 54.90 1gr7 s HIS 83 Cb -0.01 0.49 0.11 0.00 -1.43 0.00 0.00 32.58 31.74 1gr7 s HIS 83 CO -0.02 -0.74 0.79 0.25 -2.00 0.00 0.00 174.74 173.02 1gr7 n THR 84 N 0.17 0.00 -2.07 -5.38 -2.24 -0.54 -4.85 114.28 99.38 1gr7 n THR 84 Ca -0.18 -1.41 -0.27 0.00 -2.27 0.00 0.00 64.05 59.92 1gr7 n THR 84 Cb 0.62 -0.86 0.08 0.00 -2.10 0.00 0.00 70.33 68.07 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 -4.55 2.02 -0.11 -0.78 -2.85 -1.26 -4.63 119.74 107.59 1gr7 s LYS 85 Ca 0.55 -0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 55.09 1gr7 s LYS 85 Cb -0.03 -2.07 -0.02 0.00 -2.06 0.00 0.00 37.83 33.65 1gr7 s LYS 85 CO 0.36 -1.44 1.11 -1.17 0.10 0.00 0.00 175.35 174.30 1gr7 s LEU 86 N -5.41 4.24 0.22 2.77 2.96 -1.26 -4.37 118.68 117.82 1gr7 s LEU 86 Ca 0.62 1.64 0.10 0.00 -0.22 0.00 0.00 54.13 56.27 1gr7 s LEU 86 Cb -0.10 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1gr7 s LEU 86 CO 0.47 -0.55 -0.20 0.27 -1.32 0.00 0.00 176.35 175.01 1gr7 s ILE 87 N 2.36 2.19 0.17 6.68 -4.36 0.12 -4.91 121.20 123.46 1gr7 s ILE 87 Ca 0.51 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 1gr7 s ILE 87 Cb -0.21 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1gr7 s ILE 87 CO 0.18 -0.31 0.03 0.61 0.24 0.00 0.00 174.94 175.68 1gr7 n GLY 88 N -0.08 3.77 3.70 6.27 0.00 -1.26 -1.63 105.19 115.96 1gr7 n GLY 88 Ca -0.10 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.28 2.69 0.00 1.61 3.41 0.51 -1.85 113.62 118.71 1gr7 n SER 89 Ca -0.06 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1gr7 n SER 89 Cb 0.21 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 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 0.78 2.08 3.98 5.00 0.00 -0.19 -4.94 105.19 111.90 1gr7 n GLY 90 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.21 2.86 0.01 1.61 2.02 -0.77 -4.93 118.70 119.28 1gr7 s GLU 91 Ca 0.00 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 54.08 1gr7 s GLU 91 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1gr7 s GLU 91 CO 0.00 -0.36 0.19 0.15 0.02 0.00 0.00 175.26 175.26 1gr7 s LYS 92 N -4.52 0.57 0.07 1.61 1.02 -1.26 -2.78 119.74 114.46 1gr7 s LYS 92 Ca 0.52 -0.41 -0.14 0.00 0.02 0.00 0.00 55.97 55.96 1gr7 s LYS 92 Cb -0.10 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1gr7 s LYS 92 CO 0.36 -0.15 0.33 0.34 -0.92 0.00 0.00 175.35 175.31 1gr7 s ASP 93 N -1.53 -0.14 0.02 2.83 2.15 -0.44 -5.01 116.67 114.54 1gr7 s ASP 93 Ca -0.12 -0.26 0.01 0.00 0.43 0.00 0.00 52.55 52.61 1gr7 s ASP 93 Cb -0.06 0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1gr7 s ASP 93 CO 0.01 -0.70 -0.05 -0.55 -0.17 0.00 0.00 175.17 173.71 1gr7 s SER 94 N -2.37 0.55 -0.01 -0.34 0.15 -1.26 -0.71 113.70 109.70 1gr7 s SER 94 Ca -0.01 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.30 1gr7 s SER 94 Cb 0.01 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1gr7 s SER 94 CO -0.07 -0.12 -0.02 0.54 1.20 0.00 0.00 173.24 174.77 1gr7 s VAL 95 N -0.87 0.21 -0.07 4.45 0.11 -0.52 -4.93 120.40 118.79 1gr7 s VAL 95 Ca -0.07 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 58.94 1gr7 s VAL 95 Cb -0.06 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1gr7 s VAL 95 CO -0.00 0.07 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.73 1gr7 s THR 96 N 0.06 1.84 0.10 5.04 2.01 -1.26 -0.83 115.64 122.59 1gr7 s THR 96 Ca -0.00 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1gr7 s THR 96 Cb -0.02 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1gr7 s THR 96 CO -0.00 0.52 -0.04 0.72 -0.69 0.00 0.00 174.62 175.12 1gr7 s PHE 97 N 0.08 0.82 0.03 4.92 -0.12 -0.20 -4.96 117.98 118.55 1gr7 s PHE 97 Ca -0.09 -1.00 -0.30 0.00 -0.05 0.00 0.00 56.93 55.49 1gr7 s PHE 97 Cb -0.15 -0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 1gr7 s PHE 97 CO 0.05 -0.25 1.26 -0.51 -0.05 0.00 0.00 175.22 175.71 1gr7 s ASP 98 N -3.02 7.00 0.33 1.98 1.01 -1.26 -1.32 116.67 121.38 1gr7 s ASP 98 Ca 0.13 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.43 1gr7 s ASP 98 Cb 0.06 -2.57 0.56 0.00 1.01 0.00 0.00 42.92 41.98 1gr7 s ASP 98 CO -0.05 -0.56 1.94 0.58 0.21 0.00 0.00 175.17 177.29 1gr7 h VAL 99 N 4.65 1.19 0.00 -1.27 2.07 -1.51 -1.55 116.25 119.83 1gr7 h VAL 99 Ca -0.39 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1gr7 h VAL 99 Cb 1.20 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1gr7 h VAL 99 CO 0.85 0.21 0.01 -2.65 0.02 0.00 0.00 177.57 176.01 1gr7 n PRO 100 N -4.37 0.00 0.14 1.57 -0.02 -1.26 -0.85 135.00 130.20 1gr7 n PRO 100 Ca 0.05 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1gr7 n PRO 100 Cb 0.12 -1.51 0.47 0.00 -0.02 0.00 0.00 33.50 32.56 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 -6.19 -0.52 1.57 -1.67 -3.44 116.57 106.32 1gr7 h LYS 101 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1gr7 h LYS 101 Cb 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1gr7 h LYS 101 CO 0.00 0.00 -0.54 -0.51 -0.57 0.00 0.00 179.45 177.83 1gr7 s LEU 102 N -4.67 3.64 0.06 2.94 1.43 -0.03 -5.13 118.68 116.92 1gr7 s LEU 102 Ca 0.06 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1gr7 s LEU 102 Cb 0.10 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1gr7 s LEU 102 CO 0.48 -0.08 -0.05 -1.59 0.23 0.00 0.00 176.35 175.34 1gr7 s LYS 103 N -3.83 0.62 0.48 1.70 -2.85 -1.26 -5.03 119.74 109.57 1gr7 s LYS 103 Ca 0.34 -1.07 -0.22 0.00 -1.00 0.00 0.00 55.97 54.02 1gr7 s LYS 103 Cb -0.07 -0.04 -0.07 0.00 -2.06 0.00 0.00 37.83 35.59 1gr7 s LYS 103 CO 0.24 -0.04 1.14 -1.21 0.10 0.00 0.00 175.35 175.59 1gr7 s GLU 104 N -3.02 3.66 0.00 1.78 2.02 -1.26 -3.28 118.70 118.59 1gr7 s GLU 104 Ca 0.01 1.69 0.00 0.00 0.02 0.00 0.00 54.97 56.70 1gr7 s GLU 104 Cb 0.01 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1gr7 s GLU 104 CO -0.05 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1gr7 n GLY 105 N 0.32 1.83 3.84 -1.39 0.00 -1.26 -5.01 105.19 103.53 1gr7 n GLY 105 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 3.35 -0.19 1.61 2.12 -1.21 -5.08 118.70 118.94 1gr7 s GLU 106 Ca 0.00 -0.20 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 1gr7 s GLU 106 Cb 0.00 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1gr7 s GLU 106 CO 0.00 0.75 0.39 -1.14 -0.54 0.00 0.00 175.26 174.73 1gr7 s GLN 107 N -1.09 4.19 0.16 4.30 2.00 -1.26 -4.86 119.66 123.10 1gr7 s GLN 107 Ca 0.16 0.21 0.08 0.00 -2.00 0.00 0.00 55.36 53.80 1gr7 s GLN 107 Cb -0.12 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.13 1gr7 s GLN 107 CO 0.05 0.00 -0.07 0.71 -0.50 0.00 0.00 175.29 175.48 1gr7 s TYR 108 N 1.18 2.71 0.02 1.67 2.02 -1.19 -1.42 117.35 122.34 1gr7 s TYR 108 Ca 0.19 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 1gr7 s TYR 108 Cb -0.15 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1gr7 s TYR 108 CO 0.08 0.49 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.76 1gr7 s MET 109 N -2.68 1.10 0.09 -0.62 -1.94 -0.37 -1.58 119.30 113.30 1gr7 s MET 109 Ca 0.24 -0.66 0.06 0.00 -1.71 0.00 0.00 55.69 53.63 1gr7 s MET 109 Cb -0.10 -1.09 -0.04 0.00 2.01 0.00 0.00 34.83 35.61 1gr7 s MET 109 CO 0.16 0.29 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.78 1gr7 s PHE 110 N -0.60 2.79 0.18 -0.03 -0.71 -0.37 -2.14 117.98 117.10 1gr7 s PHE 110 Ca 0.04 -0.13 -0.24 0.00 -1.04 0.00 0.00 56.93 55.57 1gr7 s PHE 110 Cb -0.07 -1.47 0.05 0.00 -1.21 0.00 0.00 43.02 40.33 1gr7 s PHE 110 CO 0.00 0.43 0.84 -0.59 -1.34 0.00 0.00 175.22 174.56 1gr7 s PHE 111 N -1.20 -0.21 -0.17 3.49 -0.71 0.12 -1.28 117.98 118.02 1gr7 s PHE 111 Ca 0.22 -0.12 -0.07 0.00 -1.04 0.00 0.00 56.93 55.91 1gr7 s PHE 111 Cb -0.11 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1gr7 s PHE 111 CO 0.14 -0.93 0.08 0.00 -1.34 0.00 0.00 175.22 173.16 1gr7 n THR 113 N 3.29 0.15 -1.69 0.00 -2.24 -1.26 -3.02 114.28 109.51 1gr7 n THR 113 Ca -0.17 -0.45 -0.44 0.00 -2.27 0.00 0.00 64.05 60.72 1gr7 n THR 113 Cb 0.52 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.85 2.44 -1.70 4.78 7.35 -1.26 -4.41 117.46 125.52 1gr7 n PHE 114 Ca 0.17 0.28 -0.62 0.00 -0.76 0.00 0.00 57.45 56.52 1gr7 n PHE 114 Cb 0.48 -2.55 -0.08 0.00 0.35 0.00 0.00 39.48 37.68 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 2.80 0.53 0.00 -7.13 -0.02 -1.26 -1.20 135.00 128.71 1gr7 n PRO 115 Ca 0.13 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1gr7 n PRO 115 Cb 0.32 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 3.76 2.95 0.20 -1.23 0.00 -1.26 -4.90 105.19 104.71 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 0.08 0.00 1.61 3.86 -1.42 -3.11 115.15 116.17 1gr7 h HIS 117 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 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 0.39 0.00 0.66 0.86 0.00 0.00 177.93 179.84 1gr7 h SER 118 N 0.06 0.00 -0.58 2.45 4.64 -1.72 0.30 113.55 118.70 1gr7 h SER 118 Ca 0.01 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1gr7 h SER 118 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.64 1gr7 h SER 118 CO 0.04 0.00 0.31 0.00 -0.87 0.00 0.00 176.83 176.32 1gr7 h ALA 119 N 2.01 0.76 0.00 5.18 0.00 -1.88 -3.32 119.26 122.01 1gr7 h ALA 119 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1gr7 h ALA 119 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gr7 h ALA 119 CO 0.00 -0.01 -1.51 1.28 0.00 0.00 0.00 179.25 179.00 1gr7 n LEU 120 N -4.83 0.00 -4.16 0.00 4.77 -0.72 -4.80 117.00 107.27 1gr7 n LEU 120 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 1gr7 n LEU 120 Cb 0.14 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1gr7 n LEU 120 CO 0.29 0.02 1.42 0.23 -1.33 0.00 0.00 177.39 178.03 1gr7 n MET 121 N -1.92 3.70 -3.66 3.23 2.81 0.97 -4.77 117.12 117.49 1gr7 n MET 121 Ca -0.03 -3.99 -0.14 0.00 -1.81 0.00 0.00 57.70 51.72 1gr7 n MET 121 Cb 0.33 -2.81 -0.07 0.00 -0.71 0.00 0.00 33.22 29.96 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 -0.18 0.87 0.30 0.03 -2.85 -1.26 -2.08 119.74 114.57 1gr7 s LYS 122 Ca 0.37 -0.15 -0.19 0.00 -1.00 0.00 0.00 55.97 55.00 1gr7 s LYS 122 Cb 0.01 0.39 0.05 0.00 -2.06 0.00 0.00 37.83 36.23 1gr7 s LYS 122 CO 0.01 -0.27 0.85 0.20 0.10 0.00 0.00 175.35 176.23 1gr7 s GLY 123 N -1.57 0.18 0.07 0.59 0.00 -0.40 -4.80 107.32 101.39 1gr7 s GLY 123 Ca -0.10 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1gr7 s GLY 123 CO 0.03 0.35 0.04 -0.51 0.00 0.00 0.00 173.10 173.01 1gr7 s THR 124 N -2.63 4.28 -0.05 0.90 -4.23 -0.57 -1.23 115.64 112.10 1gr7 s THR 124 Ca 0.16 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1gr7 s THR 124 Cb -0.04 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1gr7 s THR 124 CO 0.08 0.16 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.97 1gr7 s LEU 125 N -2.24 1.74 0.02 4.79 0.20 -0.61 -1.57 118.68 121.00 1gr7 s LEU 125 Ca 0.27 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.82 1gr7 s LEU 125 Cb -0.12 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.81 1gr7 s LEU 125 CO 0.19 0.07 -0.09 0.42 -0.29 0.00 0.00 176.35 176.65 1gr7 s THR 126 N 0.43 0.69 -0.21 3.68 -4.23 -0.78 -3.19 115.64 112.02 1gr7 s THR 126 Ca -0.10 -0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.52 1gr7 s THR 126 Cb -0.14 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 1gr7 s THR 126 CO 0.03 -0.04 0.56 -0.22 -0.54 0.00 0.00 174.62 174.41 1gr7 s LEU 127 N -0.81 4.12 0.00 4.79 2.96 -1.26 -0.44 118.68 128.04 1gr7 s LEU 127 Ca -0.01 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1gr7 s LEU 127 Cb -0.06 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1gr7 s LEU 127 CO 0.00 -0.24 0.43 0.29 -1.32 0.00 0.00 176.35 175.51