#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 0.55 0.45 0.00 2.01 0.46 -4.98 115.64 114.13 1pk7 s THR 2 Ca 0.00 -1.71 0.23 0.00 0.31 0.00 0.00 61.69 60.51 1pk7 s THR 2 Cb 0.00 -1.40 0.42 0.00 0.01 0.00 0.00 72.50 71.54 1pk7 s THR 2 CO 0.00 -0.79 1.82 -0.65 -0.69 0.00 0.00 174.62 174.31 1pk7 h PRO 3 N 3.35 0.27 -0.00 4.92 0.11 -2.02 -2.78 132.00 135.85 1pk7 h PRO 3 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pk7 h PRO 3 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pk7 h PRO 3 CO 0.60 0.18 -0.22 0.72 -0.21 0.00 0.00 178.00 179.06 1pk7 n HIS 4 N -4.47 0.00 -3.90 0.65 8.25 -1.26 -4.95 115.22 109.54 1pk7 n HIS 4 Ca 0.22 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.40 1pk7 n HIS 4 Cb 0.88 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.82 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 -1.37 1.12 -1.13 1.59 1.01 -1.05 -4.63 121.20 116.74 1pk7 s ILE 5 Ca 0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1pk7 s ILE 5 Cb 0.04 -1.24 0.27 0.00 0.01 0.00 0.00 42.46 41.54 1pk7 s ILE 5 CO 0.21 0.21 1.28 -3.20 0.00 0.00 0.00 174.94 173.43 1pk7 n ASN 6 N 4.88 5.70 -2.24 3.58 5.15 -1.26 -0.41 115.26 130.67 1pk7 n ASN 6 Ca -0.12 -3.13 -0.10 0.00 -0.60 0.00 0.00 54.58 50.63 1pk7 n ASN 6 Cb 0.48 -1.38 -0.03 0.00 -0.53 0.00 0.00 39.78 38.33 1pk7 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pk7 n ALA 7 N 2.73 -0.04 -2.38 5.20 0.00 -1.26 -4.66 120.51 120.10 1pk7 n ALA 7 Ca 0.27 -1.03 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 1pk7 n ALA 7 Cb 0.38 0.83 -0.10 0.00 0.00 0.00 0.00 19.45 20.55 1pk7 n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1pk7 s GLU 8 N -2.57 0.95 -0.14 0.00 0.41 -1.26 -3.08 118.70 113.01 1pk7 s GLU 8 Ca 0.19 -1.29 -0.38 0.00 -0.41 0.00 0.00 54.97 53.08 1pk7 s GLU 8 Cb -0.00 -0.60 -0.15 0.00 -1.78 0.00 0.00 34.13 31.60 1pk7 s GLU 8 CO 0.14 0.09 1.66 -0.12 -0.49 0.00 0.00 175.26 176.53 1pk7 n MET 9 N 0.24 1.34 0.00 1.61 0.00 -1.26 -0.72 117.12 118.33 1pk7 n MET 9 Ca -0.14 0.49 0.00 0.00 0.00 0.00 0.00 57.70 58.05 1pk7 n MET 9 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.62 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 3.78 1.39 0.30 -5.12 0.00 -1.26 -4.95 105.19 99.33 1pk7 n GLY 10 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 1.16 0.47 -2.51 1.61 3.45 -1.31 -3.43 116.42 115.85 1pk7 h ASP 11 Ca 0.00 -0.02 -0.54 0.00 0.43 0.00 0.00 57.03 56.90 1pk7 h ASP 11 Cb 0.00 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.60 1pk7 h ASP 11 CO 0.00 0.36 -0.52 -0.36 -1.57 0.00 0.00 179.24 177.15 1pk7 s PHE 12 N -5.44 3.23 0.83 4.55 0.40 -1.26 -4.69 117.98 115.60 1pk7 s PHE 12 Ca -0.08 -0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 1pk7 s PHE 12 Cb 0.17 -1.52 0.11 0.00 0.51 0.00 0.00 43.02 42.29 1pk7 s PHE 12 CO 0.73 0.51 1.19 0.00 0.70 0.00 0.00 175.22 178.36 1pk7 s ALA 13 N -1.86 2.63 -2.02 5.36 0.00 -1.26 -4.92 121.76 119.70 1pk7 s ALA 13 Ca 0.32 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.64 1pk7 s ALA 13 Cb -0.10 -2.86 1.10 0.00 0.00 0.00 0.00 23.12 21.27 1pk7 s ALA 13 CO 0.25 -1.80 1.71 -0.40 0.00 0.00 0.00 175.76 175.52 1pk7 n ASP 14 N -3.37 0.10 -3.97 0.00 5.75 -1.26 -4.61 116.55 109.20 1pk7 n ASP 14 Ca 0.10 -1.43 -0.22 0.00 -0.01 0.00 0.00 54.79 53.23 1pk7 n ASP 14 Cb 0.61 -0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.53 1pk7 n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pk7 s VAL 15 N -1.99 0.83 -0.09 2.12 1.01 -1.26 -1.43 120.40 119.58 1pk7 s VAL 15 Ca 0.28 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1pk7 s VAL 15 Cb 0.13 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1pk7 s VAL 15 CO 0.22 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 1pk7 s VAL 16 N 0.68 1.03 -0.09 2.92 1.01 -0.75 -2.63 120.40 122.57 1pk7 s VAL 16 Ca -0.12 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1pk7 s VAL 16 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1pk7 s VAL 16 CO 0.02 0.35 0.47 -0.76 0.00 0.00 0.00 175.10 175.18 1pk7 s LEU 17 N 1.23 4.32 -0.24 3.92 1.02 -0.44 -1.64 118.68 126.85 1pk7 s LEU 17 Ca -0.04 0.86 -0.00 0.00 0.02 0.00 0.00 54.13 54.96 1pk7 s LEU 17 Cb -0.14 -2.68 0.07 0.00 0.02 0.00 0.00 46.19 43.45 1pk7 s LEU 17 CO -0.03 0.07 0.00 -0.04 0.02 0.00 0.00 176.35 176.37 1pk7 s MET 18 N 0.27 1.17 0.45 1.70 -1.94 -0.45 -0.72 119.30 119.78 1pk7 s MET 18 Ca 0.26 -0.88 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1pk7 s MET 18 Cb -0.16 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1pk7 s MET 18 CO 0.11 -0.70 0.72 -1.25 -0.01 0.00 0.00 175.02 173.89 1pk7 s PRO 19 N 1.55 3.39 0.17 2.03 0.04 -1.23 -2.46 135.00 138.49 1pk7 s PRO 19 Ca -0.01 -0.06 -0.04 0.00 0.04 0.00 0.00 61.00 60.93 1pk7 s PRO 19 Cb -0.18 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1pk7 s PRO 19 CO -0.10 -0.17 1.45 0.78 0.04 0.00 0.00 177.00 178.99 1pk7 h GLY 20 N 0.35 0.61 -5.51 0.56 0.00 -1.86 -1.41 103.07 95.80 1pk7 h GLY 20 Ca -0.47 -0.78 -0.58 0.00 0.00 0.00 0.00 47.33 45.49 1pk7 h GLY 20 CO 0.61 0.70 -0.16 -0.35 0.00 0.00 0.00 176.54 177.33 1pk7 s ASP 21 N -6.97 6.67 0.25 0.19 2.15 -1.26 -1.89 116.67 115.81 1pk7 s ASP 21 Ca -0.07 0.79 -0.04 0.00 0.43 0.00 0.00 52.55 53.66 1pk7 s ASP 21 Cb 0.11 -2.27 0.29 0.00 -0.30 0.00 0.00 42.92 40.74 1pk7 s ASP 21 CO 0.85 0.04 1.78 -0.65 -0.17 0.00 0.00 175.17 177.03 1pk7 h PRO 22 N 6.55 0.95 0.00 4.34 0.11 -1.87 -1.92 132.00 140.16 1pk7 h PRO 22 Ca -0.42 -0.21 -0.04 0.00 0.11 0.00 0.00 66.00 65.44 1pk7 h PRO 22 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1pk7 h PRO 22 CO 0.74 0.85 -0.20 -0.07 -0.21 0.00 0.00 178.00 179.11 1pk7 h LEU 23 N 0.91 0.00 -0.06 2.35 3.38 -1.94 -1.17 115.31 118.78 1pk7 h LEU 23 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1pk7 h LEU 23 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1pk7 h LEU 23 CO -0.00 0.20 -0.30 -0.09 0.09 0.00 0.00 178.44 178.34 1pk7 h ARG 24 N 0.00 0.00 0.00 1.13 9.65 -1.78 -2.61 114.38 120.77 1pk7 h ARG 24 Ca -0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1pk7 h ARG 24 Cb 0.44 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1pk7 h ARG 24 CO 0.03 0.30 -0.56 0.00 2.80 0.00 0.00 179.97 182.54 1pk7 h ALA 25 N 1.70 0.78 0.07 2.80 0.00 -0.71 -2.61 119.26 121.29 1pk7 h ALA 25 Ca -0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1pk7 h ALA 25 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pk7 h ALA 25 CO 0.04 0.70 -1.10 -0.22 0.00 0.00 0.00 179.25 178.67 1pk7 h LYS 26 N 0.00 0.29 -0.45 0.00 3.64 -1.36 -2.86 116.57 115.83 1pk7 h LYS 26 Ca -0.01 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1pk7 h LYS 26 Cb 1.22 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1pk7 h LYS 26 CO 0.07 1.15 0.07 -0.92 -2.27 0.00 0.00 179.45 177.55 1pk7 h TYR 27 N 0.12 0.71 -0.13 1.91 5.03 -1.35 -1.43 116.97 121.81 1pk7 h TYR 27 Ca -0.10 -0.07 -0.15 0.00 2.58 0.00 0.00 58.73 60.99 1pk7 h TYR 27 Cb 1.80 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 39.87 1pk7 h TYR 27 CO 0.06 0.63 -0.52 0.82 -1.32 0.00 0.00 178.16 177.83 1pk7 h ILE 28 N 0.66 1.35 -0.43 1.81 2.04 -1.48 -1.80 117.51 119.65 1pk7 h ILE 28 Ca 0.14 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 1pk7 h ILE 28 Cb 0.30 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1pk7 h ILE 28 CO 0.00 0.55 0.05 0.00 0.00 0.00 0.00 178.15 178.75 1pk7 h ALA 29 N 0.51 1.28 -0.15 1.87 0.00 -1.36 -1.12 119.26 120.29 1pk7 h ALA 29 Ca -0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1pk7 h ALA 29 Cb 1.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pk7 h ALA 29 CO 0.11 0.49 -0.18 0.93 0.00 0.00 0.00 179.25 180.60 1pk7 h GLU 30 N 0.65 0.38 0.11 0.00 4.39 -1.23 -2.74 114.58 116.13 1pk7 h GLU 30 Ca 0.14 -0.21 -0.27 0.00 0.34 0.00 0.00 59.36 59.35 1pk7 h GLU 30 Cb 0.33 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1pk7 h GLU 30 CO 0.01 0.78 -1.20 1.15 -1.16 0.00 0.00 179.01 178.59 1pk7 h THR 31 N -0.00 1.42 0.00 1.13 2.02 -1.24 -3.41 112.91 112.84 1pk7 h THR 31 Ca 0.02 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.40 1pk7 h THR 31 Cb 0.73 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1pk7 h THR 31 CO 0.04 0.83 -0.64 0.49 0.37 0.00 0.00 175.52 176.61 1pk7 n PHE 32 N -3.64 0.00 -4.00 3.16 3.01 -0.43 -5.05 117.46 110.51 1pk7 n PHE 32 Ca -0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.02 1pk7 n PHE 32 Cb 0.98 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 40.35 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 -2.69 4.16 -0.11 4.37 1.43 -1.03 -4.70 118.68 120.11 1pk7 s LEU 33 Ca 0.00 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1pk7 s LEU 33 Cb 0.03 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1pk7 s LEU 33 CO 0.16 0.33 0.28 -1.61 0.23 0.00 0.00 176.35 175.74 1pk7 s GLU 34 N -1.46 3.98 -1.21 1.70 8.01 0.55 -4.48 118.70 125.78 1pk7 s GLU 34 Ca 0.20 0.10 -0.03 0.00 0.01 0.00 0.00 54.97 55.26 1pk7 s GLU 34 Cb -0.12 -3.32 -0.01 0.00 -4.31 0.00 0.00 34.13 26.37 1pk7 s GLU 34 CO 0.11 0.48 0.84 -0.25 0.01 0.00 0.00 175.26 176.45 1pk7 n ASP 35 N 2.76 -2.87 -4.71 -0.19 8.00 -1.26 -1.75 116.55 116.53 1pk7 n ASP 35 Ca -0.15 -0.76 -0.40 0.00 0.71 0.00 0.00 54.79 54.19 1pk7 n ASP 35 Cb 0.53 -4.51 -0.04 0.00 -0.02 0.00 0.00 41.12 37.07 1pk7 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pk7 s ALA 36 N -3.51 3.31 -0.00 2.24 0.00 -1.26 -4.42 121.76 118.12 1pk7 s ALA 36 Ca 0.14 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.39 1pk7 s ALA 36 Cb -0.03 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1pk7 s ALA 36 CO 0.78 -0.17 -0.25 -0.98 0.00 0.00 0.00 175.76 175.14 1pk7 s ARG 37 N 0.93 2.04 -0.13 0.00 1.70 0.38 -4.91 118.95 118.96 1pk7 s ARG 37 Ca 0.41 -0.97 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1pk7 s ARG 37 Cb -0.18 -2.04 -0.02 0.00 -0.57 0.00 0.00 34.95 32.14 1pk7 s ARG 37 CO 0.20 0.55 1.21 -2.00 -1.08 0.00 0.00 175.30 174.17 1pk7 s GLU 38 N -0.80 4.28 0.00 3.89 2.12 -1.26 -1.31 118.70 125.63 1pk7 s GLU 38 Ca 0.11 1.62 0.14 0.00 0.36 0.00 0.00 54.97 57.20 1pk7 s GLU 38 Cb -0.10 -3.67 0.12 0.00 0.26 0.00 0.00 34.13 30.74 1pk7 s GLU 38 CO 0.00 -0.59 0.96 1.33 -0.54 0.00 0.00 175.26 176.42 1pk7 n VAL 39 N 5.08 0.02 -3.58 3.70 0.24 0.86 -4.97 118.33 119.68 1pk7 n VAL 39 Ca 0.12 -0.51 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 1pk7 n VAL 39 Cb 0.46 1.29 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 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 -1.20 -0.42 0.00 -1.34 3.84 -1.21 -4.32 114.94 110.29 1pk7 s ASN 40 Ca 0.17 0.54 0.00 0.00 0.21 0.00 0.00 52.86 53.78 1pk7 s ASN 40 Cb 0.12 0.45 0.00 0.00 -0.55 0.00 0.00 41.25 41.27 1pk7 s ASN 40 CO 0.18 -0.33 0.56 -0.46 -2.79 0.00 0.00 177.10 174.26 1pk7 n ASN 41 N 1.05 0.00 -4.70 -4.21 6.94 -1.26 -2.12 115.26 110.96 1pk7 n ASN 41 Ca -0.12 -1.20 -0.42 0.00 -0.02 0.00 0.00 54.58 52.82 1pk7 n ASN 41 Cb 0.57 -0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 1pk7 n ASN 41 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1pk7 s VAL 42 N 0.00 2.99 -0.75 3.53 1.01 -1.26 -1.59 120.40 124.34 1pk7 s VAL 42 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1pk7 s VAL 42 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1pk7 s VAL 42 CO 0.00 0.02 0.00 0.54 0.00 0.00 0.00 175.10 175.66 1pk7 n ARG 43 N 4.83 -1.24 -1.03 2.72 1.74 -1.26 -2.15 116.66 120.27 1pk7 n ARG 43 Ca 0.14 0.67 -0.01 0.00 -0.77 0.00 0.00 57.85 57.88 1pk7 n ARG 43 Cb 0.40 -4.77 -0.00 0.00 -1.02 0.00 0.00 32.46 27.07 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 -0.62 0.49 3.20 -0.13 0.00 -0.62 -4.96 105.19 102.56 1pk7 n GLY 44 Ca -0.07 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1pk7 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pk7 n MET 45 N -2.61 3.53 -1.58 1.61 0.00 -0.91 -4.82 117.12 112.34 1pk7 n MET 45 Ca -0.01 -3.78 -0.49 0.00 0.00 0.00 0.00 57.70 53.41 1pk7 n MET 45 Cb 0.08 -2.95 -0.04 0.00 0.00 0.00 0.00 33.22 30.31 1pk7 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pk7 n LEU 46 N 4.60 1.61 -4.00 -0.89 4.77 -1.26 -4.42 117.00 117.41 1pk7 n LEU 46 Ca 0.37 1.14 -0.19 0.00 -0.03 0.00 0.00 56.01 57.30 1pk7 n LEU 46 Cb 0.40 -1.22 -0.15 0.00 -2.33 0.00 0.00 43.42 40.12 1pk7 n LEU 46 CO 0.70 -1.21 -0.43 -0.83 -1.33 0.00 0.00 177.39 174.29 1pk7 s GLY 47 N 0.12 0.44 0.09 -0.72 0.00 -0.90 -2.90 107.32 103.45 1pk7 s GLY 47 Ca 0.76 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.17 1pk7 s GLY 47 CO 0.51 -0.22 -0.10 -1.36 0.00 0.00 0.00 173.10 171.93 1pk7 s PHE 48 N -0.06 1.03 -0.01 1.90 0.08 0.50 -0.10 117.98 121.32 1pk7 s PHE 48 Ca 0.01 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.43 1pk7 s PHE 48 Cb -0.05 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.83 1pk7 s PHE 48 CO -0.00 -0.01 -0.07 0.99 -0.10 0.00 0.00 175.22 176.02 1pk7 s THR 49 N -2.42 0.62 0.00 0.64 2.01 -0.42 -1.02 115.64 115.04 1pk7 s THR 49 Ca 0.05 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1pk7 s THR 49 Cb -0.03 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1pk7 s THR 49 CO -0.00 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1pk7 n GLY 50 N 3.06 2.09 3.03 4.40 0.00 -0.24 -0.47 105.19 117.05 1pk7 n GLY 50 Ca -0.15 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.43 0.38 -0.15 2.61 -4.23 -0.72 -0.14 115.64 110.96 1pk7 s THR 51 Ca 0.00 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1pk7 s THR 51 Cb 0.00 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.35 1pk7 s THR 51 CO 0.00 -0.44 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.01 1pk7 s TYR 52 N -1.48 2.30 -1.53 3.99 6.14 0.81 -0.33 117.35 127.24 1pk7 s TYR 52 Ca -0.12 -1.31 -0.07 0.00 0.64 0.00 0.00 57.07 56.21 1pk7 s TYR 52 Cb -0.09 -1.67 0.06 0.00 0.42 0.00 0.00 41.96 40.68 1pk7 s TYR 52 CO -0.00 -0.70 0.55 1.63 0.64 0.00 0.00 175.55 177.66 1pk7 n LYS 53 N 4.73 -3.16 -0.25 4.97 5.02 -1.26 -0.50 118.16 127.70 1pk7 n LYS 53 Ca -0.18 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1pk7 n LYS 53 Cb 0.50 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 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 -1.80 2.37 3.74 0.72 0.00 -1.26 -5.02 105.19 103.94 1pk7 n GLY 54 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.04 4.20 -0.24 1.61 3.00 0.34 -5.01 118.95 122.81 1pk7 s ARG 55 Ca 0.00 0.19 -0.29 0.00 -1.00 0.00 0.00 55.73 54.63 1pk7 s ARG 55 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 34.95 31.54 1pk7 s ARG 55 CO 0.00 0.29 1.50 0.21 0.00 0.00 0.00 175.30 177.31 1pk7 s LYS 56 N 0.27 3.86 0.09 5.12 2.20 -1.26 -0.14 119.74 129.88 1pk7 s LYS 56 Ca 0.19 1.54 0.06 0.00 -0.36 0.00 0.00 55.97 57.39 1pk7 s LYS 56 Cb -0.14 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1pk7 s LYS 56 CO 0.06 -1.21 -0.15 0.42 -0.36 0.00 0.00 175.35 174.12 1pk7 s ILE 57 N 4.84 1.24 0.23 5.43 -1.09 0.80 -4.62 121.20 128.03 1pk7 s ILE 57 Ca 0.66 -1.50 0.09 0.00 -2.23 0.00 0.00 60.65 57.67 1pk7 s ILE 57 Cb -0.22 -1.31 -0.05 0.00 -1.58 0.00 0.00 42.46 39.30 1pk7 s ILE 57 CO 0.27 -0.30 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.09 1pk7 s SER 58 N -2.06 2.88 -0.11 3.58 0.01 -1.08 -1.08 113.70 115.84 1pk7 s SER 58 Ca 0.03 -1.04 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 1pk7 s SER 58 Cb -0.08 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.01 1pk7 s SER 58 CO 0.03 -0.13 0.26 0.54 0.41 0.00 0.00 173.24 174.34 1pk7 s VAL 59 N -2.85 -0.03 -0.18 3.43 0.11 -0.19 -1.33 120.40 119.36 1pk7 s VAL 59 Ca 0.25 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 1pk7 s VAL 59 Cb -0.01 -0.40 0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1pk7 s VAL 59 CO 0.10 0.05 0.48 -0.32 -3.33 0.00 0.00 175.10 172.08 1pk7 s MET 60 N 1.15 0.55 0.84 1.54 0.00 0.10 -0.37 119.30 123.11 1pk7 s MET 60 Ca -0.08 0.69 -0.11 0.00 0.00 0.00 0.00 55.69 56.19 1pk7 s MET 60 Cb -0.09 0.25 0.10 0.00 0.00 0.00 0.00 34.83 35.09 1pk7 s MET 60 CO -0.08 -0.08 1.10 0.20 0.00 0.00 0.00 175.02 176.17 1pk7 s GLY 61 N 0.36 1.66 0.00 2.11 0.00 -1.14 -3.51 107.32 106.81 1pk7 s GLY 61 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1pk7 s GLY 61 CO -0.01 0.66 0.57 -2.39 0.00 0.00 0.00 173.10 171.94 1pk7 n HIS 62 N -3.81 0.00 -0.60 1.90 1.44 -0.53 -4.87 115.22 108.75 1pk7 n HIS 62 Ca 0.09 -0.16 0.08 0.00 -2.01 0.00 0.00 57.72 55.71 1pk7 n HIS 62 Cb 0.53 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.16 -2.12 3.75 -1.39 0.00 -0.79 -2.57 105.19 101.92 1pk7 n GLY 63 Ca 0.00 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.35 4.33 0.00 1.61 1.00 -1.26 -4.55 119.30 118.08 1pk7 s MET 64 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 55.69 56.41 1pk7 s MET 64 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 34.83 31.46 1pk7 s MET 64 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 175.02 175.73 1pk7 n GLY 65 N 2.63 0.96 0.26 -0.03 0.00 -1.26 -4.46 105.19 103.30 1pk7 n GLY 65 Ca -0.06 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 0.96 -0.60 -0.61 2.04 -1.82 -1.70 117.51 115.79 1pk7 h ILE 66 Ca 0.00 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1pk7 h ILE 66 Cb 0.00 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1pk7 h ILE 66 CO 0.00 0.13 0.40 -0.65 0.00 0.00 0.00 178.15 178.02 1pk7 h PRO 67 N 0.70 0.79 0.30 2.37 0.11 -1.91 -1.23 132.00 133.13 1pk7 h PRO 67 Ca 0.31 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1pk7 h PRO 67 Cb 0.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1pk7 h PRO 67 CO -0.19 0.52 -0.14 1.03 -0.21 0.00 0.00 178.00 179.01 1pk7 h SER 68 N 0.81 -0.34 0.33 -2.05 0.87 -1.62 -3.19 113.55 108.36 1pk7 h SER 68 Ca 0.22 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1pk7 h SER 68 Cb -0.09 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1pk7 h SER 68 CO -0.05 0.13 -0.12 0.00 -0.53 0.00 0.00 176.83 176.27 1pk7 h SER 70 N 0.00 0.64 -0.34 0.00 0.02 -1.30 -1.54 113.55 111.04 1pk7 h SER 70 Ca -0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1pk7 h SER 70 Cb 0.32 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1pk7 h SER 70 CO 0.02 0.65 0.22 0.40 -1.14 0.00 0.00 176.83 176.97 1pk7 h ILE 71 N 0.59 1.09 -0.06 3.27 2.04 -1.48 -2.34 117.51 120.63 1pk7 h ILE 71 Ca 0.15 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1pk7 h ILE 71 Cb 0.22 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1pk7 h ILE 71 CO -0.01 0.09 -0.05 1.88 0.00 0.00 0.00 178.15 180.07 1pk7 h TYR 72 N 0.45 0.15 -0.50 1.37 0.05 -1.53 -2.12 116.97 114.84 1pk7 h TYR 72 Ca 0.12 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1pk7 h TYR 72 Cb -0.04 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1pk7 h TYR 72 CO -0.05 0.56 0.25 1.79 -1.05 0.00 0.00 178.16 179.66 1pk7 h THR 73 N -0.30 1.17 -0.36 -2.88 1.35 -1.33 -1.61 112.91 108.95 1pk7 h THR 73 Ca 0.01 -0.46 -0.06 0.00 -0.55 0.00 0.00 66.41 65.35 1pk7 h THR 73 Cb 0.53 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1pk7 h THR 73 CO 0.01 0.19 -0.01 0.50 -0.25 0.00 0.00 175.52 175.96 1pk7 h LYS 74 N 0.70 0.64 -0.04 4.72 1.63 -1.40 -1.89 116.57 120.93 1pk7 h LYS 74 Ca 0.18 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 1pk7 h LYS 74 Cb 0.06 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1pk7 h LYS 74 CO -0.03 0.76 -0.38 0.93 -3.45 0.00 0.00 179.45 177.28 1pk7 h GLU 75 N 0.45 0.07 -0.04 1.90 5.08 -1.01 -1.95 114.58 119.08 1pk7 h GLU 75 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1pk7 h GLU 75 Cb 0.48 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1pk7 h GLU 75 CO 0.02 0.45 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.21 1pk7 h LEU 76 N 0.06 0.25 -0.54 1.33 3.38 -1.18 -0.58 115.31 118.02 1pk7 h LEU 76 Ca 0.00 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 1pk7 h LEU 76 Cb 0.71 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1pk7 h LEU 76 CO 0.05 0.86 0.12 0.40 0.09 0.00 0.00 178.44 179.96 1pk7 h ILE 77 N -0.35 1.25 -0.01 1.22 2.04 -1.32 -1.44 117.51 118.90 1pk7 h ILE 77 Ca -0.01 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1pk7 h ILE 77 Cb 0.85 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1pk7 h ILE 77 CO 0.04 0.33 -0.51 0.35 0.00 0.00 0.00 178.15 178.36 1pk7 n THR 78 N -4.40 0.00 0.00 -0.27 -2.24 -0.74 -4.10 114.28 102.54 1pk7 n THR 78 Ca 0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1pk7 n THR 78 Cb 0.24 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1pk7 n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pk7 n ASP 79 N -0.24 0.98 -0.27 3.42 9.92 -0.23 -4.80 116.55 125.33 1pk7 n ASP 79 Ca 0.09 -0.17 0.06 0.00 -0.53 0.00 0.00 54.79 54.24 1pk7 n ASP 79 Cb 0.44 0.53 0.09 0.00 -0.64 0.00 0.00 41.12 41.54 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 -0.63 0.00 -1.53 1.24 3.01 -0.60 -4.65 117.46 114.30 1pk7 n PHE 80 Ca 0.00 -0.62 -0.18 0.00 1.01 0.00 0.00 57.45 57.66 1pk7 n PHE 80 Cb 0.00 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.86 1.63 3.75 1.37 0.00 -1.06 -4.73 105.19 105.28 1pk7 n GLY 81 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.50 2.69 -0.09 1.61 1.01 -0.84 -4.82 120.40 117.46 1pk7 s VAL 82 Ca 0.00 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1pk7 s VAL 82 Cb 0.00 -3.39 -0.15 0.00 0.00 0.00 0.00 36.38 32.85 1pk7 s VAL 82 CO 0.00 0.11 0.08 0.29 0.00 0.00 0.00 175.10 175.58 1pk7 n LYS 83 N 2.00 1.81 -4.51 2.72 5.02 -0.52 -4.40 118.16 120.28 1pk7 n LYS 83 Ca 0.05 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 1pk7 n LYS 83 Cb 0.41 -1.29 -0.14 0.00 -0.02 0.00 0.00 35.03 33.99 1pk7 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pk7 s LYS 84 N -2.38 1.09 -0.06 1.97 1.02 -0.87 -0.85 119.74 119.65 1pk7 s LYS 84 Ca -0.05 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 1pk7 s LYS 84 Cb 0.04 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 1pk7 s LYS 84 CO 0.47 0.28 -0.01 0.42 -0.92 0.00 0.00 175.35 175.59 1pk7 s ILE 85 N -0.65 0.41 -0.32 2.17 1.01 -0.12 -1.81 121.20 121.89 1pk7 s ILE 85 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1pk7 s ILE 85 Cb -0.07 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 41.93 1pk7 s ILE 85 CO 0.01 0.25 0.03 -0.63 0.00 0.00 0.00 174.94 174.59 1pk7 s ILE 86 N 1.69 2.82 -0.11 2.92 1.01 -0.65 -0.74 121.20 128.13 1pk7 s ILE 86 Ca 0.01 -1.67 -0.28 0.00 0.00 0.00 0.00 60.65 58.70 1pk7 s ILE 86 Cb -0.13 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1pk7 s ILE 86 CO -0.04 -0.27 0.95 -0.60 0.00 0.00 0.00 174.94 174.99 1pk7 s ARG 87 N 1.16 4.40 -0.35 2.79 3.52 0.10 -1.33 118.95 129.24 1pk7 s ARG 87 Ca -0.01 1.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.88 1pk7 s ARG 87 Cb -0.20 -3.54 0.10 0.00 -1.56 0.00 0.00 34.95 29.74 1pk7 s ARG 87 CO -0.03 -0.28 0.09 0.14 -0.81 0.00 0.00 175.30 174.40 1pk7 s VAL 88 N 1.92 2.68 0.00 7.11 -7.23 -1.03 -0.62 120.40 123.23 1pk7 s VAL 88 Ca 0.46 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1pk7 s VAL 88 Cb -0.18 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1pk7 s VAL 88 CO 0.17 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 1pk7 n GLY 89 N 4.42 5.57 3.35 2.32 0.00 -0.76 -4.22 105.19 115.86 1pk7 n GLY 89 Ca -0.01 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1pk7 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pk7 s SER 90 N 1.00 3.10 0.11 1.61 0.15 -1.26 -2.49 113.70 115.92 1pk7 s SER 90 Ca 0.00 -0.66 -0.06 0.00 0.70 0.00 0.00 55.95 55.93 1pk7 s SER 90 Cb 0.00 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1pk7 s SER 90 CO 0.00 0.20 0.15 0.00 1.20 0.00 0.00 173.24 174.78 1pk7 s GLY 92 N -2.93 2.22 0.20 0.00 0.00 -0.51 0.34 107.32 106.64 1pk7 s GLY 92 Ca 0.12 -0.63 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1pk7 s GLY 92 CO -0.06 -0.43 0.70 0.00 0.00 0.00 0.00 173.10 173.30 1pk7 s ALA 93 N -1.22 3.44 0.00 3.20 0.00 0.13 -1.21 121.76 126.10 1pk7 s ALA 93 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1pk7 s ALA 93 Cb -0.13 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1pk7 s ALA 93 CO 0.13 0.35 0.00 1.33 0.00 0.00 0.00 175.76 177.57 1pk7 n VAL 94 N 0.81 0.00 -2.93 0.00 0.24 -1.26 -0.50 118.33 114.68 1pk7 n VAL 94 Ca -0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 1pk7 n VAL 94 Cb 0.51 -0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 1pk7 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pk7 s LEU 95 N -4.84 4.48 0.27 1.34 1.43 -1.26 -4.79 118.68 115.31 1pk7 s LEU 95 Ca 0.00 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1pk7 s LEU 95 Cb 0.00 -3.31 0.36 0.00 0.03 0.00 0.00 46.19 43.27 1pk7 s LEU 95 CO 0.00 0.03 1.94 1.55 0.23 0.00 0.00 176.35 180.09 1pk7 h PRO 96 N 5.46 1.20 -0.46 1.29 0.13 -1.98 -2.14 132.00 135.51 1pk7 h PRO 96 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pk7 h PRO 96 Cb 1.21 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1pk7 h PRO 96 CO 0.70 0.79 0.00 -2.39 -0.23 0.00 0.00 178.00 176.88 1pk7 n HIS 97 N -4.41 0.00 -3.93 1.56 1.44 -1.26 -4.56 115.22 104.06 1pk7 n HIS 97 Ca 0.12 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.48 1pk7 n HIS 97 Cb 0.05 -0.05 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 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 -1.43 3.16 0.28 0.61 1.01 -0.81 -5.11 120.40 118.11 1pk7 s VAL 98 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1pk7 s VAL 98 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1pk7 s VAL 98 CO 0.00 0.38 0.25 -0.54 0.00 0.00 0.00 175.10 175.19 1pk7 s LYS 99 N 1.43 2.92 0.52 2.72 3.01 -1.26 -4.88 119.74 124.20 1pk7 s LYS 99 Ca 0.05 -1.09 -0.21 0.00 -1.01 0.00 0.00 55.97 53.70 1pk7 s LYS 99 Cb -0.15 -2.58 -0.07 0.00 -1.01 0.00 0.00 37.83 34.02 1pk7 s LYS 99 CO -0.04 0.31 1.03 1.28 0.51 0.00 0.00 175.35 178.43 1pk7 n LEU 100 N -1.27 3.41 -3.20 3.17 4.77 -1.26 -2.66 117.00 119.95 1pk7 n LEU 100 Ca -0.06 0.92 -0.20 0.00 -0.03 0.00 0.00 56.01 56.64 1pk7 n LEU 100 Cb 0.58 -1.40 0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1pk7 n LEU 100 CO 0.43 -1.55 0.19 0.54 -1.33 0.00 0.00 177.39 175.67 1pk7 n ARG 101 N -0.49 -6.76 -4.43 3.23 1.74 -1.15 -4.95 116.66 103.84 1pk7 n ARG 101 Ca 0.11 0.73 -0.34 0.00 -0.77 0.00 0.00 57.85 57.58 1pk7 n ARG 101 Cb 0.44 -5.47 -0.11 0.00 -1.02 0.00 0.00 32.46 26.29 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 -3.49 4.94 -0.27 0.55 -0.00 -1.09 -4.90 116.67 112.42 1pk7 s ASP 102 Ca 0.40 -0.00 -0.21 0.00 -0.00 0.00 0.00 52.55 52.74 1pk7 s ASP 102 Cb -0.18 -1.54 -0.02 0.00 -0.00 0.00 0.00 42.92 41.19 1pk7 s ASP 102 CO 0.64 0.28 0.64 -0.69 -0.00 0.00 0.00 175.17 176.05 1pk7 s VAL 103 N -0.33 4.96 -0.01 -1.27 1.01 -1.26 -2.42 120.40 121.08 1pk7 s VAL 103 Ca 0.06 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.16 1pk7 s VAL 103 Cb -0.12 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1pk7 s VAL 103 CO 0.02 -0.02 -0.11 0.68 0.00 0.00 0.00 175.10 175.67 1pk7 s VAL 104 N 2.55 3.34 -0.17 2.92 -7.23 0.10 -1.56 120.40 120.34 1pk7 s VAL 104 Ca 0.26 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1pk7 s VAL 104 Cb -0.15 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1pk7 s VAL 104 CO 0.09 0.47 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.53 1pk7 s ILE 105 N -0.88 2.17 -0.76 -0.62 1.01 0.92 -0.51 121.20 122.52 1pk7 s ILE 105 Ca 0.14 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 1pk7 s ILE 105 Cb -0.11 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.52 1pk7 s ILE 105 CO 0.04 0.53 1.16 -0.83 0.00 0.00 0.00 174.94 175.84 1pk7 s GLY 106 N 1.17 1.24 0.34 6.18 0.00 -0.62 -2.09 107.32 113.55 1pk7 s GLY 106 Ca 0.02 -1.82 0.10 0.00 0.00 0.00 0.00 44.72 43.02 1pk7 s GLY 106 CO -0.09 2.35 1.78 1.98 0.00 0.00 0.00 173.10 179.12 1pk7 h MET 107 N 9.69 0.11 -4.51 2.90 4.05 -1.58 -3.40 114.93 122.18 1pk7 h MET 107 Ca -0.17 -0.04 -0.25 0.00 -0.28 0.00 0.00 59.70 58.95 1pk7 h MET 107 Cb 1.05 -0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.71 1pk7 h MET 107 CO 1.24 0.47 -0.53 0.20 0.23 0.00 0.00 176.91 178.52 1pk7 s GLY 108 N -4.25 1.47 -0.19 1.39 0.00 -1.21 -1.47 107.32 103.05 1pk7 s GLY 108 Ca -0.04 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 42.97 1pk7 s GLY 108 CO 0.74 -1.31 0.39 0.00 0.00 0.00 0.00 173.10 172.92 1pk7 s ALA 109 N -4.00 -1.05 0.69 3.20 0.00 -0.51 -2.46 121.76 117.63 1pk7 s ALA 109 Ca 0.37 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.57 1pk7 s ALA 109 Cb 0.05 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1pk7 s ALA 109 CO 0.14 -0.80 1.06 0.00 0.00 0.00 0.00 175.76 176.16 1pk7 s THR 111 N -3.29 0.01 -1.17 0.00 -1.32 -1.26 -0.01 115.64 108.60 1pk7 s THR 111 Ca 0.58 -0.12 0.11 0.00 -1.21 0.00 0.00 61.69 61.05 1pk7 s THR 111 Cb -0.11 -1.03 0.21 0.00 -1.51 0.00 0.00 72.50 70.07 1pk7 s THR 111 CO 0.50 -0.07 1.08 -0.90 -2.21 0.00 0.00 174.62 173.03 1pk7 n ASP 112 N -0.20 2.51 -4.86 8.08 3.85 -1.19 -4.98 116.55 119.76 1pk7 n ASP 112 Ca -0.17 -1.76 -0.29 0.00 -0.71 0.00 0.00 54.79 51.86 1pk7 n ASP 112 Cb 0.64 -0.13 0.10 0.00 -1.35 0.00 0.00 41.12 40.38 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 -0.98 4.20 0.00 -1.12 0.15 -1.26 -4.87 113.70 109.81 1pk7 s SER 113 Ca 0.19 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.72 1pk7 s SER 113 Cb 0.11 -1.38 0.06 0.00 -1.71 0.00 0.00 66.02 63.10 1pk7 s SER 113 CO 0.15 -2.11 0.86 1.17 1.20 0.00 0.00 173.24 174.52 1pk7 n LYS 114 N -3.46 1.35 -0.06 5.44 4.81 -1.26 -4.76 118.16 120.23 1pk7 n LYS 114 Ca 0.07 -1.22 -0.09 0.00 -0.87 0.00 0.00 58.31 56.21 1pk7 n LYS 114 Cb 0.60 -1.07 -0.03 0.00 0.02 0.00 0.00 35.03 34.56 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 0.60 1.03 0.00 3.15 -1.51 -1.99 -2.25 116.25 115.28 1pk7 h VAL 115 Ca 0.00 -0.10 -0.10 0.00 -1.23 0.00 0.00 66.70 65.27 1pk7 h VAL 115 Cb 0.37 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1pk7 h VAL 115 CO 0.00 0.05 -0.48 0.78 -1.23 0.00 0.00 177.57 176.69 1pk7 h ASN 116 N 0.28 0.00 0.41 4.19 2.35 -1.93 -2.27 115.58 118.61 1pk7 h ASN 116 Ca 0.09 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1pk7 h ASN 116 Cb -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1pk7 h ASN 116 CO -0.04 0.48 -0.55 0.03 -1.65 0.00 0.00 177.43 175.70 1pk7 h ARG 117 N 0.00 0.15 -0.41 0.81 3.08 -1.78 0.35 114.38 116.59 1pk7 h ARG 117 Ca -0.00 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1pk7 h ARG 117 Cb 0.92 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1pk7 h ARG 117 CO 0.06 0.66 -0.26 0.82 -1.07 0.00 0.00 179.97 180.18 1pk7 h ILE 118 N 0.12 1.27 0.00 2.04 2.04 -1.05 0.51 117.51 122.43 1pk7 h ILE 118 Ca -0.00 -1.41 -0.18 0.00 1.00 0.00 0.00 64.86 64.27 1pk7 h ILE 118 Cb 1.00 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1pk7 h ILE 118 CO 0.08 0.48 -0.85 0.03 0.00 0.00 0.00 178.15 177.88 1pk7 h ARG 119 N 0.74 0.00 -0.91 2.37 3.08 -1.06 -3.36 114.38 115.25 1pk7 h ARG 119 Ca 0.09 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.55 1pk7 h ARG 119 Cb 0.81 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.56 1pk7 h ARG 119 CO 0.07 0.85 0.50 0.34 -1.07 0.00 0.00 179.97 180.66 1pk7 n PHE 120 N -3.34 2.95 -2.67 3.04 7.35 0.12 -4.91 117.46 119.99 1pk7 n PHE 120 Ca 0.00 -2.57 -0.14 0.00 -0.76 0.00 0.00 57.45 53.99 1pk7 n PHE 120 Cb 0.87 -1.11 -0.00 0.00 0.35 0.00 0.00 39.48 39.59 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 -0.95 -2.62 -1.14 -4.13 5.02 -1.09 -1.73 118.16 111.51 1pk7 n LYS 121 Ca 0.57 0.51 -0.05 0.00 -2.02 0.00 0.00 58.31 57.33 1pk7 n LYS 121 Cb 0.93 -5.13 -0.02 0.00 -0.02 0.00 0.00 35.03 30.79 1pk7 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pk7 n ASP 122 N -1.90 -3.76 -2.56 4.39 2.03 0.18 -5.04 116.55 109.88 1pk7 n ASP 122 Ca -0.10 0.12 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 1pk7 n ASP 122 Cb 0.58 -1.69 0.01 0.00 -0.72 0.00 0.00 41.12 39.30 1pk7 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pk7 n HIS 123 N -2.80 -2.25 -3.19 -0.67 8.25 -0.71 -5.02 115.22 108.84 1pk7 n HIS 123 Ca -0.05 -0.43 -0.41 0.00 -0.26 0.00 0.00 57.72 56.57 1pk7 n HIS 123 Cb 0.19 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 1pk7 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pk7 s ASP 124 N -1.67 6.37 -0.25 0.41 -0.00 -1.26 -4.60 116.67 115.67 1pk7 s ASP 124 Ca 0.10 0.07 -0.10 0.00 -0.00 0.00 0.00 52.55 52.62 1pk7 s ASP 124 Cb -0.01 -2.29 -0.05 0.00 -0.00 0.00 0.00 42.92 40.57 1pk7 s ASP 124 CO 0.06 -0.52 0.15 0.12 -0.00 0.00 0.00 175.17 174.98 1pk7 s PHE 125 N 2.52 3.25 -0.50 4.23 5.36 -1.26 -5.03 117.98 126.55 1pk7 s PHE 125 Ca 0.21 0.09 -0.27 0.00 -0.96 0.00 0.00 56.93 56.01 1pk7 s PHE 125 Cb -0.15 -2.28 0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1pk7 s PHE 125 CO 0.14 -0.05 1.03 0.00 -1.46 0.00 0.00 175.22 174.88 1pk7 s ALA 126 N 1.28 3.16 -0.46 11.12 0.00 -1.26 -4.97 121.76 130.62 1pk7 s ALA 126 Ca 0.07 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1pk7 s ALA 126 Cb -0.14 -3.79 0.02 0.00 0.00 0.00 0.00 23.12 19.21 1pk7 s ALA 126 CO 0.06 -2.26 1.28 0.00 0.00 0.00 0.00 175.76 174.84 1pk7 s ALA 127 N 4.17 3.07 0.19 0.00 0.00 -1.26 -5.00 121.76 122.93 1pk7 s ALA 127 Ca 0.40 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1pk7 s ALA 127 Cb -0.09 -3.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 1pk7 s ALA 127 CO 0.27 -2.40 -0.12 0.96 0.00 0.00 0.00 175.76 174.48 1pk7 s ILE 128 N 5.03 1.48 0.88 0.00 -4.36 -1.26 -1.43 121.20 121.54 1pk7 s ILE 128 Ca 0.54 -2.14 -0.09 0.00 -0.26 0.00 0.00 60.65 58.70 1pk7 s ILE 128 Cb -0.10 -2.01 0.19 0.00 1.25 0.00 0.00 42.46 41.79 1pk7 s ILE 128 CO 0.32 -0.62 1.20 0.00 0.24 0.00 0.00 174.94 176.08 1pk7 s ALA 129 N -3.14 2.89 -0.15 2.27 0.00 -0.54 -4.88 121.76 118.22 1pk7 s ALA 129 Ca 0.21 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 1pk7 s ALA 129 Cb 0.01 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1pk7 s ALA 129 CO 0.05 -2.13 0.89 0.34 0.00 0.00 0.00 175.76 174.90 1pk7 s ASP 130 N -4.89 7.05 0.25 0.00 -1.08 -0.96 -4.95 116.67 112.09 1pk7 s ASP 130 Ca 0.73 1.30 -0.03 0.00 -0.52 0.00 0.00 52.55 54.02 1pk7 s ASP 130 Cb -0.03 -2.49 0.50 0.00 -1.46 0.00 0.00 42.92 39.44 1pk7 s ASP 130 CO 0.50 -0.41 1.72 0.15 0.52 0.00 0.00 175.17 177.65 1pk7 h PHE 131 N 7.23 0.52 -0.62 -5.34 3.57 -1.95 -1.67 116.94 118.67 1pk7 h PHE 131 Ca -0.30 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 1pk7 h PHE 131 Cb 1.14 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1pk7 h PHE 131 CO 0.71 0.04 0.24 -0.44 -2.23 0.00 0.00 178.31 176.63 1pk7 h ASP 132 N 0.43 0.86 -0.89 0.41 3.32 -1.99 -1.34 116.42 117.22 1pk7 h ASP 132 Ca 0.43 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1pk7 h ASP 132 Cb 0.69 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1pk7 h ASP 132 CO -0.43 0.80 0.51 0.24 -1.72 0.00 0.00 179.24 178.65 1pk7 h MET 133 N 0.86 1.22 -0.52 3.56 2.86 -1.74 0.34 114.93 121.51 1pk7 h MET 133 Ca 0.20 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1pk7 h MET 133 Cb 0.22 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1pk7 h MET 133 CO -0.01 0.87 0.19 0.28 1.06 0.00 0.00 176.91 179.30 1pk7 h VAL 134 N 1.23 1.22 -0.31 -2.22 2.07 -0.95 -0.75 116.25 116.54 1pk7 h VAL 134 Ca 0.32 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1pk7 h VAL 134 Cb -0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pk7 h VAL 134 CO -0.06 0.27 -0.08 -0.09 0.02 0.00 0.00 177.57 177.63 1pk7 h ARG 135 N 0.70 0.60 -0.58 1.57 2.43 -0.58 -0.40 114.38 118.13 1pk7 h ARG 135 Ca 0.17 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1pk7 h ARG 135 Cb 0.22 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1pk7 h ARG 135 CO -0.01 0.79 0.33 -0.91 -1.51 0.00 0.00 179.97 178.67 1pk7 h ASN 136 N 0.37 0.52 -0.73 -3.80 2.35 -0.21 0.46 115.58 114.54 1pk7 h ASN 136 Ca 0.08 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1pk7 h ASN 136 Cb 0.58 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1pk7 h ASN 136 CO 0.03 0.35 0.38 0.00 -1.65 0.00 0.00 177.43 176.54 1pk7 h ALA 137 N 1.28 0.94 -0.49 -0.83 0.00 -0.96 -0.45 119.26 118.75 1pk7 h ALA 137 Ca 0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1pk7 h ALA 137 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pk7 h ALA 137 CO -0.13 0.47 -0.06 0.28 0.00 0.00 0.00 179.25 179.81 1pk7 h VAL 138 N 1.01 1.26 -0.03 0.00 2.07 -0.35 -2.00 116.25 118.21 1pk7 h VAL 138 Ca 0.25 -1.15 -0.20 0.00 0.82 0.00 0.00 66.70 66.43 1pk7 h VAL 138 Cb 0.07 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pk7 h VAL 138 CO -0.04 0.40 -0.83 0.44 0.02 0.00 0.00 177.57 177.57 1pk7 h ASP 139 N 0.79 0.44 -0.22 0.57 3.45 -0.64 -2.77 116.42 118.03 1pk7 h ASP 139 Ca 0.14 -0.32 -0.06 0.00 0.43 0.00 0.00 57.03 57.21 1pk7 h ASP 139 Cb 0.57 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 1pk7 h ASP 139 CO 0.03 1.09 -0.10 0.00 -1.57 0.00 0.00 179.24 178.69 1pk7 h ALA 140 N 0.89 0.32 -0.57 3.45 0.00 -1.01 -2.37 119.26 119.97 1pk7 h ALA 140 Ca -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1pk7 h ALA 140 Cb 1.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1pk7 h ALA 140 CO 0.14 0.16 0.37 0.00 0.00 0.00 0.00 179.25 179.92 1pk7 h ALA 141 N 0.72 1.67 -0.29 0.00 0.00 -1.39 -1.82 119.26 118.14 1pk7 h ALA 141 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pk7 h ALA 141 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pk7 h ALA 141 CO 0.03 0.28 -0.01 -0.22 0.00 0.00 0.00 179.25 179.34 1pk7 h LYS 142 N 0.69 0.52 -0.71 0.00 3.64 -1.29 0.15 116.57 119.58 1pk7 h LYS 142 Ca 0.22 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1pk7 h LYS 142 Cb 0.03 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1pk7 h LYS 142 CO -0.06 0.67 0.41 0.00 -2.27 0.00 0.00 179.45 178.21 1pk7 h ALA 143 N 0.83 0.97 0.00 5.00 0.00 -0.83 0.13 119.26 125.36 1pk7 h ALA 143 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pk7 h ALA 143 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pk7 h ALA 143 CO 0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1pk7 n LEU 144 N -4.75 0.00 0.00 0.00 4.77 -0.76 -4.88 117.00 111.38 1pk7 n LEU 144 Ca 0.09 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1pk7 n LEU 144 Cb 0.18 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1pk7 n LEU 144 CO 0.29 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1pk7 n GLY 145 N 0.35 0.70 3.85 -0.72 0.00 0.03 -5.07 105.19 104.32 1pk7 n GLY 145 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.42 4.90 -1.01 -0.61 1.09 0.46 -4.98 121.20 118.64 1pk7 s ILE 146 Ca 0.00 0.78 -0.05 0.00 -1.10 0.00 0.00 60.65 60.28 1pk7 s ILE 146 Cb 0.00 -3.72 0.26 0.00 -1.06 0.00 0.00 42.46 37.94 1pk7 s ILE 146 CO 0.00 0.27 1.02 -0.90 -0.10 0.00 0.00 174.94 175.23 1pk7 n ASP 147 N 0.88 5.05 -4.77 3.58 5.68 -1.26 -3.73 116.55 121.98 1pk7 n ASP 147 Ca -0.06 -3.15 -0.39 0.00 -0.50 0.00 0.00 54.79 50.70 1pk7 n ASP 147 Cb 0.52 -1.20 -0.00 0.00 -1.14 0.00 0.00 41.12 39.29 1pk7 n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pk7 s ALA 148 N -1.60 3.13 -0.16 2.12 0.00 -1.26 -4.80 121.76 119.18 1pk7 s ALA 148 Ca 0.30 1.14 -0.08 0.00 0.00 0.00 0.00 51.96 53.31 1pk7 s ALA 148 Cb -0.06 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1pk7 s ALA 148 CO -0.07 -0.81 0.12 1.03 0.00 0.00 0.00 175.76 176.04 1pk7 s ARG 149 N -2.43 3.85 -0.22 0.00 0.52 -0.60 -4.98 118.95 115.08 1pk7 s ARG 149 Ca 0.60 -0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.61 1pk7 s ARG 149 Cb -0.35 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 31.85 1pk7 s ARG 149 CO 0.44 0.49 -0.12 0.08 0.02 0.00 0.00 175.30 176.22 1pk7 s VAL 150 N -0.21 2.52 0.00 3.52 1.01 -1.26 -0.06 120.40 125.92 1pk7 s VAL 150 Ca 0.10 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1pk7 s VAL 150 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1pk7 s VAL 150 CO 0.01 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1pk7 n GLY 151 N 4.62 2.69 3.87 4.51 0.00 -0.89 -4.92 105.19 115.08 1pk7 n GLY 151 Ca -0.18 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 6.65 0.29 1.61 0.02 -1.26 -1.45 114.94 122.79 1pk7 s ASN 152 Ca 0.00 0.83 0.11 0.00 -1.02 0.00 0.00 52.86 52.78 1pk7 s ASN 152 Cb 0.00 -2.19 -0.05 0.00 0.02 0.00 0.00 41.25 39.03 1pk7 s ASN 152 CO 0.00 0.10 -0.16 -0.76 0.02 0.00 0.00 177.10 176.30 1pk7 s LEU 153 N -2.18 2.68 -0.13 0.60 1.43 -1.03 -0.02 118.68 120.03 1pk7 s LEU 153 Ca 0.37 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1pk7 s LEU 153 Cb -0.13 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1pk7 s LEU 153 CO 0.20 -0.01 -0.20 0.12 0.23 0.00 0.00 176.35 176.69 1pk7 s PHE 154 N -2.51 2.46 -0.46 0.29 5.36 -0.60 0.47 117.98 123.00 1pk7 s PHE 154 Ca 0.31 -1.22 -0.14 0.00 -0.96 0.00 0.00 56.93 54.92 1pk7 s PHE 154 Cb -0.04 -1.70 0.07 0.00 -0.34 0.00 0.00 43.02 41.02 1pk7 s PHE 154 CO 0.16 -0.57 0.36 -1.12 -1.46 0.00 0.00 175.22 172.58 1pk7 s SER 155 N 0.86 6.01 0.36 6.13 0.01 0.99 -1.25 113.70 126.81 1pk7 s SER 155 Ca -0.07 -1.37 -0.09 0.00 1.31 0.00 0.00 55.95 55.73 1pk7 s SER 155 Cb -0.15 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 1pk7 s SER 155 CO -0.02 -0.61 0.69 0.00 0.41 0.00 0.00 173.24 173.71 1pk7 s ALA 156 N 1.58 3.44 -0.16 1.44 0.00 -0.65 -3.14 121.76 124.27 1pk7 s ALA 156 Ca 0.04 -0.31 0.17 0.00 0.00 0.00 0.00 51.96 51.85 1pk7 s ALA 156 Cb -0.24 -2.57 -0.24 0.00 0.00 0.00 0.00 23.12 20.07 1pk7 s ALA 156 CO 0.05 0.10 0.20 -0.25 0.00 0.00 0.00 175.76 175.87 1pk7 n ASP 157 N -1.10 0.22 -4.17 0.00 10.43 -1.26 -4.62 116.55 116.05 1pk7 n ASP 157 Ca 0.01 0.09 -0.36 0.00 2.57 0.00 0.00 54.79 57.10 1pk7 n ASP 157 Cb 0.54 0.74 -0.12 0.00 1.84 0.00 0.00 41.12 44.12 1pk7 n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1pk7 s LEU 158 N -5.64 4.70 0.30 0.64 1.43 -1.26 -4.94 118.68 113.90 1pk7 s LEU 158 Ca -0.09 -1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 51.37 1pk7 s LEU 158 Cb 0.06 -1.81 0.45 0.00 0.03 0.00 0.00 46.19 44.93 1pk7 s LEU 158 CO 0.83 -0.43 1.86 0.15 0.23 0.00 0.00 176.35 178.99 1pk7 h PHE 159 N 8.08 0.81 -3.52 0.29 3.04 -1.98 -3.13 116.94 120.53 1pk7 h PHE 159 Ca -0.17 -0.06 -0.74 0.00 3.98 0.00 0.00 57.97 60.98 1pk7 h PHE 159 Cb 1.06 -0.24 -0.32 0.00 2.56 0.00 0.00 35.95 39.00 1pk7 h PHE 159 CO 0.58 0.67 -0.01 0.71 -2.02 0.00 0.00 178.31 178.24 1pk7 s TYR 160 N -5.26 3.83 0.36 0.41 2.02 -1.26 -5.06 117.35 112.39 1pk7 s TYR 160 Ca -0.10 -2.69 -0.26 0.00 -0.37 0.00 0.00 57.07 53.65 1pk7 s TYR 160 Cb 0.16 -3.46 -0.09 0.00 -0.40 0.00 0.00 41.96 38.17 1pk7 s TYR 160 CO 0.79 -0.85 1.15 0.45 -1.57 0.00 0.00 175.55 175.51 1pk7 s SER 161 N 0.78 6.77 0.08 2.29 0.15 -1.18 -4.96 113.70 117.63 1pk7 s SER 161 Ca 0.24 2.31 -0.14 0.00 0.70 0.00 0.00 55.95 59.06 1pk7 s SER 161 Cb -0.11 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.41 1pk7 s SER 161 CO -0.09 -0.50 1.27 -0.65 1.20 0.00 0.00 173.24 174.47 1pk7 h PRO 162 N 2.99 0.73 0.00 5.44 0.11 -1.97 -3.41 132.00 135.88 1pk7 h PRO 162 Ca -0.48 -0.62 0.00 0.00 0.11 0.00 0.00 66.00 65.01 1pk7 h PRO 162 Cb 1.22 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1pk7 h PRO 162 CO 0.64 1.23 0.00 -0.25 -0.21 0.00 0.00 178.00 179.41 1pk7 n ASP 163 N -3.99 0.00 0.00 -2.05 9.92 -1.26 -4.94 116.55 114.23 1pk7 n ASP 163 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1pk7 n ASP 163 Cb 0.74 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1pk7 n ASP 163 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pk7 n GLY 164 N 1.40 2.98 0.00 0.44 0.00 -1.26 -4.83 105.19 103.92 1pk7 n GLY 164 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1pk7 n GLY 164 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pk7 n GLU 165 N -0.88 0.08 0.26 1.61 4.71 -1.26 -2.46 120.64 122.70 1pk7 n GLU 165 Ca 0.00 -0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 1pk7 n GLU 165 Cb 0.00 -1.50 0.56 0.00 -1.01 0.00 0.00 31.44 29.49 1pk7 n GLU 165 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1pk7 h MET 166 N 0.01 0.00 0.00 3.49 4.05 -2.01 -2.57 114.93 117.90 1pk7 h MET 166 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1pk7 h MET 166 Cb 0.46 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1pk7 h MET 166 CO 0.00 0.04 -0.30 0.74 0.23 0.00 0.00 176.91 177.62 1pk7 h PHE 167 N 0.00 0.00 -0.34 1.39 -1.00 -1.90 -1.18 116.94 113.91 1pk7 h PHE 167 Ca -0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 1pk7 h PHE 167 Cb 0.63 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1pk7 h PHE 167 CO 0.00 0.30 -0.41 -0.44 -1.61 0.00 0.00 178.31 176.14 1pk7 h ASP 168 N 0.00 0.92 -0.27 2.17 3.32 -1.65 -2.59 116.42 118.32 1pk7 h ASP 168 Ca -0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1pk7 h ASP 168 Cb 0.71 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1pk7 h ASP 168 CO 0.04 1.21 -0.01 0.58 -1.72 0.00 0.00 179.24 179.34 1pk7 h VAL 169 N 0.69 1.26 -0.18 -1.35 2.07 -1.46 -2.16 116.25 115.12 1pk7 h VAL 169 Ca 0.05 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1pk7 h VAL 169 Cb 0.99 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1pk7 h VAL 169 CO 0.10 0.30 0.03 0.24 0.02 0.00 0.00 177.57 178.26 1pk7 h MET 170 N 0.27 0.10 -0.26 1.57 2.86 -1.21 -1.72 114.93 116.54 1pk7 h MET 170 Ca 0.08 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1pk7 h MET 170 Cb 0.44 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1pk7 h MET 170 CO 0.02 0.06 0.02 1.49 1.06 0.00 0.00 176.91 179.56 1pk7 h GLU 171 N 0.10 0.37 -0.43 1.72 4.81 -1.46 -1.23 114.58 118.47 1pk7 h GLU 171 Ca 0.08 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1pk7 h GLU 171 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1pk7 h GLU 171 CO -0.11 0.39 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.20 1pk7 h LYS 172 N 0.37 0.79 -0.68 1.92 3.64 -0.66 -2.91 116.57 119.04 1pk7 h LYS 172 Ca 0.09 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1pk7 h LYS 172 Cb 0.22 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1pk7 h LYS 172 CO 0.00 0.89 0.05 0.66 -2.27 0.00 0.00 179.45 178.78 1pk7 n TYR 173 N -4.15 1.83 -2.93 1.91 4.01 -0.73 -4.95 117.16 112.14 1pk7 n TYR 173 Ca 0.01 -0.70 -0.18 0.00 -0.16 0.00 0.00 57.90 56.88 1pk7 n TYR 173 Cb 0.38 -0.48 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 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 0.40 -0.27 3.72 2.72 0.00 -1.03 -4.99 105.19 105.75 1pk7 n GLY 174 Ca 0.26 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.08 3.27 0.10 -0.61 -1.09 -0.49 -4.53 121.20 114.77 1pk7 s ILE 175 Ca 0.27 0.94 0.03 0.00 -2.23 0.00 0.00 60.65 59.66 1pk7 s ILE 175 Cb -0.12 -3.60 -0.23 0.00 -1.58 0.00 0.00 42.46 36.93 1pk7 s ILE 175 CO 0.34 0.08 1.22 -0.07 -1.23 0.00 0.00 174.94 175.28 1pk7 h LEU 176 N 6.54 0.14 -7.00 2.97 3.38 -0.79 -3.38 115.31 117.16 1pk7 h LEU 176 Ca -0.43 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.49 1pk7 h LEU 176 Cb 1.21 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.74 1pk7 h LEU 176 CO 0.85 1.12 0.49 -0.83 0.09 0.00 0.00 178.44 180.16 1pk7 s GLY 177 N -4.71 -0.42 -0.13 0.83 0.00 -1.24 -4.38 107.32 97.26 1pk7 s GLY 177 Ca -0.01 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.03 1pk7 s GLY 177 CO 0.84 0.56 -0.20 0.54 0.00 0.00 0.00 173.10 174.84 1pk7 s VAL 178 N -2.47 2.34 0.00 1.40 0.11 -0.35 -1.56 120.40 119.87 1pk7 s VAL 178 Ca 0.02 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1pk7 s VAL 178 Cb -0.01 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1pk7 s VAL 178 CO -0.05 0.54 0.00 -1.84 -3.33 0.00 0.00 175.10 170.42 1pk7 n GLU 179 N 3.83 1.03 0.00 1.54 -0.00 -0.38 -1.42 120.64 125.24 1pk7 n GLU 179 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 1pk7 n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.00 0.00 3.44 2.81 -1.26 -1.63 117.12 120.48 1pk7 n MET 180 Ca 0.00 -0.45 0.00 0.00 -1.81 0.00 0.00 57.70 55.44 1pk7 n MET 180 Cb 0.00 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 0.00 1.05 -0.18 0.03 4.71 -1.26 -2.67 120.64 122.32 1pk7 n GLU 181 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1pk7 n GLU 181 Cb 0.49 -0.77 -0.04 0.00 -1.01 0.00 0.00 31.44 30.11 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 -1.68 -0.28 -0.07 0.62 0.00 -1.26 0.20 120.51 118.05 1pk7 n ALA 182 Ca 0.00 0.37 0.16 0.00 0.00 0.00 0.00 53.44 53.98 1pk7 n ALA 182 Cb 0.27 0.01 0.59 0.00 0.00 0.00 0.00 19.45 20.32 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 0.07 2.26 -0.08 0.00 0.00 -1.84 -1.08 119.26 118.59 1pk7 h ALA 183 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1pk7 h ALA 183 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pk7 h ALA 183 CO -0.41 -0.42 -0.27 0.78 0.00 0.00 0.00 179.25 178.93 1pk7 h GLY 184 N 0.23 0.35 0.94 0.00 0.00 -0.59 -2.19 103.07 101.80 1pk7 h GLY 184 Ca 0.29 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1pk7 h GLY 184 CO -0.06 0.42 0.15 -2.22 0.00 0.00 0.00 176.54 174.83 1pk7 h ILE 185 N -0.17 1.18 -0.74 2.60 2.04 -0.83 -1.34 117.51 120.24 1pk7 h ILE 185 Ca -0.01 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1pk7 h ILE 185 Cb 0.91 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1pk7 h ILE 185 CO 0.06 0.19 0.40 1.88 0.00 0.00 0.00 178.15 180.68 1pk7 h TYR 186 N 0.42 1.01 -0.53 1.37 0.99 -1.29 0.16 116.97 119.10 1pk7 h TYR 186 Ca 0.12 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 1pk7 h TYR 186 Cb 0.16 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.54 1pk7 h TYR 186 CO -0.01 0.70 0.17 0.78 -0.00 0.00 0.00 178.16 179.80 1pk7 h GLY 187 N 1.08 0.88 0.94 3.88 0.00 -1.01 -1.23 103.07 107.60 1pk7 h GLY 187 Ca 0.26 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1pk7 h GLY 187 CO -0.04 0.49 0.10 -2.08 0.00 0.00 0.00 176.54 175.00 1pk7 h VAL 188 N 0.73 1.23 -1.00 4.60 2.07 -0.53 -1.41 116.25 121.94 1pk7 h VAL 188 Ca 0.17 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1pk7 h VAL 188 Cb 0.27 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1pk7 h VAL 188 CO -0.01 0.27 0.66 0.00 0.02 0.00 0.00 177.57 178.52 1pk7 h ALA 189 N 0.95 1.28 -0.31 1.67 0.00 -0.51 -1.05 119.26 121.30 1pk7 h ALA 189 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1pk7 h ALA 189 Cb 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pk7 h ALA 189 CO 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.76 1pk7 h ALA 190 N 1.37 0.43 -0.69 0.00 0.00 -1.05 -1.35 119.26 117.98 1pk7 h ALA 190 Ca 0.37 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1pk7 h ALA 190 Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1pk7 h ALA 190 CO -0.09 0.32 0.29 1.49 0.00 0.00 0.00 179.25 181.26 1pk7 h GLU 191 N 0.40 1.02 -0.35 0.00 4.81 -0.68 -3.21 114.58 116.57 1pk7 h GLU 191 Ca 0.07 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1pk7 h GLU 191 Cb 0.65 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1pk7 h GLU 191 CO 0.04 0.84 0.00 1.19 -0.73 0.00 0.00 179.01 180.35 1pk7 n PHE 192 N -4.40 1.03 -3.47 0.92 3.01 -0.45 -5.01 117.46 109.09 1pk7 n PHE 192 Ca 0.05 -0.76 -0.18 0.00 1.01 0.00 0.00 57.45 57.57 1pk7 n PHE 192 Cb 0.16 -0.27 0.09 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.04 -0.38 0.00 1.37 0.00 -0.58 -4.98 105.19 100.57 1pk7 n GLY 193 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1pk7 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk7 n ALA 194 N -4.26 0.00 -3.18 4.61 0.00 -0.75 -5.06 120.51 111.88 1pk7 n ALA 194 Ca -0.25 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.94 1pk7 n ALA 194 Cb 0.65 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.94 1pk7 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pk7 s LYS 195 N -1.69 1.83 0.08 0.00 1.02 -0.03 -4.69 119.74 116.27 1pk7 s LYS 195 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.48 1pk7 s LYS 195 Cb 0.00 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 1pk7 s LYS 195 CO 0.00 0.14 -0.08 0.00 -0.92 0.00 0.00 175.35 174.49 1pk7 s ALA 196 N 0.34 0.91 0.03 5.17 0.00 -1.26 -0.95 121.76 126.00 1pk7 s ALA 196 Ca -0.10 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 1pk7 s ALA 196 Cb -0.14 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1pk7 s ALA 196 CO 0.03 -0.14 0.27 -1.17 0.00 0.00 0.00 175.76 174.76 1pk7 s LEU 197 N -2.56 1.02 -0.07 0.00 2.96 0.08 -2.27 118.68 117.84 1pk7 s LEU 197 Ca 0.05 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1pk7 s LEU 197 Cb -0.00 1.21 0.02 0.00 0.50 0.00 0.00 46.19 47.92 1pk7 s LEU 197 CO -0.02 -0.56 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.50 1pk7 s THR 198 N -2.25 0.73 -0.03 3.68 2.01 -1.26 0.02 115.64 118.55 1pk7 s THR 198 Ca -0.07 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1pk7 s THR 198 Cb -0.02 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1pk7 s THR 198 CO -0.02 0.29 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.32 1pk7 s ILE 199 N 1.22 2.14 0.04 1.82 1.01 0.21 -1.59 121.20 126.06 1pk7 s ILE 199 Ca -0.06 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 1pk7 s ILE 199 Cb -0.14 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1pk7 s ILE 199 CO -0.02 0.58 -0.04 0.00 0.00 0.00 0.00 174.94 175.46 1pk7 s THR 201 N -2.76 2.56 -0.27 0.00 -4.23 -1.04 0.02 115.64 109.91 1pk7 s THR 201 Ca -0.02 -0.89 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 1pk7 s THR 201 Cb -0.00 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1pk7 s THR 201 CO -0.05 0.57 1.94 -0.69 -0.54 0.00 0.00 174.62 175.85 1pk7 s VAL 202 N -0.38 3.31 0.16 2.29 1.01 -1.01 -2.23 120.40 123.54 1pk7 s VAL 202 Ca 0.03 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1pk7 s VAL 202 Cb -0.12 -3.41 -0.16 0.00 0.00 0.00 0.00 36.38 32.69 1pk7 s VAL 202 CO 0.02 -0.25 1.36 0.77 0.00 0.00 0.00 175.10 177.00 1pk7 h SER 203 N 13.47 0.27 -5.15 3.32 4.64 -0.47 -3.05 113.55 126.57 1pk7 h SER 203 Ca -0.37 -0.23 0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1pk7 h SER 203 Cb 1.19 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1pk7 h SER 203 CO 1.00 1.04 0.37 1.51 -0.87 0.00 0.00 176.83 179.88 1pk7 s ASP 204 N -6.94 -0.09 -0.34 4.97 -4.77 -1.24 -4.87 116.67 103.40 1pk7 s ASP 204 Ca -0.03 -0.80 0.01 0.00 -3.30 0.00 0.00 52.55 48.44 1pk7 s ASP 204 Cb 0.10 0.68 0.09 0.00 -1.09 0.00 0.00 42.92 42.70 1pk7 s ASP 204 CO 0.83 -1.33 0.05 -2.28 0.70 0.00 0.00 175.17 173.15 1pk7 s HIS 205 N -2.80 3.55 0.25 2.11 2.46 -1.22 0.18 115.29 119.82 1pk7 s HIS 205 Ca 0.15 -2.56 -0.00 0.00 0.47 0.00 0.00 55.06 53.12 1pk7 s HIS 205 Cb -0.04 -2.68 0.58 0.00 -0.13 0.00 0.00 32.58 30.31 1pk7 s HIS 205 CO 0.07 -0.92 1.31 -0.89 -2.47 0.00 0.00 174.74 171.84 1pk7 n ILE 206 N 4.43 -0.35 -0.11 0.89 2.08 0.34 0.31 119.36 126.95 1pk7 n ILE 206 Ca -0.04 1.86 -0.05 0.00 0.56 0.00 0.00 62.75 65.08 1pk7 n ILE 206 Cb 0.42 -2.68 0.02 0.00 -0.75 0.00 0.00 39.64 36.65 1pk7 n ILE 206 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1pk7 h ARG 207 N 0.00 0.12 -0.50 0.38 3.08 -1.87 -3.36 114.38 112.23 1pk7 h ARG 207 Ca 0.48 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 60.25 1pk7 h ARG 207 Cb 0.94 -0.03 -0.31 0.00 0.08 0.00 0.00 29.97 30.65 1pk7 h ARG 207 CO -0.80 0.08 -0.87 0.25 -1.07 0.00 0.00 179.97 177.55 1pk7 n THR 208 N -5.16 0.72 0.00 2.04 -2.24 0.36 -5.12 114.28 104.87 1pk7 n THR 208 Ca 0.02 -2.40 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 1pk7 n THR 208 Cb 0.18 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1pk7 n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pk7 n HIS 209 N -0.54 0.00 -1.39 4.78 8.25 0.91 -4.70 115.22 122.54 1pk7 n HIS 209 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1pk7 n HIS 209 Cb 0.83 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.92 1pk7 n HIS 209 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pk7 n GLU 210 N 0.00 -2.91 -3.63 -0.41 0.00 -1.26 -3.40 120.64 109.04 1pk7 n GLU 210 Ca 0.00 2.28 -0.14 0.00 0.00 0.00 0.00 57.16 59.30 1pk7 n GLU 210 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 31.44 28.30 1pk7 n GLU 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1pk7 n GLN 211 N -2.84 0.32 0.00 5.31 3.00 -1.26 -4.47 117.38 117.45 1pk7 n GLN 211 Ca -0.02 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.55 1pk7 n GLN 211 Cb 0.39 1.94 0.00 0.00 0.00 0.00 0.00 30.24 32.58 1pk7 n GLN 211 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1pk7 n THR 212 N -0.47 0.00 -5.18 5.09 -1.04 -1.26 -5.09 114.28 106.33 1pk7 n THR 212 Ca 0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 1pk7 n THR 212 Cb 0.44 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.80 1pk7 n THR 212 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1pk7 s THR 213 N 2.02 2.28 0.31 12.58 -4.23 -1.26 -5.03 115.64 122.31 1pk7 s THR 213 Ca 0.00 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 1pk7 s THR 213 Cb 0.00 -1.82 0.35 0.00 1.34 0.00 0.00 72.50 72.37 1pk7 s THR 213 CO 0.00 0.56 1.61 0.00 -0.54 0.00 0.00 174.62 176.25 1pk7 h ALA 214 N 5.38 1.43 -0.62 3.99 0.00 -1.98 0.20 119.26 127.66 1pk7 h ALA 214 Ca -0.44 0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1pk7 h ALA 214 Cb 1.13 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1pk7 h ALA 214 CO 0.47 -0.58 0.36 0.00 0.00 0.00 0.00 179.25 179.50 1pk7 h ALA 215 N 1.88 0.81 -0.22 0.00 0.00 -1.99 -0.90 119.26 118.85 1pk7 h ALA 215 Ca 0.63 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.34 1pk7 h ALA 215 Cb 1.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pk7 h ALA 215 CO -0.75 0.07 -0.61 0.93 0.00 0.00 0.00 179.25 178.89 1pk7 h GLU 216 N 0.70 0.80 -0.93 0.00 5.08 -1.08 -2.55 114.58 116.59 1pk7 h GLU 216 Ca 0.26 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1pk7 h GLU 216 Cb 0.09 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1pk7 h GLU 216 CO -0.13 1.19 0.56 -0.09 -1.00 0.00 0.00 179.01 179.53 1pk7 h ARG 217 N 0.54 1.27 0.00 2.33 1.12 -0.94 -2.21 114.38 116.50 1pk7 h ARG 217 Ca -0.01 -0.12 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 1pk7 h ARG 217 Cb 1.23 -0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 1pk7 h ARG 217 CO 0.13 0.90 -0.21 1.96 -3.11 0.00 0.00 179.97 179.64 1pk7 h GLN 218 N 1.29 0.00 -0.11 0.20 4.20 -1.18 -2.71 115.11 116.80 1pk7 h GLN 218 Ca 0.33 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.81 1pk7 h GLN 218 Cb -0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1pk7 h GLN 218 CO -0.06 0.21 -0.85 1.15 -0.67 0.00 0.00 178.83 178.60 1pk7 h THR 219 N 0.00 1.28 -0.11 -0.54 2.02 -1.00 -2.81 112.91 111.74 1pk7 h THR 219 Ca -0.00 -2.05 -0.12 0.00 0.77 0.00 0.00 66.41 65.01 1pk7 h THR 219 Cb 1.00 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1pk7 h THR 219 CO 0.03 0.65 -0.45 0.74 0.37 0.00 0.00 175.52 176.85 1pk7 h THR 220 N 0.50 1.32 -0.21 3.16 2.02 -1.37 -0.94 112.91 117.40 1pk7 h THR 220 Ca -0.07 -1.62 -0.11 0.00 0.77 0.00 0.00 66.41 65.37 1pk7 h THR 220 Cb 1.49 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 1pk7 h THR 220 CO 0.17 0.48 -0.36 0.15 0.37 0.00 0.00 175.52 176.33 1pk7 h PHE 221 N 0.22 0.52 -0.02 3.16 3.04 -1.48 -1.55 116.94 120.83 1pk7 h PHE 221 Ca 0.02 -0.14 -0.17 0.00 3.98 0.00 0.00 57.97 61.66 1pk7 h PHE 221 Cb 0.88 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1pk7 h PHE 221 CO 0.02 0.75 -0.74 -0.91 -2.02 0.00 0.00 178.31 175.41 1pk7 h ASN 222 N 0.38 0.18 -0.47 0.41 -0.26 -1.21 -2.48 115.58 112.13 1pk7 h ASN 222 Ca 0.04 -0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 1pk7 h ASN 222 Cb 0.81 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.00 1pk7 h ASN 222 CO 0.07 0.86 0.12 0.44 -1.06 0.00 0.00 177.43 177.86 1pk7 h ASP 223 N 0.10 0.70 -0.25 5.81 3.32 -0.83 -1.21 116.42 124.06 1pk7 h ASP 223 Ca -0.02 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.83 1pk7 h ASP 223 Cb 1.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 1pk7 h ASP 223 CO 0.11 0.74 0.07 -0.03 -1.72 0.00 0.00 179.24 178.41 1pk7 h MET 224 N 0.63 0.18 -0.88 3.56 1.85 -1.17 -1.45 114.93 117.64 1pk7 h MET 224 Ca 0.15 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.21 1pk7 h MET 224 Cb 0.31 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.26 1pk7 h MET 224 CO -0.00 0.12 0.48 0.82 -0.40 0.00 0.00 176.91 177.92 1pk7 h ILE 225 N 0.18 1.26 -0.54 1.77 1.08 -1.24 -0.79 117.51 119.22 1pk7 h ILE 225 Ca 0.11 -0.64 -0.06 0.00 -0.39 0.00 0.00 64.86 63.88 1pk7 h ILE 225 Cb 0.09 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.88 1pk7 h ILE 225 CO -0.13 0.29 0.08 0.11 -0.69 0.00 0.00 178.15 177.81 1pk7 h LYS 226 N 1.24 0.87 -0.61 2.37 1.57 -0.85 0.46 116.57 121.61 1pk7 h LYS 226 Ca 0.31 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1pk7 h LYS 226 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1pk7 h LYS 226 CO -0.05 0.82 0.09 0.82 -0.57 0.00 0.00 179.45 180.56 1pk7 h ILE 227 N 0.82 1.26 0.70 1.86 2.04 -0.60 0.37 117.51 123.96 1pk7 h ILE 227 Ca 0.17 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1pk7 h ILE 227 Cb 0.38 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1pk7 h ILE 227 CO 0.01 0.38 -0.33 0.00 0.00 0.00 0.00 178.15 178.20 1pk7 h ALA 228 N 1.02 -0.93 -0.37 1.87 0.00 -0.61 0.59 119.26 120.83 1pk7 h ALA 228 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pk7 h ALA 228 Cb 0.44 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1pk7 h ALA 228 CO 0.01 -0.98 0.21 -0.07 0.00 0.00 0.00 179.25 178.43 1pk7 h LEU 229 N -1.03 0.34 -1.06 0.00 3.38 -0.82 -2.60 115.31 113.51 1pk7 h LEU 229 Ca -0.10 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1pk7 h LEU 229 Cb 0.74 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1pk7 h LEU 229 CO 0.16 0.25 0.15 -0.33 0.09 0.00 0.00 178.44 178.75 1pk7 h GLU 230 N 0.43 0.82 -0.03 1.13 4.39 -0.26 -2.46 114.58 118.60 1pk7 h GLU 230 Ca 0.15 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1pk7 h GLU 230 Cb 0.01 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1pk7 h GLU 230 CO -0.07 0.72 -0.01 0.66 -1.16 0.00 0.00 179.01 179.15 1pk7 h SER 231 N 0.79 0.03 0.01 1.42 4.64 -0.48 -1.74 113.55 118.22 1pk7 h SER 231 Ca 0.18 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1pk7 h SER 231 Cb 0.26 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1pk7 h SER 231 CO -0.01 0.05 -0.00 0.58 -0.87 0.00 0.00 176.83 176.59 1pk7 h VAL 232 N 0.04 1.25 -0.39 0.95 2.07 -1.28 -0.65 116.25 118.24 1pk7 h VAL 232 Ca 0.01 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1pk7 h VAL 232 Cb 0.05 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1pk7 h VAL 232 CO 0.00 0.19 0.14 -0.07 0.02 0.00 0.00 177.57 177.86 1pk7 h LEU 233 N -0.33 0.16 -1.03 2.57 3.38 -1.46 -0.27 115.31 118.34 1pk7 h LEU 233 Ca -0.00 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1pk7 h LEU 233 Cb 0.32 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1pk7 h LEU 233 CO 0.00 0.13 0.62 0.25 0.09 0.00 0.00 178.44 179.53 1pk7 h LEU 234 N 0.30 0.86 -0.80 1.67 5.85 -1.20 0.43 115.31 122.43 1pk7 h LEU 234 Ca 0.18 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1pk7 h LEU 234 Cb 0.15 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1pk7 h LEU 234 CO -0.18 0.41 -0.22 1.23 -0.34 0.00 0.00 178.44 179.34 1pk7 h GLY 235 N 0.90 0.00 1.79 3.75 0.00 0.52 -2.93 103.07 107.09 1pk7 h GLY 235 Ca 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.74 1pk7 h GLY 235 CO -0.30 0.00 -0.43 -0.55 0.00 0.00 0.00 176.54 175.25 1pk7 h ASP 236 N 0.00 0.25 -0.00 0.19 3.32 0.38 -3.51 116.42 117.05 1pk7 h ASP 236 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1pk7 h ASP 236 Cb 0.87 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1pk7 h ASP 236 CO 0.03 0.66 0.00 0.29 -1.72 0.00 0.00 179.24 178.50