#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk7 s THR 2 N 0.00 3.17 0.43 0.00 -4.23 -0.21 -4.95 115.64 109.84 1pk7 s THR 2 Ca 0.00 -0.20 0.21 0.00 -1.18 0.00 0.00 61.69 60.52 1pk7 s THR 2 Cb 0.00 -3.27 0.42 0.00 1.34 0.00 0.00 72.50 70.99 1pk7 s THR 2 CO 0.00 -0.26 1.80 -0.65 -0.54 0.00 0.00 174.62 174.97 1pk7 h PRO 3 N -0.22 0.31 -0.00 3.99 0.11 -2.01 -2.61 132.00 131.57 1pk7 h PRO 3 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pk7 h PRO 3 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pk7 h PRO 3 CO 0.59 0.21 -0.25 0.72 -0.21 0.00 0.00 178.00 179.05 1pk7 n HIS 4 N -4.52 0.00 -3.87 0.65 8.25 -1.26 -4.91 115.22 109.55 1pk7 n HIS 4 Ca 0.24 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.40 1pk7 n HIS 4 Cb 0.89 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.85 1pk7 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pk7 s ILE 5 N -1.43 1.39 -1.00 1.59 1.01 -0.98 -4.70 121.20 117.08 1pk7 s ILE 5 Ca 0.06 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.07 1pk7 s ILE 5 Cb 0.07 -1.87 0.12 0.00 0.01 0.00 0.00 42.46 40.79 1pk7 s ILE 5 CO 0.26 -0.39 1.25 0.21 0.00 0.00 0.00 174.94 176.27 1pk7 s ASN 6 N 1.41 6.67 0.15 3.58 2.47 -1.26 -1.04 114.94 126.91 1pk7 s ASN 6 Ca 0.03 -2.07 -0.25 0.00 0.42 0.00 0.00 52.86 51.00 1pk7 s ASN 6 Cb -0.18 -2.44 0.06 0.00 -1.45 0.00 0.00 41.25 37.24 1pk7 s ASN 6 CO -0.13 -1.11 0.87 0.00 -3.72 0.00 0.00 177.10 173.01 1pk7 s ALA 7 N 3.05 -1.59 0.19 1.71 0.00 -1.26 -4.57 121.76 119.28 1pk7 s ALA 7 Ca 0.37 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1pk7 s ALA 7 Cb -0.03 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1pk7 s ALA 7 CO -0.08 -0.96 0.01 -1.21 0.00 0.00 0.00 175.76 173.52 1pk7 s GLU 8 N -3.42 2.41 -0.10 0.00 0.41 -1.26 -2.53 118.70 114.21 1pk7 s GLU 8 Ca 0.10 -1.15 -0.37 0.00 -0.41 0.00 0.00 54.97 53.14 1pk7 s GLU 8 Cb -0.02 -2.34 -0.15 0.00 -1.78 0.00 0.00 34.13 29.85 1pk7 s GLU 8 CO -0.00 0.44 1.68 -0.12 -0.49 0.00 0.00 175.26 176.77 1pk7 n MET 9 N -0.27 1.55 0.00 1.61 0.00 -1.26 -0.85 117.12 117.90 1pk7 n MET 9 Ca -0.09 0.56 0.00 0.00 -0.00 0.00 0.00 57.70 58.17 1pk7 n MET 9 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.48 1pk7 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pk7 n GLY 10 N 3.82 2.34 0.16 -5.12 0.00 -1.26 -4.95 105.19 100.19 1pk7 n GLY 10 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1pk7 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pk7 h ASP 11 N 0.00 0.00 -3.13 1.61 3.45 -1.36 -3.43 116.42 113.56 1pk7 h ASP 11 Ca 0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.82 1pk7 h ASP 11 Cb 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 1pk7 h ASP 11 CO 0.00 0.48 -0.58 -0.36 -1.57 0.00 0.00 179.24 177.21 1pk7 s PHE 12 N -3.94 3.25 0.95 4.55 0.40 -1.26 -4.78 117.98 117.15 1pk7 s PHE 12 Ca -0.02 0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 56.28 1pk7 s PHE 12 Cb 0.14 -1.65 0.17 0.00 0.51 0.00 0.00 43.02 42.18 1pk7 s PHE 12 CO 0.74 0.54 1.22 0.00 0.70 0.00 0.00 175.22 178.42 1pk7 s ALA 13 N -1.38 2.00 -0.89 5.36 0.00 -1.26 -4.91 121.76 120.67 1pk7 s ALA 13 Ca 0.29 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.55 1pk7 s ALA 13 Cb -0.12 -2.89 0.75 0.00 0.00 0.00 0.00 23.12 20.85 1pk7 s ALA 13 CO 0.22 -2.39 1.56 -0.40 0.00 0.00 0.00 175.76 174.75 1pk7 n ASP 14 N -3.80 0.15 -4.04 0.00 3.85 -1.26 -4.63 116.55 106.82 1pk7 n ASP 14 Ca 0.11 0.54 -0.24 0.00 -0.71 0.00 0.00 54.79 54.49 1pk7 n ASP 14 Cb 0.60 -0.57 -0.16 0.00 -1.35 0.00 0.00 41.12 39.64 1pk7 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pk7 s VAL 15 N -3.07 1.14 -0.07 2.12 1.01 -1.26 0.16 120.40 120.43 1pk7 s VAL 15 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1pk7 s VAL 15 Cb 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1pk7 s VAL 15 CO 0.32 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.99 1pk7 s VAL 16 N 0.46 0.94 0.07 2.92 1.01 -0.91 -2.02 120.40 122.87 1pk7 s VAL 16 Ca -0.11 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1pk7 s VAL 16 Cb -0.14 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1pk7 s VAL 16 CO 0.03 0.32 0.62 -0.76 0.00 0.00 0.00 175.10 175.31 1pk7 s LEU 17 N 0.97 4.50 -0.21 3.92 1.43 -0.02 -1.77 118.68 127.50 1pk7 s LEU 17 Ca -0.09 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1pk7 s LEU 17 Cb -0.15 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.15 1pk7 s LEU 17 CO 0.00 0.20 -0.02 -0.04 0.23 0.00 0.00 176.35 176.72 1pk7 s MET 18 N -0.80 1.27 0.45 1.70 -1.94 0.11 -2.03 119.30 118.05 1pk7 s MET 18 Ca 0.31 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.56 1pk7 s MET 18 Cb -0.20 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.28 1pk7 s MET 18 CO 0.20 -0.60 0.66 -1.25 -0.01 0.00 0.00 175.02 174.02 1pk7 s PRO 19 N 1.58 2.94 -0.03 2.03 0.04 -1.24 -1.68 135.00 138.63 1pk7 s PRO 19 Ca -0.04 -0.67 -0.08 0.00 0.04 0.00 0.00 61.00 60.26 1pk7 s PRO 19 Cb -0.18 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1pk7 s PRO 19 CO -0.07 -0.32 0.44 0.78 0.04 0.00 0.00 177.00 177.87 1pk7 h GLY 20 N 0.41 -0.29 -5.04 0.56 0.00 -1.87 -1.35 103.07 95.50 1pk7 h GLY 20 Ca -0.45 0.11 -0.53 0.00 0.00 0.00 0.00 47.33 46.46 1pk7 h GLY 20 CO 0.55 -0.11 1.07 -0.35 0.00 0.00 0.00 176.54 177.70 1pk7 s ASP 21 N -4.18 6.53 0.57 0.19 -1.08 -1.26 -2.80 116.67 114.63 1pk7 s ASP 21 Ca -0.04 2.58 0.35 0.00 -0.52 0.00 0.00 52.55 54.91 1pk7 s ASP 21 Cb 0.00 -2.56 1.60 0.00 -1.46 0.00 0.00 42.92 40.51 1pk7 s ASP 21 CO 0.12 -0.95 2.08 1.55 0.52 0.00 0.00 175.17 178.49 1pk7 h PRO 22 N 8.80 0.00 -0.02 4.34 0.13 -1.92 -1.81 132.00 141.51 1pk7 h PRO 22 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1pk7 h PRO 22 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1pk7 h PRO 22 CO 0.94 0.03 -0.29 -0.07 -0.23 0.00 0.00 178.00 178.38 1pk7 h LEU 23 N 0.00 0.04 -1.45 1.56 3.38 -1.91 -2.60 115.31 114.33 1pk7 h LEU 23 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1pk7 h LEU 23 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pk7 h LEU 23 CO 0.00 0.34 -0.26 0.03 0.09 0.00 0.00 178.44 178.64 1pk7 h ARG 24 N 0.04 0.00 -0.14 1.13 2.47 -1.71 -2.79 114.38 113.38 1pk7 h ARG 24 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1pk7 h ARG 24 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1pk7 h ARG 24 CO 0.04 0.26 -0.12 0.00 0.56 0.00 0.00 179.97 180.71 1pk7 h ALA 25 N 1.74 1.53 0.01 0.04 0.00 -1.56 -2.24 119.26 118.79 1pk7 h ALA 25 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pk7 h ALA 25 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pk7 h ALA 25 CO 0.03 0.34 -0.01 -0.22 0.00 0.00 0.00 179.25 179.39 1pk7 h LYS 26 N 0.22 -0.02 -0.67 0.00 3.64 -1.61 -2.66 116.57 115.46 1pk7 h LYS 26 Ca 0.04 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.56 1pk7 h LYS 26 Cb 0.35 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1pk7 h LYS 26 CO 0.02 0.70 0.18 -0.92 -2.27 0.00 0.00 179.45 177.15 1pk7 h TYR 27 N -0.77 0.28 -0.44 1.91 5.03 -1.44 -0.61 116.97 120.94 1pk7 h TYR 27 Ca -0.00 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 1pk7 h TYR 27 Cb 0.72 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 1pk7 h TYR 27 CO 0.18 -0.03 0.09 0.82 -1.32 0.00 0.00 178.16 177.90 1pk7 h ILE 28 N 0.30 1.24 -0.65 1.81 2.04 -1.48 0.59 117.51 121.36 1pk7 h ILE 28 Ca 0.36 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1pk7 h ILE 28 Cb 0.57 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1pk7 h ILE 28 CO -0.44 0.30 0.28 0.00 0.00 0.00 0.00 178.15 178.29 1pk7 h ALA 29 N 0.95 1.28 0.15 1.87 0.00 -1.03 0.17 119.26 122.65 1pk7 h ALA 29 Ca 0.13 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1pk7 h ALA 29 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pk7 h ALA 29 CO 0.00 0.54 -1.66 1.05 0.00 0.00 0.00 179.25 179.19 1pk7 h GLU 30 N 0.92 0.32 0.00 0.00 4.11 -0.92 -2.82 114.58 116.20 1pk7 h GLU 30 Ca 0.22 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1pk7 h GLU 30 Cb 0.14 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1pk7 h GLU 30 CO -0.02 1.21 -0.01 1.15 0.07 0.00 0.00 179.01 181.40 1pk7 h THR 31 N 0.09 0.00 0.00 -1.06 2.02 0.25 -3.41 112.91 110.80 1pk7 h THR 31 Ca -0.30 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1pk7 h THR 31 Cb 2.06 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 1pk7 h THR 31 CO 0.17 0.00 -0.46 0.49 0.37 0.00 0.00 175.52 176.09 1pk7 n PHE 32 N -2.95 0.00 -3.45 3.16 3.01 0.57 -5.04 117.46 112.76 1pk7 n PHE 32 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.15 1pk7 n PHE 32 Cb 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.93 1pk7 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pk7 s LEU 33 N -2.34 4.34 0.09 4.37 1.43 -1.06 -4.81 118.68 120.71 1pk7 s LEU 33 Ca 0.00 0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 53.98 1pk7 s LEU 33 Cb 0.00 -3.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 1pk7 s LEU 33 CO 0.00 0.13 0.37 -1.61 0.23 0.00 0.00 176.35 175.47 1pk7 s GLU 34 N -1.94 3.68 -1.54 1.70 0.41 0.63 -4.43 118.70 117.21 1pk7 s GLU 34 Ca 0.36 0.04 -0.08 0.00 -0.41 0.00 0.00 54.97 54.87 1pk7 s GLU 34 Cb -0.15 -2.96 0.07 0.00 -1.78 0.00 0.00 34.13 29.32 1pk7 s GLU 34 CO 0.19 0.54 0.58 -0.25 -0.49 0.00 0.00 175.26 175.83 1pk7 n ASP 35 N 0.66 -1.73 -4.76 -0.19 10.43 -1.26 -1.10 116.55 118.60 1pk7 n ASP 35 Ca -0.07 -1.01 -0.35 0.00 2.57 0.00 0.00 54.79 55.94 1pk7 n ASP 35 Cb 0.52 -2.92 0.02 0.00 1.84 0.00 0.00 41.12 40.59 1pk7 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pk7 s ALA 36 N -3.67 2.59 -0.19 2.24 0.00 -1.26 -4.57 121.76 116.90 1pk7 s ALA 36 Ca 0.34 0.85 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 1pk7 s ALA 36 Cb -0.18 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.62 1pk7 s ALA 36 CO 0.91 -1.02 0.41 -0.98 0.00 0.00 0.00 175.76 175.08 1pk7 s ARG 37 N -3.44 0.34 0.34 0.00 1.70 -0.81 -4.96 118.95 112.12 1pk7 s ARG 37 Ca 0.74 0.95 -0.28 0.00 -0.47 0.00 0.00 55.73 56.66 1pk7 s ARG 37 Cb -0.26 0.21 -0.12 0.00 -0.57 0.00 0.00 34.95 34.21 1pk7 s ARG 37 CO 0.32 -0.22 1.39 -1.91 -1.08 0.00 0.00 175.30 173.80 1pk7 n GLU 38 N 5.02 2.35 0.00 3.89 2.13 -1.26 -2.08 120.64 130.69 1pk7 n GLU 38 Ca -0.13 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1pk7 n GLU 38 Cb 0.51 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1pk7 n GLU 38 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1pk7 n VAL 39 N 0.67 0.00 -3.57 6.31 0.24 0.23 -4.91 118.33 117.30 1pk7 n VAL 39 Ca 0.05 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 1pk7 n VAL 39 Cb 0.37 1.46 -0.06 0.00 -1.47 0.00 0.00 33.84 34.13 1pk7 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pk7 s ASN 40 N -0.03 -0.64 0.00 -1.34 3.04 -1.18 -4.46 114.94 110.34 1pk7 s ASN 40 Ca 0.00 0.94 0.00 0.00 0.04 0.00 0.00 52.86 53.84 1pk7 s ASN 40 Cb 0.00 0.85 0.00 0.00 -1.54 0.00 0.00 41.25 40.56 1pk7 s ASN 40 CO 0.00 -0.42 0.00 -0.46 -3.04 0.00 0.00 177.10 173.18 1pk7 n ASN 41 N 1.59 0.00 -4.55 -4.21 0.23 -1.26 -2.70 115.26 104.36 1pk7 n ASN 41 Ca -0.16 -0.13 -0.51 0.00 -0.53 0.00 0.00 54.58 53.25 1pk7 n ASN 41 Cb 0.56 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.21 1pk7 n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1pk7 n VAL 42 N 0.00 0.66 -0.94 3.53 0.31 -1.26 -0.17 118.33 120.46 1pk7 n VAL 42 Ca 0.00 -0.17 -0.05 0.00 -0.01 0.00 0.00 64.34 64.11 1pk7 n VAL 42 Cb 0.03 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 1pk7 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pk7 n ARG 43 N 1.80 -1.73 -0.76 5.55 1.74 -1.26 -0.78 116.66 121.21 1pk7 n ARG 43 Ca 0.17 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1pk7 n ARG 43 Cb 0.21 -4.48 0.00 0.00 -1.02 0.00 0.00 32.46 27.16 1pk7 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pk7 n GLY 44 N 0.31 0.84 3.57 -0.13 0.00 0.75 -4.96 105.19 105.56 1pk7 n GLY 44 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1pk7 n GLY 44 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pk7 s MET 45 N -0.24 3.29 0.13 1.61 -1.94 0.04 -4.93 119.30 117.27 1pk7 s MET 45 Ca 0.00 -1.11 -0.31 0.00 -1.71 0.00 0.00 55.69 52.56 1pk7 s MET 45 Cb 0.00 -5.31 -0.08 0.00 2.01 0.00 0.00 34.83 31.44 1pk7 s MET 45 CO 0.00 -2.72 1.43 -0.51 -0.01 0.00 0.00 175.02 173.22 1pk7 s LEU 46 N 6.79 4.37 -0.02 -0.03 1.43 -1.26 -4.15 118.68 125.81 1pk7 s LEU 46 Ca 0.56 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 56.08 1pk7 s LEU 46 Cb -0.01 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1pk7 s LEU 46 CO -0.01 -0.69 -0.04 -0.83 0.23 0.00 0.00 176.35 175.00 1pk7 s GLY 47 N 1.10 0.32 0.26 -3.19 0.00 -1.10 -3.37 107.32 101.34 1pk7 s GLY 47 Ca 0.66 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 45.33 1pk7 s GLY 47 CO 0.31 0.12 -0.07 -1.36 0.00 0.00 0.00 173.10 172.09 1pk7 s PHE 48 N 0.37 1.86 -0.03 1.90 0.08 0.13 0.75 117.98 123.03 1pk7 s PHE 48 Ca -0.04 -0.69 -0.01 0.00 0.12 0.00 0.00 56.93 56.31 1pk7 s PHE 48 Cb -0.08 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1pk7 s PHE 48 CO -0.00 0.27 0.04 0.99 -0.10 0.00 0.00 175.22 176.42 1pk7 s THR 49 N -3.04 -0.08 0.00 0.64 2.01 -0.89 -0.81 115.64 113.47 1pk7 s THR 49 Ca 0.28 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1pk7 s THR 49 Cb 0.03 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.43 1pk7 s THR 49 CO 0.10 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1pk7 n GLY 50 N 4.60 4.48 2.96 4.40 0.00 0.07 -1.93 105.19 119.77 1pk7 n GLY 50 Ca -0.19 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1pk7 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk7 s THR 51 N 0.10 0.13 -0.30 2.61 -4.23 -0.26 -1.10 115.64 112.59 1pk7 s THR 51 Ca 0.00 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1pk7 s THR 51 Cb 0.00 -0.24 0.09 0.00 1.34 0.00 0.00 72.50 73.69 1pk7 s THR 51 CO 0.00 -0.38 0.06 -0.47 -0.54 0.00 0.00 174.62 173.29 1pk7 s TYR 52 N -1.15 2.35 -1.23 3.99 6.14 0.87 -0.27 117.35 128.05 1pk7 s TYR 52 Ca -0.12 -2.06 -0.01 0.00 0.64 0.00 0.00 57.07 55.52 1pk7 s TYR 52 Cb -0.08 -2.01 0.00 0.00 0.42 0.00 0.00 41.96 40.30 1pk7 s TYR 52 CO -0.01 -0.87 0.99 1.63 0.64 0.00 0.00 175.55 177.93 1pk7 n LYS 53 N 4.67 -6.59 0.00 4.97 5.02 -1.26 -2.23 118.16 122.73 1pk7 n LYS 53 Ca -0.02 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1pk7 n LYS 53 Cb 0.42 -5.80 0.00 0.00 -0.02 0.00 0.00 35.03 29.63 1pk7 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk7 n GLY 54 N -1.26 2.94 3.63 0.72 0.00 -1.26 -5.00 105.19 104.96 1pk7 n GLY 54 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1pk7 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pk7 s ARG 55 N -0.19 4.14 0.12 1.61 3.00 -0.95 -5.03 118.95 121.65 1pk7 s ARG 55 Ca 0.00 0.65 -0.31 0.00 -1.00 0.00 0.00 55.73 55.07 1pk7 s ARG 55 Cb 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 34.95 31.23 1pk7 s ARG 55 CO 0.00 -0.41 1.46 0.21 0.00 0.00 0.00 175.30 176.56 1pk7 s LYS 56 N 2.50 4.28 0.01 5.12 2.20 -1.26 -0.09 119.74 132.49 1pk7 s LYS 56 Ca 0.29 2.17 0.01 0.00 -0.36 0.00 0.00 55.97 58.07 1pk7 s LYS 56 Cb -0.15 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1pk7 s LYS 56 CO 0.08 -0.52 -0.03 0.42 -0.36 0.00 0.00 175.35 174.94 1pk7 s ILE 57 N 1.36 0.22 0.19 5.43 -1.09 -0.26 -4.70 121.20 122.35 1pk7 s ILE 57 Ca 0.67 -0.46 0.10 0.00 -2.23 0.00 0.00 60.65 58.73 1pk7 s ILE 57 Cb -0.39 -0.26 -0.04 0.00 -1.58 0.00 0.00 42.46 40.20 1pk7 s ILE 57 CO 0.30 -0.16 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.23 1pk7 s SER 58 N -0.66 3.73 -0.03 3.58 0.01 -0.85 -0.75 113.70 118.72 1pk7 s SER 58 Ca -0.05 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 56.43 1pk7 s SER 58 Cb -0.05 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.78 1pk7 s SER 58 CO -0.00 0.12 0.07 0.54 0.41 0.00 0.00 173.24 174.38 1pk7 s VAL 59 N -1.68 -0.03 -0.27 3.43 0.11 0.01 -0.84 120.40 121.12 1pk7 s VAL 59 Ca 0.22 0.11 -0.23 0.00 -2.93 0.00 0.00 61.98 59.16 1pk7 s VAL 59 Cb -0.08 -0.13 0.08 0.00 -1.53 0.00 0.00 36.38 34.72 1pk7 s VAL 59 CO 0.12 0.05 0.75 -0.32 -3.33 0.00 0.00 175.10 172.36 1pk7 s MET 60 N 0.65 0.77 0.73 1.54 0.00 -0.86 0.18 119.30 122.31 1pk7 s MET 60 Ca -0.05 1.01 -0.12 0.00 0.00 0.00 0.00 55.69 56.53 1pk7 s MET 60 Cb -0.07 0.33 0.03 0.00 0.00 0.00 0.00 34.83 35.12 1pk7 s MET 60 CO -0.02 -0.11 1.09 0.20 0.00 0.00 0.00 175.02 176.18 1pk7 s GLY 61 N 0.66 1.81 0.00 2.11 0.00 -1.22 -3.74 107.32 106.95 1pk7 s GLY 61 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1pk7 s GLY 61 CO -0.05 0.66 0.31 -2.39 0.00 0.00 0.00 173.10 171.63 1pk7 n HIS 62 N -3.13 0.00 0.00 1.90 1.44 -0.51 -4.89 115.22 110.03 1pk7 n HIS 62 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1pk7 n HIS 62 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1pk7 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pk7 n GLY 63 N 0.28 -1.14 3.87 -1.39 0.00 -1.12 -3.36 105.19 102.34 1pk7 n GLY 63 Ca 0.00 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1pk7 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pk7 s MET 64 N -1.38 3.61 0.00 1.61 1.00 -1.26 -4.67 119.30 118.22 1pk7 s MET 64 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 55.69 55.70 1pk7 s MET 64 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 34.83 31.70 1pk7 s MET 64 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 175.02 176.12 1pk7 n GLY 65 N 1.47 0.75 0.30 -0.03 0.00 -1.21 -4.43 105.19 102.03 1pk7 n GLY 65 Ca -0.14 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 1pk7 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pk7 h ILE 66 N 0.00 1.25 -0.26 -0.61 2.04 -1.83 -2.42 117.51 115.68 1pk7 h ILE 66 Ca 0.00 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1pk7 h ILE 66 Cb 0.00 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1pk7 h ILE 66 CO 0.00 0.33 0.09 -0.65 0.00 0.00 0.00 178.15 177.92 1pk7 h PRO 67 N 0.95 0.36 0.13 2.37 0.11 -1.91 -1.67 132.00 132.34 1pk7 h PRO 67 Ca 0.21 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1pk7 h PRO 67 Cb 0.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1pk7 h PRO 67 CO -0.01 0.32 -0.06 1.03 -0.21 0.00 0.00 178.00 179.06 1pk7 h SER 68 N 0.37 -0.15 -0.31 -2.05 0.87 -1.72 -3.26 113.55 107.30 1pk7 h SER 68 Ca 0.09 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1pk7 h SER 68 Cb 0.10 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1pk7 h SER 68 CO -0.01 0.16 0.34 0.00 -0.53 0.00 0.00 176.83 176.79 1pk7 h SER 70 N 0.00 0.79 -0.11 0.00 0.02 -1.39 -1.43 113.55 111.43 1pk7 h SER 70 Ca 0.15 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.68 1pk7 h SER 70 Cb 0.82 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.15 1pk7 h SER 70 CO -0.00 0.98 -0.46 0.16 -1.14 0.00 0.00 176.83 176.36 1pk7 h ILE 71 N 0.69 1.37 0.72 3.27 3.07 -1.25 -2.76 117.51 122.61 1pk7 h ILE 71 Ca 0.10 -1.78 -0.04 0.00 1.55 0.00 0.00 64.86 64.70 1pk7 h ILE 71 Cb 0.71 2.16 0.01 0.00 -0.27 0.00 0.00 36.82 39.42 1pk7 h ILE 71 CO 0.05 0.53 -0.35 1.88 -1.05 0.00 0.00 178.15 179.22 1pk7 h TYR 72 N 0.11 -0.90 -0.07 0.16 0.05 -1.49 -1.62 116.97 113.21 1pk7 h TYR 72 Ca -0.03 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.75 1pk7 h TYR 72 Cb 1.10 0.30 -0.00 0.00 1.01 0.00 0.00 36.73 39.13 1pk7 h TYR 72 CO 0.11 -0.55 0.08 1.79 -1.05 0.00 0.00 178.16 178.54 1pk7 h THR 73 N -1.01 0.54 0.08 -2.88 1.35 -1.38 -1.90 112.91 107.71 1pk7 h THR 73 Ca -0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1pk7 h THR 73 Cb 0.76 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1pk7 h THR 73 CO 0.16 0.00 -0.04 0.50 -0.25 0.00 0.00 175.52 175.89 1pk7 h LYS 74 N 0.00 -0.10 -0.94 4.72 3.11 -1.17 -2.56 116.57 119.63 1pk7 h LYS 74 Ca 0.03 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.95 1pk7 h LYS 74 Cb 0.19 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.38 1pk7 h LYS 74 CO -0.00 0.45 0.59 0.93 -2.81 0.00 0.00 179.45 178.61 1pk7 h GLU 75 N -0.82 1.03 -0.02 1.90 5.08 -0.92 0.56 114.58 121.40 1pk7 h GLU 75 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1pk7 h GLU 75 Cb 0.60 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1pk7 h GLU 75 CO 0.02 0.68 0.01 -0.07 -1.00 0.00 0.00 179.01 178.65 1pk7 h LEU 76 N 1.06 0.03 -0.28 1.33 3.38 -1.44 0.68 115.31 120.07 1pk7 h LEU 76 Ca 0.41 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1pk7 h LEU 76 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pk7 h LEU 76 CO -0.18 0.11 0.08 0.40 0.09 0.00 0.00 178.44 178.93 1pk7 h ILE 77 N -0.05 1.21 0.00 1.22 2.04 -0.97 -0.71 117.51 120.25 1pk7 h ILE 77 Ca 0.01 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 1pk7 h ILE 77 Cb 0.09 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1pk7 h ILE 77 CO -0.00 0.22 -0.80 0.71 0.00 0.00 0.00 178.15 178.29 1pk7 h THR 78 N 0.29 0.48 -0.00 -0.27 1.35 -0.88 -3.34 112.91 110.55 1pk7 h THR 78 Ca 0.09 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1pk7 h THR 78 Cb 0.27 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1pk7 h THR 78 CO -0.00 0.28 -0.03 0.47 -0.25 0.00 0.00 175.52 175.99 1pk7 n ASP 79 N -3.01 0.97 -0.19 5.36 9.92 0.24 -4.69 116.55 125.14 1pk7 n ASP 79 Ca -0.02 -0.98 0.01 0.00 -0.53 0.00 0.00 54.79 53.27 1pk7 n ASP 79 Cb 0.71 0.24 0.02 0.00 -0.64 0.00 0.00 41.12 41.45 1pk7 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pk7 n PHE 80 N -0.13 0.00 -2.91 1.24 3.01 -0.30 -4.55 117.46 113.82 1pk7 n PHE 80 Ca 0.01 -0.20 -0.21 0.00 1.01 0.00 0.00 57.45 58.07 1pk7 n PHE 80 Cb 0.06 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.50 1pk7 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk7 n GLY 81 N -0.26 -0.51 3.69 1.37 0.00 -1.09 -4.62 105.19 103.77 1pk7 n GLY 81 Ca 0.02 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pk7 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk7 s VAL 82 N -2.99 3.98 -0.09 1.61 1.01 -1.05 -4.68 120.40 118.18 1pk7 s VAL 82 Ca 0.23 1.36 0.11 0.00 0.00 0.00 0.00 61.98 63.68 1pk7 s VAL 82 Cb -0.11 -3.87 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 1pk7 s VAL 82 CO 0.28 0.02 0.47 0.29 0.00 0.00 0.00 175.10 176.17 1pk7 n LYS 83 N 4.95 0.66 -3.99 2.72 4.76 0.12 -4.53 118.16 122.85 1pk7 n LYS 83 Ca 0.11 0.22 -0.11 0.00 -2.87 0.00 0.00 58.31 55.66 1pk7 n LYS 83 Cb 0.45 -1.72 -0.12 0.00 -1.84 0.00 0.00 35.03 31.80 1pk7 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pk7 s LYS 84 N -2.57 0.27 -0.15 1.97 1.02 -0.71 -2.29 119.74 117.28 1pk7 s LYS 84 Ca -0.09 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1pk7 s LYS 84 Cb 0.07 -0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1pk7 s LYS 84 CO 0.81 0.00 -0.03 0.42 -0.92 0.00 0.00 175.35 175.64 1pk7 s ILE 85 N -0.85 0.87 -0.27 2.17 1.01 -0.52 -2.13 121.20 121.48 1pk7 s ILE 85 Ca -0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1pk7 s ILE 85 Cb -0.06 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1pk7 s ILE 85 CO -0.00 0.10 0.04 -0.63 0.00 0.00 0.00 174.94 174.44 1pk7 s ILE 86 N 1.74 3.72 -0.10 2.92 1.01 -0.73 -0.65 121.20 129.11 1pk7 s ILE 86 Ca 0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 1pk7 s ILE 86 Cb -0.15 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1pk7 s ILE 86 CO -0.07 0.18 0.42 -0.60 0.00 0.00 0.00 174.94 174.87 1pk7 s ARG 87 N 1.48 4.22 -0.04 2.79 3.52 0.72 0.04 118.95 131.69 1pk7 s ARG 87 Ca 0.03 0.36 0.05 0.00 -0.13 0.00 0.00 55.73 56.04 1pk7 s ARG 87 Cb -0.16 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1pk7 s ARG 87 CO 0.00 0.30 -0.19 0.14 -0.81 0.00 0.00 175.30 174.75 1pk7 s VAL 88 N 0.19 1.55 0.00 7.11 -7.23 -0.68 -0.87 120.40 120.46 1pk7 s VAL 88 Ca 0.23 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1pk7 s VAL 88 Cb -0.15 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1pk7 s VAL 88 CO 0.10 0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 1pk7 n GLY 89 N 3.01 1.04 3.62 2.32 0.00 -0.97 -4.09 105.19 110.13 1pk7 n GLY 89 Ca -0.17 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1pk7 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pk7 s SER 90 N 2.00 3.96 0.24 1.61 1.04 -1.26 -1.37 113.70 119.91 1pk7 s SER 90 Ca 0.00 -1.23 -0.19 0.00 0.48 0.00 0.00 55.95 55.01 1pk7 s SER 90 Cb 0.00 -0.42 0.02 0.00 0.10 0.00 0.00 66.02 65.73 1pk7 s SER 90 CO 0.00 -0.37 0.61 0.00 0.98 0.00 0.00 173.24 174.46 1pk7 s GLY 92 N -2.91 1.94 0.32 0.00 0.00 -0.63 -1.10 107.32 104.93 1pk7 s GLY 92 Ca 0.12 -0.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 1pk7 s GLY 92 CO 0.03 -0.34 0.74 0.00 0.00 0.00 0.00 173.10 173.53 1pk7 s ALA 93 N -0.55 3.32 0.00 3.20 0.00 -0.20 -0.35 121.76 127.18 1pk7 s ALA 93 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1pk7 s ALA 93 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1pk7 s ALA 93 CO 0.02 0.33 0.00 1.55 0.00 0.00 0.00 175.76 177.66 1pk7 n VAL 94 N -0.27 0.00 -3.23 0.00 3.14 -1.26 -3.83 118.33 112.88 1pk7 n VAL 94 Ca 0.03 -0.07 -0.36 0.00 -2.96 0.00 0.00 64.34 60.98 1pk7 n VAL 94 Cb 0.53 0.51 -0.06 0.00 -1.06 0.00 0.00 33.84 33.76 1pk7 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pk7 s LEU 95 N -2.26 4.36 0.19 6.55 1.43 -1.26 -4.85 118.68 122.83 1pk7 s LEU 95 Ca 0.00 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.26 1pk7 s LEU 95 Cb 0.00 -3.38 0.10 0.00 0.03 0.00 0.00 46.19 42.94 1pk7 s LEU 95 CO 0.00 0.09 1.70 1.55 0.23 0.00 0.00 176.35 179.91 1pk7 h PRO 96 N 3.58 1.09 0.00 1.29 0.13 -1.98 -3.03 132.00 133.09 1pk7 h PRO 96 Ca -0.48 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1pk7 h PRO 96 Cb 1.19 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1pk7 h PRO 96 CO 0.65 0.98 0.00 -2.39 -0.23 0.00 0.00 178.00 177.01 1pk7 n HIS 97 N -4.26 0.26 -2.97 1.56 1.44 -1.26 -4.65 115.22 105.34 1pk7 n HIS 97 Ca 0.04 0.09 -0.42 0.00 -2.01 0.00 0.00 57.72 55.43 1pk7 n HIS 97 Cb 0.27 -0.65 -0.05 0.00 0.12 0.00 0.00 29.99 29.68 1pk7 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pk7 s VAL 98 N -3.07 4.78 0.25 0.61 1.01 -1.15 -5.04 120.40 117.80 1pk7 s VAL 98 Ca 0.09 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.09 1pk7 s VAL 98 Cb 0.13 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1pk7 s VAL 98 CO 0.42 -0.33 0.39 -0.54 0.00 0.00 0.00 175.10 175.03 1pk7 s LYS 99 N 2.98 3.45 0.46 2.72 -0.14 -1.26 -4.84 119.74 123.11 1pk7 s LYS 99 Ca 0.31 -0.66 -0.23 0.00 -1.36 0.00 0.00 55.97 54.03 1pk7 s LYS 99 Cb -0.14 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 1pk7 s LYS 99 CO 0.15 0.39 1.13 1.28 -0.76 0.00 0.00 175.35 177.53 1pk7 n LEU 100 N -1.37 3.59 0.00 3.17 4.77 -1.26 -1.21 117.00 124.68 1pk7 n LEU 100 Ca -0.08 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 1pk7 n LEU 100 Cb 0.56 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1pk7 n LEU 100 CO 0.46 -1.16 0.00 0.54 -1.33 0.00 0.00 177.39 175.90 1pk7 n ARG 101 N -0.20 0.00 -2.07 3.23 1.74 0.57 -4.93 116.66 115.00 1pk7 n ARG 101 Ca 0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.78 1pk7 n ARG 101 Cb 0.41 -2.59 -0.00 0.00 -1.02 0.00 0.00 32.46 29.26 1pk7 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pk7 s ASP 102 N -3.03 6.30 -0.09 0.55 1.11 -0.35 -4.65 116.67 116.51 1pk7 s ASP 102 Ca 0.00 2.63 -0.15 0.00 0.18 0.00 0.00 52.55 55.21 1pk7 s ASP 102 Cb 0.00 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1pk7 s ASP 102 CO 0.00 -0.86 0.37 -0.69 1.18 0.00 0.00 175.17 175.17 1pk7 s VAL 103 N -1.28 5.19 -0.04 -1.27 1.01 -1.26 -1.14 120.40 121.62 1pk7 s VAL 103 Ca 0.57 0.73 0.04 0.00 0.00 0.00 0.00 61.98 63.33 1pk7 s VAL 103 Cb -0.37 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1pk7 s VAL 103 CO 0.48 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 175.19 1pk7 s VAL 104 N -0.12 1.27 -0.22 2.92 1.01 0.18 -2.14 120.40 123.31 1pk7 s VAL 104 Ca 0.21 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1pk7 s VAL 104 Cb -0.15 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1pk7 s VAL 104 CO 0.09 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 174.85 1pk7 s ILE 105 N 0.06 2.95 -1.02 2.22 1.01 -0.14 0.45 121.20 126.74 1pk7 s ILE 105 Ca -0.03 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 1pk7 s ILE 105 Cb -0.11 -2.36 0.08 0.00 0.01 0.00 0.00 42.46 40.08 1pk7 s ILE 105 CO 0.02 0.39 1.37 -0.83 0.00 0.00 0.00 174.94 175.89 1pk7 s GLY 106 N 1.40 1.56 0.52 6.18 0.00 -0.63 -2.07 107.32 114.29 1pk7 s GLY 106 Ca 0.04 -2.53 0.34 0.00 0.00 0.00 0.00 44.72 42.57 1pk7 s GLY 106 CO -0.06 2.44 2.01 1.98 0.00 0.00 0.00 173.10 179.47 1pk7 h MET 107 N 9.17 0.00 -3.45 2.90 4.05 -1.65 -3.39 114.93 122.57 1pk7 h MET 107 Ca 0.21 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1pk7 h MET 107 Cb 1.00 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.66 1pk7 h MET 107 CO 1.32 0.00 -0.16 0.20 0.23 0.00 0.00 176.91 178.50 1pk7 s GLY 108 N -4.05 -0.17 -0.10 1.39 0.00 -1.19 -2.14 107.32 101.06 1pk7 s GLY 108 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.54 1pk7 s GLY 108 CO 0.48 -0.39 0.07 0.00 0.00 0.00 0.00 173.10 173.26 1pk7 s ALA 109 N -3.58 0.37 0.72 3.20 0.00 -0.32 -1.60 121.76 120.55 1pk7 s ALA 109 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1pk7 s ALA 109 Cb 0.02 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1pk7 s ALA 109 CO -0.10 -0.80 1.10 0.00 0.00 0.00 0.00 175.76 175.95 1pk7 s THR 111 N -3.38 0.00 -0.64 0.00 -1.32 -1.26 0.08 115.64 109.12 1pk7 s THR 111 Ca 0.59 -0.12 0.11 0.00 -1.21 0.00 0.00 61.69 61.06 1pk7 s THR 111 Cb -0.11 -1.15 0.33 0.00 -1.51 0.00 0.00 72.50 70.06 1pk7 s THR 111 CO 0.50 0.00 1.27 -0.90 -2.21 0.00 0.00 174.62 173.28 1pk7 n ASP 112 N -0.34 3.07 -4.90 8.08 3.85 -1.17 -4.95 116.55 120.18 1pk7 n ASP 112 Ca -0.12 -2.27 -0.28 0.00 -0.71 0.00 0.00 54.79 51.41 1pk7 n ASP 112 Cb 0.63 -0.29 0.01 0.00 -1.35 0.00 0.00 41.12 40.12 1pk7 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pk7 s SER 113 N -1.27 5.97 0.00 -1.12 0.15 -1.26 -4.85 113.70 111.32 1pk7 s SER 113 Ca 0.26 0.92 0.16 0.00 0.70 0.00 0.00 55.95 58.00 1pk7 s SER 113 Cb 0.17 -2.06 -0.10 0.00 -1.71 0.00 0.00 66.02 62.31 1pk7 s SER 113 CO 0.12 -0.83 0.77 1.17 1.20 0.00 0.00 173.24 175.68 1pk7 n LYS 114 N -2.48 1.65 -0.32 5.44 4.81 -1.26 -4.69 118.16 121.31 1pk7 n LYS 114 Ca 0.03 -0.36 0.11 0.00 -0.87 0.00 0.00 58.31 57.22 1pk7 n LYS 114 Cb 0.56 -1.28 0.28 0.00 0.02 0.00 0.00 35.03 34.61 1pk7 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pk7 h VAL 115 N 0.82 0.65 0.00 3.15 -1.51 -1.99 0.14 116.25 117.51 1pk7 h VAL 115 Ca 0.00 -0.21 -0.18 0.00 -1.23 0.00 0.00 66.70 65.08 1pk7 h VAL 115 Cb 0.47 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.60 1pk7 h VAL 115 CO 0.00 0.11 -0.84 0.78 -1.23 0.00 0.00 177.57 176.39 1pk7 h ASN 116 N 0.61 0.13 -0.55 4.19 -0.26 -1.94 -2.41 115.58 115.36 1pk7 h ASN 116 Ca 0.53 -0.11 -0.09 0.00 -0.56 0.00 0.00 56.30 56.07 1pk7 h ASN 116 Cb 0.85 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1pk7 h ASN 116 CO -0.41 0.91 -0.00 0.03 -1.06 0.00 0.00 177.43 176.90 1pk7 h ARG 117 N 0.06 0.97 -0.42 0.81 3.08 -1.42 0.49 114.38 117.94 1pk7 h ARG 117 Ca -0.03 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 1pk7 h ARG 117 Cb 1.47 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1pk7 h ARG 117 CO 0.12 0.98 0.24 0.82 -1.07 0.00 0.00 179.97 181.06 1pk7 h ILE 118 N 0.85 1.13 0.12 2.04 2.04 -0.96 0.15 117.51 122.88 1pk7 h ILE 118 Ca 0.16 -0.29 -0.27 0.00 1.00 0.00 0.00 64.86 65.45 1pk7 h ILE 118 Cb 0.54 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1pk7 h ILE 118 CO 0.03 0.13 -1.22 0.03 0.00 0.00 0.00 178.15 177.12 1pk7 h ARG 119 N 0.58 0.30 -0.91 2.37 3.08 -0.80 -3.38 114.38 115.62 1pk7 h ARG 119 Ca 0.15 -0.48 -0.61 0.00 0.07 0.00 0.00 59.98 59.11 1pk7 h ARG 119 Cb -0.01 0.18 -0.31 0.00 0.08 0.00 0.00 29.97 29.91 1pk7 h ARG 119 CO -0.03 1.22 0.45 0.34 -1.07 0.00 0.00 179.97 180.88 1pk7 n PHE 120 N -3.57 3.01 -3.24 3.04 7.35 0.16 -4.92 117.46 119.29 1pk7 n PHE 120 Ca -0.09 -2.69 -0.23 0.00 -0.76 0.00 0.00 57.45 53.69 1pk7 n PHE 120 Cb 1.01 -1.13 0.02 0.00 0.35 0.00 0.00 39.48 39.73 1pk7 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pk7 n LYS 121 N -0.91 -4.27 -2.34 -4.13 4.76 -1.15 -1.59 118.16 108.54 1pk7 n LYS 121 Ca 0.57 0.68 -0.19 0.00 -2.87 0.00 0.00 58.31 56.50 1pk7 n LYS 121 Cb 0.83 -5.47 -0.01 0.00 -1.84 0.00 0.00 35.03 28.54 1pk7 n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pk7 n ASP 122 N -2.43 -5.59 -4.91 4.39 2.03 0.48 -5.01 116.55 105.52 1pk7 n ASP 122 Ca -0.06 -0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.01 1pk7 n ASP 122 Cb 0.58 -4.63 -0.01 0.00 -0.72 0.00 0.00 41.12 36.34 1pk7 n ASP 122 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1pk7 s HIS 123 N -2.97 1.84 -0.43 -0.67 3.76 -0.62 -5.03 115.29 111.17 1pk7 s HIS 123 Ca 0.00 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 53.90 1pk7 s HIS 123 Cb 0.00 -2.00 0.02 0.00 1.11 0.00 0.00 32.58 31.72 1pk7 s HIS 123 CO 0.00 -0.46 0.92 -0.51 -0.85 0.00 0.00 174.74 173.84 1pk7 s ASP 124 N -4.28 6.56 -0.19 1.40 -0.00 -1.26 -4.60 116.67 114.29 1pk7 s ASP 124 Ca 0.40 0.27 -0.12 0.00 -0.00 0.00 0.00 52.55 53.10 1pk7 s ASP 124 Cb -0.02 -2.45 -0.05 0.00 -0.00 0.00 0.00 42.92 40.40 1pk7 s ASP 124 CO 0.24 -0.98 0.22 0.12 -0.00 0.00 0.00 175.17 174.78 1pk7 s PHE 125 N 3.65 3.40 -0.60 4.23 5.36 -1.26 -5.04 117.98 127.72 1pk7 s PHE 125 Ca 0.37 0.43 -0.23 0.00 -0.96 0.00 0.00 56.93 56.54 1pk7 s PHE 125 Cb -0.11 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.34 1pk7 s PHE 125 CO 0.24 0.19 0.93 0.00 -1.46 0.00 0.00 175.22 175.11 1pk7 s ALA 126 N 0.65 3.15 -0.63 11.12 0.00 -1.26 -4.99 121.76 129.81 1pk7 s ALA 126 Ca 0.12 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.22 1pk7 s ALA 126 Cb -0.13 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1pk7 s ALA 126 CO 0.02 -2.55 1.36 0.00 0.00 0.00 0.00 175.76 174.60 1pk7 s ALA 127 N 3.90 2.77 0.21 0.00 0.00 -1.26 -4.99 121.76 122.39 1pk7 s ALA 127 Ca 0.25 -0.93 0.11 0.00 0.00 0.00 0.00 51.96 51.39 1pk7 s ALA 127 Cb -0.15 -4.16 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 1pk7 s ALA 127 CO 0.14 -3.08 -0.22 0.96 0.00 0.00 0.00 175.76 173.56 1pk7 s ILE 128 N 5.99 2.44 0.88 0.00 -4.36 -1.26 -1.17 121.20 123.72 1pk7 s ILE 128 Ca 0.46 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 1pk7 s ILE 128 Cb -0.09 -2.20 0.20 0.00 1.25 0.00 0.00 42.46 41.61 1pk7 s ILE 128 CO 0.21 -0.18 1.21 0.00 0.24 0.00 0.00 174.94 176.42 1pk7 n ALA 129 N 0.05 -0.98 -2.68 2.27 0.00 -0.91 -4.89 120.51 113.36 1pk7 n ALA 129 Ca -0.11 -1.77 -0.42 0.00 0.00 0.00 0.00 53.44 51.15 1pk7 n ALA 129 Cb 0.57 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 1pk7 n ALA 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pk7 s ASP 130 N -5.53 7.06 0.26 0.00 -1.08 -0.94 -4.95 116.67 111.48 1pk7 s ASP 130 Ca 0.71 1.30 -0.02 0.00 -0.52 0.00 0.00 52.55 54.02 1pk7 s ASP 130 Cb -0.02 -2.48 0.51 0.00 -1.46 0.00 0.00 42.92 39.46 1pk7 s ASP 130 CO 0.49 -0.37 1.74 0.15 0.52 0.00 0.00 175.17 177.70 1pk7 h PHE 131 N 7.17 0.64 -0.59 -5.34 3.57 -1.95 -1.74 116.94 118.70 1pk7 h PHE 131 Ca -0.32 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.14 1pk7 h PHE 131 Cb 1.15 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1pk7 h PHE 131 CO 0.71 0.12 0.07 -0.44 -2.23 0.00 0.00 178.31 176.54 1pk7 h ASP 132 N 0.53 0.96 -0.65 0.41 3.32 -1.99 -0.53 116.42 118.48 1pk7 h ASP 132 Ca 0.44 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1pk7 h ASP 132 Cb 0.66 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1pk7 h ASP 132 CO -0.39 0.99 0.36 0.24 -1.72 0.00 0.00 179.24 178.73 1pk7 h MET 133 N 0.90 0.92 0.02 3.56 2.86 -1.76 0.13 114.93 121.55 1pk7 h MET 133 Ca 0.18 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1pk7 h MET 133 Cb 0.45 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1pk7 h MET 133 CO 0.02 0.68 -0.01 0.28 1.06 0.00 0.00 176.91 178.93 1pk7 h VAL 134 N 0.93 1.10 -0.50 -2.22 2.07 -0.82 -1.95 116.25 114.86 1pk7 h VAL 134 Ca 0.24 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1pk7 h VAL 134 Cb 0.03 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1pk7 h VAL 134 CO -0.04 0.10 0.20 -0.09 0.02 0.00 0.00 177.57 177.75 1pk7 h ARG 135 N -0.18 0.71 -0.35 1.57 2.43 -0.58 -2.33 114.38 115.64 1pk7 h ARG 135 Ca -0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1pk7 h ARG 135 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1pk7 h ARG 135 CO 0.00 0.59 0.09 -0.91 -1.51 0.00 0.00 179.97 178.24 1pk7 h ASN 136 N 0.71 0.53 -0.61 -3.80 2.35 -0.57 -1.43 115.58 112.75 1pk7 h ASN 136 Ca 0.17 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1pk7 h ASN 136 Cb 0.14 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1pk7 h ASN 136 CO -0.02 0.61 0.26 0.00 -1.65 0.00 0.00 177.43 176.64 1pk7 h ALA 137 N 0.93 1.25 -0.12 -0.83 0.00 -1.10 0.37 119.26 119.77 1pk7 h ALA 137 Ca 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1pk7 h ALA 137 Cb 0.29 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pk7 h ALA 137 CO -0.00 0.55 -0.08 0.28 0.00 0.00 0.00 179.25 180.00 1pk7 h VAL 138 N 0.92 1.34 -0.49 0.00 2.07 -1.29 -1.50 116.25 117.30 1pk7 h VAL 138 Ca 0.22 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1pk7 h VAL 138 Cb 0.17 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1pk7 h VAL 138 CO -0.02 0.34 0.22 0.44 0.02 0.00 0.00 177.57 178.57 1pk7 h ASP 139 N -0.11 0.66 -0.64 0.57 3.45 -1.07 -1.43 116.42 117.84 1pk7 h ASP 139 Ca 0.02 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 1pk7 h ASP 139 Cb 0.57 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.14 1pk7 h ASP 139 CO 0.02 0.62 0.33 0.00 -1.57 0.00 0.00 179.24 178.65 1pk7 h ALA 140 N 1.06 1.33 -0.20 3.45 0.00 -0.93 -0.81 119.26 123.17 1pk7 h ALA 140 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1pk7 h ALA 140 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pk7 h ALA 140 CO -0.02 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 1pk7 h ALA 141 N 1.43 0.28 -0.86 0.00 0.00 -0.94 -2.41 119.26 116.76 1pk7 h ALA 141 Ca 0.23 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1pk7 h ALA 141 Cb 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1pk7 h ALA 141 CO -0.03 0.05 0.49 -0.22 0.00 0.00 0.00 179.25 179.54 1pk7 h LYS 142 N 0.11 0.77 -0.41 0.00 1.63 -0.78 0.50 116.57 118.38 1pk7 h LYS 142 Ca 0.05 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1pk7 h LYS 142 Cb 0.49 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 1pk7 h LYS 142 CO 0.02 0.51 0.13 0.00 -3.45 0.00 0.00 179.45 176.66 1pk7 h ALA 143 N 1.49 0.48 -0.04 5.00 0.00 -0.91 0.22 119.26 125.50 1pk7 h ALA 143 Ca 0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1pk7 h ALA 143 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pk7 h ALA 143 CO -0.27 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.00 1pk7 n LEU 144 N -5.03 0.93 -2.89 0.00 4.32 -0.01 -4.86 117.00 109.47 1pk7 n LEU 144 Ca 0.03 -0.47 -0.19 0.00 -0.02 0.00 0.00 56.01 55.36 1pk7 n LEU 144 Cb 0.16 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1pk7 n LEU 144 CO 0.26 0.20 -0.09 0.61 -1.22 0.00 0.00 177.39 177.14 1pk7 n GLY 145 N 0.24 -0.50 3.85 -0.72 0.00 0.78 -4.97 105.19 103.88 1pk7 n GLY 145 Ca 0.02 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1pk7 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk7 s ILE 146 N -2.87 4.97 -0.44 -0.61 1.01 -0.17 -4.99 121.20 118.10 1pk7 s ILE 146 Ca 0.20 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1pk7 s ILE 146 Cb -0.10 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.97 1pk7 s ILE 146 CO 0.25 0.11 0.48 -1.81 0.00 0.00 0.00 174.94 173.97 1pk7 s ASP 147 N -2.53 6.21 -0.05 3.58 1.11 -1.26 -4.02 116.67 119.71 1pk7 s ASP 147 Ca 0.32 -0.73 0.01 0.00 0.18 0.00 0.00 52.55 52.33 1pk7 s ASP 147 Cb -0.12 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 1pk7 s ASP 147 CO 0.25 -0.65 -0.06 0.00 1.18 0.00 0.00 175.17 175.89 1pk7 s ALA 148 N 2.23 3.02 -0.12 5.23 0.00 -1.26 -4.03 121.76 126.83 1pk7 s ALA 148 Ca 0.13 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1pk7 s ALA 148 Cb -0.18 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1pk7 s ALA 148 CO 0.13 0.59 -0.11 0.50 0.00 0.00 0.00 175.76 176.87 1pk7 s ARG 149 N -0.97 3.26 -0.23 0.00 3.52 -0.91 -5.01 118.95 118.60 1pk7 s ARG 149 Ca 0.14 -0.64 -0.07 0.00 -0.13 0.00 0.00 55.73 55.02 1pk7 s ARG 149 Cb -0.11 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 1pk7 s ARG 149 CO 0.03 0.32 0.07 0.08 -0.81 0.00 0.00 175.30 174.99 1pk7 s VAL 150 N 0.09 4.42 0.00 7.11 1.01 -1.26 -0.96 120.40 130.81 1pk7 s VAL 150 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1pk7 s VAL 150 Cb -0.14 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1pk7 s VAL 150 CO 0.04 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1pk7 n GLY 151 N 4.58 2.62 3.89 4.51 0.00 -0.88 -4.95 105.19 114.96 1pk7 n GLY 151 Ca -0.16 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1pk7 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pk7 s ASN 152 N 2.00 6.49 0.41 1.61 0.01 -1.26 -1.69 114.94 122.51 1pk7 s ASN 152 Ca 0.00 0.56 0.07 0.00 -0.71 0.00 0.00 52.86 52.78 1pk7 s ASN 152 Cb 0.00 -2.08 -0.08 0.00 0.41 0.00 0.00 41.25 39.50 1pk7 s ASN 152 CO 0.00 0.12 0.01 -0.76 -1.51 0.00 0.00 177.10 174.97 1pk7 s LEU 153 N -2.37 2.82 -0.09 0.60 1.43 -0.63 -0.97 118.68 119.47 1pk7 s LEU 153 Ca 0.37 -1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1pk7 s LEU 153 Cb -0.13 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1pk7 s LEU 153 CO 0.23 -0.47 -0.04 0.12 0.23 0.00 0.00 176.35 176.41 1pk7 s PHE 154 N -2.75 1.12 -0.60 0.29 5.36 -0.83 -0.03 117.98 120.54 1pk7 s PHE 154 Ca 0.34 -0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 55.65 1pk7 s PHE 154 Cb 0.10 -1.03 0.12 0.00 -0.34 0.00 0.00 43.02 41.86 1pk7 s PHE 154 CO 0.17 -0.42 0.67 -1.12 -1.46 0.00 0.00 175.22 173.07 1pk7 s SER 155 N 1.74 6.22 0.06 6.13 0.01 0.11 -0.71 113.70 127.26 1pk7 s SER 155 Ca 0.04 -1.59 -0.24 0.00 1.31 0.00 0.00 55.95 55.47 1pk7 s SER 155 Cb -0.13 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 1pk7 s SER 155 CO -0.06 -1.03 0.74 0.00 0.41 0.00 0.00 173.24 173.29 1pk7 s ALA 156 N 2.33 3.40 0.16 1.44 0.00 0.09 -3.02 121.76 126.16 1pk7 s ALA 156 Ca 0.10 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1pk7 s ALA 156 Cb -0.25 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1pk7 s ALA 156 CO 0.04 0.13 1.37 -0.44 0.00 0.00 0.00 175.76 176.86 1pk7 h ASP 157 N 5.41 0.14 -3.77 0.00 3.45 -1.88 -3.42 116.42 116.35 1pk7 h ASP 157 Ca -0.45 -0.12 -0.68 0.00 0.43 0.00 0.00 57.03 56.21 1pk7 h ASP 157 Cb 1.21 -0.04 -0.34 0.00 -0.56 0.00 0.00 39.33 39.59 1pk7 h ASP 157 CO 0.70 0.96 -0.71 -0.76 -1.57 0.00 0.00 179.24 177.86 1pk7 s LEU 158 N -7.20 3.94 0.61 1.55 1.43 -1.26 -4.94 118.68 112.82 1pk7 s LEU 158 Ca -0.01 -1.38 0.36 0.00 -1.03 0.00 0.00 54.13 52.06 1pk7 s LEU 158 Cb 0.10 -1.69 2.01 0.00 0.03 0.00 0.00 46.19 46.65 1pk7 s LEU 158 CO 0.82 -0.27 2.27 0.15 0.23 0.00 0.00 176.35 179.55 1pk7 h PHE 159 N 7.94 0.00 -3.21 0.29 3.04 -1.98 -3.06 116.94 119.96 1pk7 h PHE 159 Ca -0.19 0.00 -0.63 0.00 3.98 0.00 0.00 57.97 61.13 1pk7 h PHE 159 Cb 1.05 0.00 -0.41 0.00 2.56 0.00 0.00 35.95 39.15 1pk7 h PHE 159 CO 0.61 0.02 -0.62 0.71 -2.02 0.00 0.00 178.31 177.01 1pk7 s TYR 160 N -4.32 3.22 -0.14 0.41 2.02 -1.26 -5.08 117.35 112.20 1pk7 s TYR 160 Ca -0.04 -3.18 -0.28 0.00 -0.37 0.00 0.00 57.07 53.19 1pk7 s TYR 160 Cb 0.14 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 1pk7 s TYR 160 CO 0.49 -0.66 0.97 0.45 -1.57 0.00 0.00 175.55 175.23 1pk7 s SER 161 N -0.73 7.15 0.64 2.29 0.15 -1.16 -4.91 113.70 117.13 1pk7 s SER 161 Ca 0.21 1.42 0.42 0.00 0.70 0.00 0.00 55.95 58.70 1pk7 s SER 161 Cb -0.16 -2.53 2.18 0.00 -1.71 0.00 0.00 66.02 63.80 1pk7 s SER 161 CO -0.07 -0.47 2.28 1.55 1.20 0.00 0.00 173.24 177.73 1pk7 h PRO 162 N 7.20 0.00 -5.90 5.44 0.13 -1.98 -3.41 132.00 133.49 1pk7 h PRO 162 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 1pk7 h PRO 162 Cb 1.13 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 1pk7 h PRO 162 CO 0.87 0.00 -0.16 0.34 -0.23 0.00 0.00 178.00 178.82 1pk7 s ASP 163 N -5.30 6.77 -0.12 1.44 3.68 -1.26 -5.00 116.67 116.88 1pk7 s ASP 163 Ca -0.04 0.91 0.05 0.00 2.13 0.00 0.00 52.55 55.61 1pk7 s ASP 163 Cb 0.12 -2.27 -0.10 0.00 -1.45 0.00 0.00 42.92 39.21 1pk7 s ASP 163 CO 0.44 0.18 -0.05 0.61 0.13 0.00 0.00 175.17 176.48 1pk7 n GLY 164 N 2.47 -0.32 0.20 2.66 0.00 -1.26 -4.55 105.19 104.38 1pk7 n GLY 164 Ca -0.11 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1pk7 n GLY 164 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pk7 h GLU 165 N 0.00 0.00 0.00 1.61 4.11 -1.98 -2.24 114.58 116.07 1pk7 h GLU 165 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1pk7 h GLU 165 Cb 1.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 1pk7 h GLU 165 CO -0.02 0.00 -0.02 1.98 0.07 0.00 0.00 179.01 181.02 1pk7 h MET 166 N 0.00 0.00 0.00 1.06 4.05 -2.01 -0.04 114.93 117.99 1pk7 h MET 166 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1pk7 h MET 166 Cb 0.07 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1pk7 h MET 166 CO 0.00 0.02 -0.46 0.74 0.23 0.00 0.00 176.91 177.44 1pk7 h PHE 167 N 0.00 0.00 -0.24 1.39 -1.00 -1.72 -2.35 116.94 113.01 1pk7 h PHE 167 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1pk7 h PHE 167 Cb 0.11 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 1pk7 h PHE 167 CO 0.00 0.46 -0.23 -0.44 -1.61 0.00 0.00 178.31 176.50 1pk7 h ASP 168 N 0.00 0.61 0.49 2.17 3.45 -1.18 -2.58 116.42 119.38 1pk7 h ASP 168 Ca -0.00 -0.47 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 1pk7 h ASP 168 Cb 1.19 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1pk7 h ASP 168 CO 0.06 0.96 -0.27 0.58 -1.57 0.00 0.00 179.24 178.99 1pk7 h VAL 169 N 0.28 0.44 -0.99 -1.35 2.07 -1.40 -0.61 116.25 114.68 1pk7 h VAL 169 Ca 0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.79 1pk7 h VAL 169 Cb 0.78 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 30.87 1pk7 h VAL 169 CO 0.06 0.00 0.58 0.24 0.02 0.00 0.00 177.57 178.47 1pk7 h MET 170 N -0.71 0.59 0.05 1.57 2.86 -1.44 0.47 114.93 118.31 1pk7 h MET 170 Ca -0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1pk7 h MET 170 Cb 0.57 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1pk7 h MET 170 CO 0.08 0.39 -0.03 1.49 1.06 0.00 0.00 176.91 179.91 1pk7 h GLU 171 N 0.61 -0.07 -0.38 1.72 4.81 -1.16 0.13 114.58 120.23 1pk7 h GLU 171 Ca 0.62 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.97 1pk7 h GLU 171 Cb 1.13 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1pk7 h GLU 171 CO -0.46 0.29 0.39 -0.22 -0.73 0.00 0.00 179.01 178.29 1pk7 h LYS 172 N -0.44 0.00 -0.43 1.92 3.64 0.64 0.11 116.57 122.00 1pk7 h LYS 172 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1pk7 h LYS 172 Cb 0.40 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1pk7 h LYS 172 CO 0.01 0.00 0.05 0.66 -2.27 0.00 0.00 179.45 177.90 1pk7 n TYR 173 N -3.79 1.51 -2.87 1.91 4.01 -0.34 -4.97 117.16 112.61 1pk7 n TYR 173 Ca 0.07 -0.98 -0.22 0.00 -0.16 0.00 0.00 57.90 56.60 1pk7 n TYR 173 Cb 0.57 -0.45 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1pk7 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pk7 n GLY 174 N -0.26 -0.52 3.76 2.72 0.00 0.36 -4.96 105.19 106.30 1pk7 n GLY 174 Ca 0.28 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 1pk7 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk7 s ILE 175 N -3.14 2.63 -0.12 -0.61 -1.09 0.42 -4.54 121.20 114.76 1pk7 s ILE 175 Ca 0.23 0.58 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1pk7 s ILE 175 Cb -0.10 -3.37 -0.26 0.00 -1.58 0.00 0.00 42.46 37.14 1pk7 s ILE 175 CO 0.28 0.12 0.46 -0.07 -1.23 0.00 0.00 174.94 174.50 1pk7 h LEU 176 N 4.10 0.36 -7.33 2.97 3.38 -1.39 -3.40 115.31 114.00 1pk7 h LEU 176 Ca -0.48 -0.85 -0.09 0.00 0.09 0.00 0.00 57.88 56.55 1pk7 h LEU 176 Cb 1.22 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 1pk7 h LEU 176 CO 0.71 1.70 -0.10 -0.83 0.09 0.00 0.00 178.44 180.00 1pk7 s GLY 177 N -5.16 -0.30 -0.14 0.83 0.00 -1.25 -4.25 107.32 97.05 1pk7 s GLY 177 Ca -0.21 0.61 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 1pk7 s GLY 177 CO 0.75 0.35 0.02 0.14 0.00 0.00 0.00 173.10 174.35 1pk7 s VAL 178 N -1.54 4.40 0.00 1.40 1.01 0.52 -1.97 120.40 124.22 1pk7 s VAL 178 Ca -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1pk7 s VAL 178 Cb -0.03 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1pk7 s VAL 178 CO 0.04 0.52 0.00 -1.84 0.00 0.00 0.00 175.10 173.82 1pk7 n GLU 179 N 3.06 0.00 -2.50 2.72 -0.00 0.11 -1.61 120.64 122.42 1pk7 n GLU 179 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.99 1pk7 n GLU 179 Cb 0.53 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 32.01 1pk7 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pk7 n MET 180 N 0.00 1.30 0.00 3.44 2.81 -1.26 -0.73 117.12 122.68 1pk7 n MET 180 Ca 0.00 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 1pk7 n MET 180 Cb 0.00 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1pk7 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pk7 n GLU 181 N -0.37 0.00 -0.20 0.03 4.71 -1.26 -2.71 120.64 120.85 1pk7 n GLU 181 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.20 1pk7 n GLU 181 Cb 0.88 -0.07 0.01 0.00 -1.01 0.00 0.00 31.44 31.25 1pk7 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pk7 n ALA 182 N -2.19 -0.09 0.16 0.62 0.00 -1.26 0.26 120.51 118.01 1pk7 n ALA 182 Ca 0.00 0.51 0.05 0.00 0.00 0.00 0.00 53.44 54.00 1pk7 n ALA 182 Cb 0.00 -0.22 0.49 0.00 0.00 0.00 0.00 19.45 19.72 1pk7 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pk7 h ALA 183 N 0.68 1.72 0.07 0.00 0.00 -1.85 -0.64 119.26 119.24 1pk7 h ALA 183 Ca 0.17 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1pk7 h ALA 183 Cb 0.30 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1pk7 h ALA 183 CO -0.51 0.21 -1.00 0.78 0.00 0.00 0.00 179.25 178.73 1pk7 h GLY 184 N 0.46 0.63 1.05 0.00 0.00 -0.55 -2.61 103.07 102.05 1pk7 h GLY 184 Ca 0.04 -1.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.09 1pk7 h GLY 184 CO 0.01 1.09 0.28 -2.22 0.00 0.00 0.00 176.54 175.69 1pk7 h ILE 185 N 0.15 1.26 -0.51 2.60 2.04 -1.03 -2.43 117.51 119.59 1pk7 h ILE 185 Ca -0.14 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 1pk7 h ILE 185 Cb 1.69 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1pk7 h ILE 185 CO 0.19 0.34 -0.09 1.88 0.00 0.00 0.00 178.15 180.47 1pk7 h TYR 186 N 1.11 1.03 -0.65 1.37 0.99 -1.18 -1.83 116.97 117.82 1pk7 h TYR 186 Ca 0.25 -0.20 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 1pk7 h TYR 186 Cb 0.25 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 37.69 1pk7 h TYR 186 CO 0.02 0.97 0.11 0.78 -0.00 0.00 0.00 178.16 180.04 1pk7 h GLY 187 N 0.97 1.14 0.74 3.88 0.00 -1.24 -1.77 103.07 106.78 1pk7 h GLY 187 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1pk7 h GLY 187 CO 0.04 0.68 0.00 -2.08 0.00 0.00 0.00 176.54 175.19 1pk7 h VAL 188 N 0.99 1.23 -0.42 4.60 2.07 -1.29 -0.38 116.25 123.05 1pk7 h VAL 188 Ca 0.20 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1pk7 h VAL 188 Cb 0.41 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1pk7 h VAL 188 CO 0.01 0.18 0.02 0.00 0.02 0.00 0.00 177.57 177.80 1pk7 h ALA 189 N 0.73 0.40 -0.73 1.67 0.00 -1.22 -0.06 119.26 120.05 1pk7 h ALA 189 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1pk7 h ALA 189 Cb 0.29 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1pk7 h ALA 189 CO 0.00 -0.38 0.49 0.00 0.00 0.00 0.00 179.25 179.36 1pk7 h ALA 190 N 1.36 0.93 -0.77 0.00 0.00 -1.24 0.16 119.26 119.69 1pk7 h ALA 190 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pk7 h ALA 190 Cb 0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pk7 h ALA 190 CO -0.33 0.35 0.40 1.49 0.00 0.00 0.00 179.25 181.15 1pk7 h GLU 191 N 0.99 1.08 -0.18 0.00 4.81 0.57 -3.11 114.58 118.75 1pk7 h GLU 191 Ca 0.27 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1pk7 h GLU 191 Cb -0.12 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.02 1pk7 h GLU 191 CO -0.06 0.81 -0.14 1.19 -0.73 0.00 0.00 179.01 180.09 1pk7 n PHE 192 N -4.34 0.57 -3.54 0.92 3.01 -0.20 -5.01 117.46 108.87 1pk7 n PHE 192 Ca 0.08 -1.29 -0.26 0.00 1.01 0.00 0.00 57.45 56.99 1pk7 n PHE 192 Cb 0.12 -0.32 0.05 0.00 -0.01 0.00 0.00 39.48 39.31 1pk7 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk7 n GLY 193 N -1.07 -1.06 3.33 1.37 0.00 0.03 -5.00 105.19 102.79 1pk7 n GLY 193 Ca 0.24 0.50 -0.17 0.00 0.00 0.00 0.00 46.02 46.58 1pk7 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk7 s ALA 194 N -3.42 1.80 -0.02 4.61 0.00 0.33 -5.02 121.76 120.05 1pk7 s ALA 194 Ca 0.45 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1pk7 s ALA 194 Cb -0.13 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1pk7 s ALA 194 CO 0.83 -0.42 0.00 0.15 0.00 0.00 0.00 175.76 176.31 1pk7 s LYS 195 N -4.00 2.83 0.07 0.00 1.02 -0.97 -4.36 119.74 114.32 1pk7 s LYS 195 Ca 0.37 -0.57 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 1pk7 s LYS 195 Cb 0.08 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1pk7 s LYS 195 CO 0.13 0.64 0.14 0.00 -0.92 0.00 0.00 175.35 175.34 1pk7 s ALA 196 N -1.05 -0.08 0.02 5.17 0.00 -1.26 -1.44 121.76 123.12 1pk7 s ALA 196 Ca 0.18 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 1pk7 s ALA 196 Cb -0.11 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1pk7 s ALA 196 CO 0.09 -0.44 0.32 -1.17 0.00 0.00 0.00 175.76 174.55 1pk7 s LEU 197 N -2.68 0.82 -0.07 0.00 2.96 0.17 -2.21 118.68 117.67 1pk7 s LEU 197 Ca 0.03 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1pk7 s LEU 197 Cb 0.04 1.36 0.02 0.00 0.50 0.00 0.00 46.19 48.11 1pk7 s LEU 197 CO -0.09 -0.56 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.41 1pk7 s THR 198 N -2.11 0.91 -0.08 3.68 2.01 -1.26 -0.20 115.64 118.60 1pk7 s THR 198 Ca -0.08 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1pk7 s THR 198 Cb -0.02 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1pk7 s THR 198 CO -0.00 0.32 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.40 1pk7 s ILE 199 N 1.08 1.84 0.22 1.82 1.01 -0.05 -1.60 121.20 125.52 1pk7 s ILE 199 Ca -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1pk7 s ILE 199 Cb -0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1pk7 s ILE 199 CO -0.01 0.51 -0.04 0.00 0.00 0.00 0.00 174.94 175.41 1pk7 s THR 201 N -3.31 1.29 -0.26 0.00 -4.23 -0.47 0.51 115.64 109.16 1pk7 s THR 201 Ca 0.26 -0.59 -0.28 0.00 -1.18 0.00 0.00 61.69 59.90 1pk7 s THR 201 Cb 0.04 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1pk7 s THR 201 CO 0.08 0.38 1.89 -0.69 -0.54 0.00 0.00 174.62 175.74 1pk7 s VAL 202 N 0.44 3.37 -0.18 2.29 1.01 -0.29 -1.78 120.40 125.26 1pk7 s VAL 202 Ca -0.12 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1pk7 s VAL 202 Cb -0.14 -3.46 -0.22 0.00 0.00 0.00 0.00 36.38 32.56 1pk7 s VAL 202 CO 0.04 -0.27 0.23 -1.54 0.00 0.00 0.00 175.10 173.56 1pk7 n SER 203 N 10.20 1.98 -4.19 3.32 3.41 -0.26 -0.32 113.62 127.78 1pk7 n SER 203 Ca 0.24 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1pk7 n SER 203 Cb 0.46 -0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 1pk7 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pk7 s ASP 204 N -6.96 1.45 -0.26 4.04 -4.77 -1.24 -4.87 116.67 104.05 1pk7 s ASP 204 Ca -0.27 -0.90 0.12 0.00 -3.30 0.00 0.00 52.55 48.21 1pk7 s ASP 204 Cb 0.07 0.02 0.60 0.00 -1.09 0.00 0.00 42.92 42.53 1pk7 s ASP 204 CO 0.66 -0.32 1.58 1.57 0.70 0.00 0.00 175.17 179.35 1pk7 n HIS 205 N 0.26 1.54 0.00 2.11 -0.00 -1.26 -1.03 115.22 116.84 1pk7 n HIS 205 Ca -0.14 -1.18 0.00 0.00 0.46 0.00 0.00 57.72 56.86 1pk7 n HIS 205 Cb 0.59 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1pk7 n HIS 205 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1pk7 n ILE 206 N -0.55 0.00 0.00 3.57 5.41 -1.25 -3.04 119.36 123.50 1pk7 n ILE 206 Ca 0.32 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1pk7 n ILE 206 Cb 1.11 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.04 1pk7 n ILE 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pk7 n ARG 207 N 0.00 0.00 -4.08 0.38 3.00 -1.26 -4.69 116.66 110.01 1pk7 n ARG 207 Ca 0.00 0.17 -0.32 0.00 -0.00 0.00 0.00 57.85 57.70 1pk7 n ARG 207 Cb 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 32.46 31.23 1pk7 n ARG 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1pk7 s THR 208 N -1.29 2.00 -0.07 5.15 2.01 -1.17 -5.12 115.64 117.16 1pk7 s THR 208 Ca 0.00 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.84 1pk7 s THR 208 Cb 0.00 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1pk7 s THR 208 CO 0.00 0.30 0.01 -2.28 -0.69 0.00 0.00 174.62 171.96 1pk7 s HIS 209 N 1.26 3.16 0.00 4.92 2.46 -1.26 -4.43 115.29 121.40 1pk7 s HIS 209 Ca -0.00 0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.71 1pk7 s HIS 209 Cb -0.16 -1.77 0.00 0.00 -0.13 0.00 0.00 32.58 30.53 1pk7 s HIS 209 CO -0.10 0.48 0.00 0.39 -2.47 0.00 0.00 174.74 173.04 1pk7 n GLU 210 N 1.95 0.00 -3.39 2.88 4.71 -1.26 -5.04 120.64 120.49 1pk7 n GLU 210 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 56.84 1pk7 n GLU 210 Cb 0.53 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.87 1pk7 n GLU 210 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1pk7 s GLN 211 N 1.71 0.31 -0.07 3.49 -1.52 -1.26 -5.14 119.66 117.17 1pk7 s GLN 211 Ca 0.00 0.20 -0.04 0.00 -1.95 0.00 0.00 55.36 53.57 1pk7 s GLN 211 Cb 0.00 -0.67 -0.04 0.00 -0.22 0.00 0.00 33.01 32.08 1pk7 s GLN 211 CO 0.00 -0.82 0.11 0.95 -0.25 0.00 0.00 175.29 175.28 1pk7 s THR 212 N 2.44 5.12 0.42 -0.19 -4.23 -1.26 -5.11 115.64 112.83 1pk7 s THR 212 Ca 0.10 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1pk7 s THR 212 Cb -0.15 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 1pk7 s THR 212 CO -0.22 0.52 0.66 0.42 -0.54 0.00 0.00 174.62 175.46 1pk7 s THR 213 N -1.08 4.73 -0.25 3.99 -4.23 -1.26 -4.93 115.64 112.61 1pk7 s THR 213 Ca 0.18 -0.27 0.27 0.00 -1.18 0.00 0.00 61.69 60.69 1pk7 s THR 213 Cb -0.12 -3.76 0.30 0.00 1.34 0.00 0.00 72.50 70.26 1pk7 s THR 213 CO 0.08 -0.58 1.81 0.00 -0.54 0.00 0.00 174.62 175.39 1pk7 h ALA 214 N 0.49 1.00 0.03 3.99 0.00 -1.99 0.72 119.26 123.49 1pk7 h ALA 214 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pk7 h ALA 214 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pk7 h ALA 214 CO 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 1pk7 h ALA 215 N 2.16 -0.03 -0.30 0.00 0.00 -2.00 -2.93 119.26 116.16 1pk7 h ALA 215 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1pk7 h ALA 215 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pk7 h ALA 215 CO 0.00 -0.09 0.11 0.93 0.00 0.00 0.00 179.25 180.20 1pk7 h GLU 216 N -0.90 0.46 -0.10 0.00 5.08 -1.89 -2.99 114.58 114.24 1pk7 h GLU 216 Ca -0.00 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1pk7 h GLU 216 Cb 0.73 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1pk7 h GLU 216 CO 0.01 0.48 0.08 -0.09 -1.00 0.00 0.00 179.01 178.49 1pk7 h ARG 217 N 0.33 0.00 0.06 2.33 9.65 -0.98 -1.57 114.38 124.20 1pk7 h ARG 217 Ca 0.10 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.73 1pk7 h ARG 217 Cb 0.21 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1pk7 h ARG 217 CO -0.01 0.00 -1.21 0.37 2.80 0.00 0.00 179.97 181.93 1pk7 h GLN 218 N 0.00 0.13 -0.15 0.20 4.15 -1.41 -2.86 115.11 115.18 1pk7 h GLN 218 Ca 0.05 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1pk7 h GLN 218 Cb 0.20 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1pk7 h GLN 218 CO -0.00 1.05 0.07 1.15 -1.93 0.00 0.00 178.83 179.17 1pk7 h THR 219 N 0.03 1.13 -0.50 2.39 2.02 -1.18 0.17 112.91 116.98 1pk7 h THR 219 Ca -0.10 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.70 1pk7 h THR 219 Cb 1.89 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 1pk7 h THR 219 CO 0.16 0.12 0.32 0.74 0.37 0.00 0.00 175.52 177.23 1pk7 h THR 220 N 0.10 1.10 -0.31 3.16 2.02 -1.43 0.13 112.91 117.68 1pk7 h THR 220 Ca 0.05 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1pk7 h THR 220 Cb 0.13 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1pk7 h THR 220 CO -0.01 0.12 0.20 0.15 0.37 0.00 0.00 175.52 176.35 1pk7 h PHE 221 N 0.64 0.38 0.00 3.16 3.04 -1.24 -0.48 116.94 122.45 1pk7 h PHE 221 Ca 0.19 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 1pk7 h PHE 221 Cb -0.04 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1pk7 h PHE 221 CO -0.05 0.24 -0.30 -0.91 -2.02 0.00 0.00 178.31 175.27 1pk7 h ASN 222 N 0.42 0.00 -0.60 0.41 2.35 -0.28 -2.04 115.58 115.83 1pk7 h ASN 222 Ca 0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1pk7 h ASN 222 Cb -0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1pk7 h ASN 222 CO -0.03 0.30 0.06 0.44 -1.65 0.00 0.00 177.43 176.55 1pk7 h ASP 223 N 0.00 0.98 -0.65 5.81 3.32 0.08 -2.27 116.42 123.69 1pk7 h ASP 223 Ca -0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1pk7 h ASP 223 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1pk7 h ASP 223 CO 0.04 1.02 0.10 -0.03 -1.72 0.00 0.00 179.24 178.65 1pk7 h MET 224 N 0.92 1.08 -0.31 3.56 1.85 -0.52 -1.80 114.93 119.70 1pk7 h MET 224 Ca 0.18 -0.29 -0.11 0.00 -0.61 0.00 0.00 59.70 58.87 1pk7 h MET 224 Cb 0.48 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 1pk7 h MET 224 CO 0.02 0.99 -0.25 0.82 -0.40 0.00 0.00 176.91 178.10 1pk7 h ILE 225 N 1.00 1.27 -0.29 1.77 1.08 -1.24 0.53 117.51 121.63 1pk7 h ILE 225 Ca 0.20 -1.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.31 1pk7 h ILE 225 Cb 0.44 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1pk7 h ILE 225 CO 0.01 0.43 0.02 0.11 -0.69 0.00 0.00 178.15 178.03 1pk7 h LYS 226 N 0.54 0.50 -0.10 2.37 1.57 -1.28 0.28 116.57 120.45 1pk7 h LYS 226 Ca 0.08 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1pk7 h LYS 226 Cb 0.71 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1pk7 h LYS 226 CO 0.05 0.63 -0.09 0.82 -0.57 0.00 0.00 179.45 180.30 1pk7 h ILE 227 N 0.30 0.75 -0.68 1.86 2.04 -1.05 0.39 117.51 121.12 1pk7 h ILE 227 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1pk7 h ILE 227 Cb 0.40 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1pk7 h ILE 227 CO 0.01 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.61 1pk7 h ALA 228 N 0.97 0.86 -0.20 1.87 0.00 -0.66 -1.23 119.26 120.88 1pk7 h ALA 228 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1pk7 h ALA 228 Cb 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pk7 h ALA 228 CO -0.16 0.28 -0.17 -0.07 0.00 0.00 0.00 179.25 179.12 1pk7 h LEU 229 N 0.91 0.49 -1.25 0.00 3.38 -0.01 -3.09 115.31 115.74 1pk7 h LEU 229 Ca 0.25 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1pk7 h LEU 229 Cb -0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1pk7 h LEU 229 CO -0.06 0.85 -0.21 -0.33 0.09 0.00 0.00 178.44 178.79 1pk7 h GLU 230 N 0.13 0.25 -0.11 1.13 4.39 -0.17 -2.76 114.58 117.44 1pk7 h GLU 230 Ca 0.03 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1pk7 h GLU 230 Cb 0.71 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1pk7 h GLU 230 CO 0.04 0.46 -0.26 0.66 -1.16 0.00 0.00 179.01 178.75 1pk7 h SER 231 N 0.23 0.19 0.29 1.42 4.64 -1.19 -2.30 113.55 116.83 1pk7 h SER 231 Ca 0.04 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1pk7 h SER 231 Cb 0.51 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1pk7 h SER 231 CO 0.03 0.46 -0.14 0.58 -0.87 0.00 0.00 176.83 176.89 1pk7 h VAL 232 N 0.18 0.73 -0.58 0.95 2.07 -1.41 0.14 116.25 118.33 1pk7 h VAL 232 Ca 0.03 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1pk7 h VAL 232 Cb 0.56 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1pk7 h VAL 232 CO 0.04 0.04 0.18 -0.07 0.02 0.00 0.00 177.57 177.79 1pk7 h LEU 233 N -0.50 0.15 -0.57 2.57 3.38 -1.49 0.36 115.31 119.21 1pk7 h LEU 233 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pk7 h LEU 233 Cb 0.37 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1pk7 h LEU 233 CO 0.07 0.09 0.36 -0.07 0.09 0.00 0.00 178.44 178.98 1pk7 h LEU 234 N 0.35 0.67 -0.98 1.67 3.38 -1.27 -0.11 115.31 119.02 1pk7 h LEU 234 Ca 0.29 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.36 1pk7 h LEU 234 Cb 0.38 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1pk7 h LEU 234 CO -0.32 0.51 0.61 1.23 0.09 0.00 0.00 178.44 180.55 1pk7 h GLY 235 N 0.77 1.64 2.00 0.83 0.00 0.19 1.01 103.07 109.50 1pk7 h GLY 235 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1pk7 h GLY 235 CO -0.04 0.10 0.00 1.22 0.00 0.00 0.00 176.54 177.82 1pk7 n ASP 236 N -4.67 0.20 0.00 0.19 10.43 0.10 -5.08 116.55 117.71 1pk7 n ASP 236 Ca 0.19 0.56 0.00 0.00 2.57 0.00 0.00 54.79 58.12 1pk7 n ASP 236 Cb 0.40 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 42.76 1pk7 n ASP 236 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42