#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pr6 s THR 2 N 0.00 2.14 0.59 0.00 -4.23 -0.21 -4.96 115.64 108.97 1pr6 s THR 2 Ca 0.00 -1.29 0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1pr6 s THR 2 Cb 0.00 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 71.77 1pr6 s THR 2 CO 0.00 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.46 1pr6 h PRO 3 N 0.67 0.00 0.00 3.99 0.11 -2.01 -2.95 132.00 131.81 1pr6 h PRO 3 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pr6 h PRO 3 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pr6 h PRO 3 CO 0.52 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.03 1pr6 n HIS 4 N -3.75 0.00 -3.66 0.65 8.25 -1.26 -5.00 115.22 110.45 1pr6 n HIS 4 Ca 0.04 -0.30 -0.20 0.00 -0.26 0.00 0.00 57.72 56.99 1pr6 n HIS 4 Cb 0.44 -0.03 -0.18 0.00 1.12 0.00 0.00 29.99 31.34 1pr6 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pr6 s ILE 5 N -0.60 -0.13 -0.89 1.59 1.01 -1.12 -4.74 121.20 116.32 1pr6 s ILE 5 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 1pr6 s ILE 5 Cb 0.00 -0.22 0.21 0.00 0.01 0.00 0.00 42.46 42.46 1pr6 s ILE 5 CO 0.00 0.13 0.89 0.21 0.00 0.00 0.00 174.94 176.17 1pr6 s ASN 6 N 2.18 6.82 0.38 3.58 2.47 -1.26 -1.04 114.94 128.07 1pr6 s ASN 6 Ca 0.04 -2.69 -0.13 0.00 0.42 0.00 0.00 52.86 50.50 1pr6 s ASN 6 Cb -0.12 -2.25 0.05 0.00 -1.45 0.00 0.00 41.25 37.47 1pr6 s ASN 6 CO -0.04 -0.63 0.74 0.00 -3.72 0.00 0.00 177.10 173.45 1pr6 s ALA 7 N 0.50 -0.49 0.18 1.71 0.00 -1.26 -4.58 121.76 117.81 1pr6 s ALA 7 Ca 0.23 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1pr6 s ALA 7 Cb -0.09 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 1pr6 s ALA 7 CO -0.09 -0.96 -0.13 -1.21 0.00 0.00 0.00 175.76 173.38 1pr6 s GLU 8 N -2.42 1.22 -0.07 0.00 0.41 -1.26 -0.22 118.70 116.36 1pr6 s GLU 8 Ca 0.18 -1.52 -0.36 0.00 -0.41 0.00 0.00 54.97 52.86 1pr6 s GLU 8 Cb -0.04 -0.94 -0.14 0.00 -1.78 0.00 0.00 34.13 31.22 1pr6 s GLU 8 CO 0.13 0.15 1.68 -0.12 -0.49 0.00 0.00 175.26 176.60 1pr6 n MET 9 N -0.25 1.65 0.00 1.61 0.00 -1.26 -0.98 117.12 117.89 1pr6 n MET 9 Ca -0.09 0.60 0.00 0.00 -0.00 0.00 0.00 57.70 58.21 1pr6 n MET 9 Cb 0.60 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.48 1pr6 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pr6 n GLY 10 N 3.78 2.56 0.14 -5.12 0.00 -1.26 -4.95 105.19 100.35 1pr6 n GLY 10 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1pr6 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pr6 h ASP 11 N 0.10 0.01 -2.70 1.61 3.32 -1.42 -3.44 116.42 113.91 1pr6 h ASP 11 Ca 0.00 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.47 1pr6 h ASP 11 Cb 0.00 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1pr6 h ASP 11 CO 0.00 0.60 -0.51 -0.36 -1.72 0.00 0.00 179.24 177.25 1pr6 s PHE 12 N -3.68 3.37 0.85 4.55 0.40 -1.26 -4.75 117.98 117.45 1pr6 s PHE 12 Ca -0.02 0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 1pr6 s PHE 12 Cb 0.13 -1.63 0.13 0.00 0.51 0.00 0.00 43.02 42.16 1pr6 s PHE 12 CO 0.76 0.53 1.20 0.00 0.70 0.00 0.00 175.22 178.41 1pr6 s ALA 13 N -1.68 2.63 -1.83 5.36 0.00 -1.26 -4.95 121.76 120.02 1pr6 s ALA 13 Ca 0.33 -0.99 0.30 0.00 0.00 0.00 0.00 51.96 51.60 1pr6 s ALA 13 Cb -0.11 -2.76 1.72 0.00 0.00 0.00 0.00 23.12 21.96 1pr6 s ALA 13 CO 0.26 -1.91 2.11 -0.40 0.00 0.00 0.00 175.76 175.82 1pr6 n ASP 14 N -3.41 0.00 -4.02 0.00 3.85 -1.26 -4.63 116.55 107.08 1pr6 n ASP 14 Ca 0.11 -0.71 -0.21 0.00 -0.71 0.00 0.00 54.79 53.27 1pr6 n ASP 14 Cb 0.60 -0.08 -0.15 0.00 -1.35 0.00 0.00 41.12 40.14 1pr6 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pr6 s VAL 15 N -2.17 0.85 -0.05 2.12 1.01 -1.26 -0.67 120.40 120.23 1pr6 s VAL 15 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1pr6 s VAL 15 Cb 0.21 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1pr6 s VAL 15 CO 0.38 0.26 -0.03 -0.69 0.00 0.00 0.00 175.10 175.02 1pr6 s VAL 16 N 0.12 0.47 0.02 2.92 1.01 -0.70 -2.81 120.40 121.43 1pr6 s VAL 16 Ca -0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 1pr6 s VAL 16 Cb -0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1pr6 s VAL 16 CO 0.00 0.23 0.60 -0.76 0.00 0.00 0.00 175.10 175.17 1pr6 s LEU 17 N 1.21 4.45 -0.17 3.92 1.02 0.11 -1.90 118.68 127.31 1pr6 s LEU 17 Ca -0.07 1.21 -0.03 0.00 0.02 0.00 0.00 54.13 55.27 1pr6 s LEU 17 Cb -0.14 -2.94 0.06 0.00 0.02 0.00 0.00 46.19 43.19 1pr6 s LEU 17 CO -0.02 0.14 0.04 -0.04 0.02 0.00 0.00 176.35 176.50 1pr6 s MET 18 N -0.44 0.57 0.44 1.70 -1.94 -0.06 -1.43 119.30 118.14 1pr6 s MET 18 Ca 0.31 -0.31 0.02 0.00 -1.71 0.00 0.00 55.69 54.00 1pr6 s MET 18 Cb -0.19 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1pr6 s MET 18 CO 0.18 -0.60 0.65 -1.25 -0.01 0.00 0.00 175.02 173.99 1pr6 s PRO 19 N 1.91 2.99 0.12 2.03 0.04 -1.24 -1.43 135.00 139.42 1pr6 s PRO 19 Ca 0.00 -0.65 -0.05 0.00 0.04 0.00 0.00 61.00 60.34 1pr6 s PRO 19 Cb -0.16 -2.60 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 1pr6 s PRO 19 CO -0.08 -0.27 1.29 0.78 0.04 0.00 0.00 177.00 178.76 1pr6 h GLY 20 N 0.45 0.50 -5.76 0.56 0.00 -1.84 -1.34 103.07 95.64 1pr6 h GLY 20 Ca -0.45 -0.87 -0.58 0.00 0.00 0.00 0.00 47.33 45.42 1pr6 h GLY 20 CO 0.55 0.77 0.72 -0.35 0.00 0.00 0.00 176.54 178.23 1pr6 s ASP 21 N -7.11 6.88 0.49 0.19 -1.08 -1.26 -2.01 116.67 112.78 1pr6 s ASP 21 Ca -0.06 0.99 0.19 0.00 -0.52 0.00 0.00 52.55 53.14 1pr6 s ASP 21 Cb 0.09 -2.51 1.24 0.00 -1.46 0.00 0.00 42.92 40.28 1pr6 s ASP 21 CO 0.87 -0.78 2.07 1.55 0.52 0.00 0.00 175.17 179.41 1pr6 h PRO 22 N 8.02 0.00 0.00 4.34 0.13 -1.89 -1.42 132.00 141.18 1pr6 h PRO 22 Ca -0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1pr6 h PRO 22 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1pr6 h PRO 22 CO 0.99 0.11 -0.35 -0.07 -0.23 0.00 0.00 178.00 178.45 1pr6 h LEU 23 N 0.00 0.00 -0.32 1.56 3.38 -1.92 -2.22 115.31 115.80 1pr6 h LEU 23 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1pr6 h LEU 23 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pr6 h LEU 23 CO 0.01 0.35 -0.44 -0.09 0.09 0.00 0.00 178.44 178.36 1pr6 h ARG 24 N 0.00 0.00 -0.27 1.13 2.43 -1.67 -2.23 114.38 113.76 1pr6 h ARG 24 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1pr6 h ARG 24 Cb 0.71 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1pr6 h ARG 24 CO 0.05 0.44 -0.04 0.00 -1.51 0.00 0.00 179.97 178.90 1pr6 h ALA 25 N 1.56 0.38 -0.39 2.80 0.00 -1.19 -0.76 119.26 121.66 1pr6 h ALA 25 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pr6 h ALA 25 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1pr6 h ALA 25 CO 0.06 0.17 0.25 -0.22 0.00 0.00 0.00 179.25 179.51 1pr6 h LYS 26 N 0.28 0.51 -0.90 0.00 3.64 -1.37 -0.31 116.57 118.42 1pr6 h LYS 26 Ca 0.07 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1pr6 h LYS 26 Cb 0.51 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1pr6 h LYS 26 CO 0.02 0.34 0.57 -0.92 -2.27 0.00 0.00 179.45 177.19 1pr6 h TYR 27 N 0.52 1.05 -0.44 1.91 5.03 -1.24 -0.87 116.97 122.94 1pr6 h TYR 27 Ca 0.14 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.36 1pr6 h TYR 27 Cb -0.05 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 37.87 1pr6 h TYR 27 CO -0.05 0.54 -0.22 0.82 -1.32 0.00 0.00 178.16 177.94 1pr6 h ILE 28 N 1.04 1.27 -0.48 1.81 2.04 -0.40 -0.51 117.51 122.28 1pr6 h ILE 28 Ca 0.39 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 1pr6 h ILE 28 Cb 0.16 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1pr6 h ILE 28 CO -0.17 0.46 0.06 0.00 0.00 0.00 0.00 178.15 178.50 1pr6 h ALA 29 N 0.98 0.64 -0.09 1.87 0.00 -0.40 -0.40 119.26 121.86 1pr6 h ALA 29 Ca 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1pr6 h ALA 29 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pr6 h ALA 29 CO 0.06 0.39 -0.68 0.93 0.00 0.00 0.00 179.25 179.95 1pr6 h GLU 30 N 0.68 0.38 0.05 0.00 5.08 -1.09 -2.60 114.58 117.08 1pr6 h GLU 30 Ca 0.14 -0.29 -0.30 0.00 -1.00 0.00 0.00 59.36 57.91 1pr6 h GLU 30 Cb 0.42 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1pr6 h GLU 30 CO 0.01 0.92 -1.64 1.15 -1.00 0.00 0.00 179.01 178.46 1pr6 h THR 31 N 0.27 0.98 0.00 1.13 2.02 -1.04 -3.42 112.91 112.85 1pr6 h THR 31 Ca -0.02 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.42 1pr6 h THR 31 Cb 1.23 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 1pr6 h THR 31 CO 0.11 0.69 -0.49 0.49 0.37 0.00 0.00 175.52 176.70 1pr6 n PHE 32 N -3.25 0.00 -3.94 3.16 3.01 -0.17 -5.06 117.46 111.20 1pr6 n PHE 32 Ca -0.17 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.00 1pr6 n PHE 32 Cb 1.04 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 40.45 1pr6 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pr6 s LEU 33 N -2.50 4.30 -0.16 4.37 1.02 -0.98 -4.72 118.68 120.00 1pr6 s LEU 33 Ca 0.00 0.20 -0.11 0.00 0.02 0.00 0.00 54.13 54.24 1pr6 s LEU 33 Cb 0.01 -2.89 -0.05 0.00 0.02 0.00 0.00 46.19 43.28 1pr6 s LEU 33 CO 0.06 0.12 0.20 -0.70 0.02 0.00 0.00 176.35 176.05 1pr6 s GLU 34 N -2.82 4.07 -1.31 1.70 2.56 0.12 -4.49 118.70 118.53 1pr6 s GLU 34 Ca 0.34 -0.06 -0.13 0.00 0.00 0.00 0.00 54.97 55.12 1pr6 s GLU 34 Cb -0.12 -3.37 0.01 0.00 2.00 0.00 0.00 34.13 32.64 1pr6 s GLU 34 CO 0.28 0.38 0.51 -0.25 -0.56 0.00 0.00 175.26 175.62 1pr6 n ASP 35 N 3.19 -2.27 -4.74 -1.70 9.92 -1.26 -1.94 116.55 117.75 1pr6 n ASP 35 Ca -0.15 -1.11 -0.41 0.00 -0.53 0.00 0.00 54.79 52.59 1pr6 n ASP 35 Cb 0.52 -2.66 -0.04 0.00 -0.64 0.00 0.00 41.12 38.31 1pr6 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pr6 s ALA 36 N -3.80 3.41 0.01 2.24 0.00 -1.26 -4.61 121.76 117.75 1pr6 s ALA 36 Ca 0.23 0.90 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1pr6 s ALA 36 Cb -0.10 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1pr6 s ALA 36 CO 0.91 -0.28 -0.16 -0.98 0.00 0.00 0.00 175.76 175.25 1pr6 s ARG 37 N -0.55 1.19 0.04 0.00 1.70 -0.77 -4.96 118.95 115.61 1pr6 s ARG 37 Ca 0.50 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 1pr6 s ARG 37 Cb -0.32 -1.18 -0.04 0.00 -0.57 0.00 0.00 34.95 32.84 1pr6 s ARG 37 CO 0.37 0.31 1.04 -2.00 -1.08 0.00 0.00 175.30 173.95 1pr6 s GLU 38 N -0.63 4.55 0.00 3.89 2.12 -1.26 -1.65 118.70 125.72 1pr6 s GLU 38 Ca 0.05 1.53 0.01 0.00 0.36 0.00 0.00 54.97 56.93 1pr6 s GLU 38 Cb -0.07 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1pr6 s GLU 38 CO 0.00 -0.06 0.73 1.33 -0.54 0.00 0.00 175.26 176.72 1pr6 n VAL 39 N 3.66 0.37 -3.60 3.70 0.24 0.01 -4.97 118.33 117.73 1pr6 n VAL 39 Ca 0.06 -0.68 -0.08 0.00 -2.04 0.00 0.00 64.34 61.59 1pr6 n VAL 39 Cb 0.49 0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 1pr6 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pr6 s ASN 40 N -0.45 -0.30 0.00 -1.34 2.47 -1.22 -4.40 114.94 109.70 1pr6 s ASN 40 Ca 0.02 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1pr6 s ASN 40 Cb 0.01 0.31 0.00 0.00 -1.45 0.00 0.00 41.25 40.12 1pr6 s ASN 40 CO 0.02 -0.24 0.28 -0.46 -3.72 0.00 0.00 177.10 172.98 1pr6 n ASN 41 N 0.92 0.00 -4.74 -4.21 6.94 -1.26 -2.33 115.26 110.58 1pr6 n ASN 41 Ca -0.08 -1.06 -0.42 0.00 -0.02 0.00 0.00 54.58 53.00 1pr6 n ASN 41 Cb 0.58 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.97 1pr6 n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1pr6 n VAL 42 N 0.00 1.31 -1.25 3.53 0.31 -1.26 -0.58 118.33 120.38 1pr6 n VAL 42 Ca 0.00 -0.33 -0.11 0.00 -0.01 0.00 0.00 64.34 63.89 1pr6 n VAL 42 Cb 0.51 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 1pr6 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pr6 n ARG 43 N 1.64 -1.60 -0.98 5.55 1.74 -1.26 -1.64 116.66 120.11 1pr6 n ARG 43 Ca 0.07 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1pr6 n ARG 43 Cb 0.37 -5.04 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 1pr6 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pr6 n GLY 44 N 0.09 0.46 3.40 -0.13 0.00 0.25 -4.95 105.19 104.32 1pr6 n GLY 44 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1pr6 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pr6 n MET 45 N -2.07 3.26 -1.64 1.61 0.00 -0.65 -4.85 117.12 112.77 1pr6 n MET 45 Ca 0.00 -3.43 -0.48 0.00 0.00 0.00 0.00 57.70 53.79 1pr6 n MET 45 Cb 0.09 -3.28 -0.04 0.00 0.00 0.00 0.00 33.22 29.99 1pr6 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pr6 n LEU 46 N 6.88 2.53 -4.06 -0.89 4.77 -1.26 -4.36 117.00 120.62 1pr6 n LEU 46 Ca 0.44 1.11 -0.20 0.00 -0.03 0.00 0.00 56.01 57.34 1pr6 n LEU 46 Cb 0.43 -1.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.04 1pr6 n LEU 46 CO 0.74 -0.65 -0.45 -0.83 -1.33 0.00 0.00 177.39 174.87 1pr6 s GLY 47 N 0.56 0.56 0.06 -0.72 0.00 -0.98 -2.55 107.32 104.25 1pr6 s GLY 47 Ca 0.77 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.98 1pr6 s GLY 47 CO 0.44 -0.46 -0.05 -1.36 0.00 0.00 0.00 173.10 171.68 1pr6 s PHE 48 N -0.37 0.60 -0.02 1.90 0.08 0.18 -0.81 117.98 119.54 1pr6 s PHE 48 Ca 0.03 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.26 1pr6 s PHE 48 Cb -0.05 -0.39 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1pr6 s PHE 48 CO -0.00 -0.23 0.00 0.99 -0.10 0.00 0.00 175.22 175.89 1pr6 s THR 49 N -2.94 0.10 0.00 0.64 2.01 -0.66 -0.85 115.64 113.94 1pr6 s THR 49 Ca 0.01 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1pr6 s THR 49 Cb 0.01 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.34 1pr6 s THR 49 CO -0.05 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1pr6 n GLY 50 N 3.86 3.48 3.12 4.40 0.00 0.08 -1.84 105.19 118.28 1pr6 n GLY 50 Ca -0.24 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1pr6 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pr6 s THR 51 N -0.89 0.77 -0.14 2.61 -4.23 -0.82 -0.90 115.64 112.04 1pr6 s THR 51 Ca 0.00 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1pr6 s THR 51 Cb 0.00 -0.93 0.04 0.00 1.34 0.00 0.00 72.50 72.95 1pr6 s THR 51 CO 0.00 -0.41 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.20 1pr6 s TYR 52 N -1.69 1.15 -1.51 3.99 6.14 0.83 0.15 117.35 126.41 1pr6 s TYR 52 Ca -0.04 -0.71 -0.13 0.00 0.64 0.00 0.00 57.07 56.84 1pr6 s TYR 52 Cb -0.08 -1.06 0.08 0.00 0.42 0.00 0.00 41.96 41.32 1pr6 s TYR 52 CO 0.00 -0.52 1.00 1.63 0.64 0.00 0.00 175.55 178.30 1pr6 n LYS 53 N 5.02 -5.77 -0.37 4.97 4.01 -1.26 -0.64 118.16 124.12 1pr6 n LYS 53 Ca -0.09 0.62 0.00 0.00 -0.51 0.00 0.00 58.31 58.33 1pr6 n LYS 53 Cb 0.48 -5.52 0.00 0.00 -0.51 0.00 0.00 35.03 29.48 1pr6 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pr6 n GLY 54 N -1.72 2.24 3.74 0.72 0.00 -1.26 -5.00 105.19 103.90 1pr6 n GLY 54 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1pr6 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pr6 s ARG 55 N -0.00 4.32 0.08 1.61 3.00 0.19 -5.02 118.95 123.13 1pr6 s ARG 55 Ca 0.00 0.53 -0.30 0.00 -1.00 0.00 0.00 55.73 54.96 1pr6 s ARG 55 Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 34.95 31.48 1pr6 s ARG 55 CO 0.00 0.22 1.17 0.21 0.00 0.00 0.00 175.30 176.90 1pr6 s LYS 56 N 0.38 4.47 -0.03 5.12 2.20 -1.26 -0.12 119.74 130.50 1pr6 s LYS 56 Ca 0.28 1.74 -0.14 0.00 -0.36 0.00 0.00 55.97 57.49 1pr6 s LYS 56 Cb -0.16 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1pr6 s LYS 56 CO 0.12 -0.18 0.31 0.42 -0.36 0.00 0.00 175.35 175.67 1pr6 s ILE 57 N 0.77 0.05 0.24 5.43 1.01 -0.08 -4.75 121.20 123.86 1pr6 s ILE 57 Ca 0.56 -0.39 0.12 0.00 0.00 0.00 0.00 60.65 60.94 1pr6 s ILE 57 Cb -0.29 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1pr6 s ILE 57 CO 0.31 -0.22 -0.22 -0.44 0.00 0.00 0.00 174.94 174.37 1pr6 s SER 58 N -1.06 3.53 -0.10 3.58 0.01 -1.12 -0.74 113.70 117.80 1pr6 s SER 58 Ca -0.11 -0.95 -0.04 0.00 1.31 0.00 0.00 55.95 56.16 1pr6 s SER 58 Cb -0.05 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.95 1pr6 s SER 58 CO 0.04 0.08 0.21 0.54 0.41 0.00 0.00 173.24 174.51 1pr6 s VAL 59 N -2.11 -0.19 -0.08 3.43 0.11 -0.03 -0.71 120.40 120.81 1pr6 s VAL 59 Ca 0.26 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 1pr6 s VAL 59 Cb -0.06 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1pr6 s VAL 59 CO 0.13 0.10 0.27 -0.32 -3.33 0.00 0.00 175.10 171.94 1pr6 s MET 60 N 1.78 0.38 0.73 1.54 0.00 -0.52 -0.65 119.30 122.57 1pr6 s MET 60 Ca -0.04 0.23 -0.11 0.00 0.00 0.00 0.00 55.69 55.78 1pr6 s MET 60 Cb -0.11 0.18 0.03 0.00 0.00 0.00 0.00 34.83 34.93 1pr6 s MET 60 CO -0.07 -0.07 1.08 0.20 0.00 0.00 0.00 175.02 176.16 1pr6 s GLY 61 N -0.20 1.69 0.00 2.11 0.00 -1.06 -3.70 107.32 106.17 1pr6 s GLY 61 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1pr6 s GLY 61 CO 0.01 0.52 0.39 -2.39 0.00 0.00 0.00 173.10 171.63 1pr6 n HIS 62 N -3.28 0.00 -0.20 1.90 1.44 -0.51 -4.88 115.22 109.68 1pr6 n HIS 62 Ca 0.08 -0.02 0.03 0.00 -2.01 0.00 0.00 57.72 55.80 1pr6 n HIS 62 Cb 0.53 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 1pr6 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pr6 n GLY 63 N -0.02 -1.68 3.75 -1.39 0.00 -0.85 -3.09 105.19 101.91 1pr6 n GLY 63 Ca 0.00 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1pr6 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pr6 s MET 64 N -1.64 4.19 0.00 1.61 1.00 -1.26 -4.64 119.30 118.56 1pr6 s MET 64 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 55.69 55.90 1pr6 s MET 64 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 34.83 31.44 1pr6 s MET 64 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 175.02 175.74 1pr6 n GLY 65 N 3.07 2.24 0.34 -0.03 0.00 -1.26 -4.47 105.19 105.09 1pr6 n GLY 65 Ca -0.11 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.26 1pr6 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pr6 h ILE 66 N 0.00 0.92 -0.41 -0.61 2.04 -1.76 -1.98 117.51 115.71 1pr6 h ILE 66 Ca 0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1pr6 h ILE 66 Cb 0.00 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 1pr6 h ILE 66 CO 0.00 0.16 0.08 -0.65 0.00 0.00 0.00 178.15 177.74 1pr6 h PRO 67 N 0.90 0.62 0.05 2.37 0.11 -1.90 -1.59 132.00 132.56 1pr6 h PRO 67 Ca 0.45 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1pr6 h PRO 67 Cb 0.41 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1pr6 h PRO 67 CO -0.25 0.59 -0.03 1.03 -0.21 0.00 0.00 178.00 179.13 1pr6 h SER 68 N 0.60 -0.06 0.90 -2.05 0.87 -1.60 -3.25 113.55 108.96 1pr6 h SER 68 Ca 0.14 -0.53 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 1pr6 h SER 68 Cb 0.26 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1pr6 h SER 68 CO 0.00 0.53 -0.07 0.00 -0.53 0.00 0.00 176.83 176.75 1pr6 h SER 70 N 0.00 0.28 0.13 0.00 0.02 -1.34 -1.94 113.55 110.69 1pr6 h SER 70 Ca -0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1pr6 h SER 70 Cb 0.54 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1pr6 h SER 70 CO 0.01 0.63 -0.06 0.40 -1.14 0.00 0.00 176.83 176.67 1pr6 h ILE 71 N 0.23 1.05 -0.33 3.27 2.04 -1.53 -2.75 117.51 119.49 1pr6 h ILE 71 Ca 0.03 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1pr6 h ILE 71 Cb 0.76 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1pr6 h ILE 71 CO 0.06 0.21 0.07 1.88 0.00 0.00 0.00 178.15 180.36 1pr6 h TYR 72 N -0.60 0.56 -0.43 1.37 0.05 -1.55 -2.33 116.97 114.03 1pr6 h TYR 72 Ca -0.02 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.62 1pr6 h TYR 72 Cb 0.47 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1pr6 h TYR 72 CO 0.06 0.59 -0.01 1.79 -1.05 0.00 0.00 178.16 179.54 1pr6 h THR 73 N 0.37 1.23 0.06 -2.88 1.35 -1.47 -1.66 112.91 109.92 1pr6 h THR 73 Ca 0.10 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1pr6 h THR 73 Cb 0.32 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1pr6 h THR 73 CO 0.00 0.33 -0.03 0.50 -0.25 0.00 0.00 175.52 176.08 1pr6 h LYS 74 N 0.66 -0.08 -0.95 4.72 3.11 -1.42 -2.09 116.57 120.53 1pr6 h LYS 74 Ca 0.13 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.99 1pr6 h LYS 74 Cb 0.42 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.62 1pr6 h LYS 74 CO 0.02 0.20 0.63 0.93 -2.81 0.00 0.00 179.45 178.41 1pr6 h GLU 75 N -0.35 1.23 -0.58 1.90 5.08 -1.29 -0.67 114.58 119.90 1pr6 h GLU 75 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1pr6 h GLU 75 Cb 0.31 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1pr6 h GLU 75 CO 0.01 0.81 0.30 -0.07 -1.00 0.00 0.00 179.01 179.06 1pr6 h LEU 76 N 1.27 0.74 -0.17 1.33 3.38 -1.25 -1.13 115.31 119.48 1pr6 h LEU 76 Ca 0.35 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1pr6 h LEU 76 Cb -0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1pr6 h LEU 76 CO -0.08 0.64 -0.17 0.40 0.09 0.00 0.00 178.44 179.32 1pr6 h ILE 77 N 0.78 1.34 0.00 1.22 2.04 -0.90 -2.15 117.51 119.84 1pr6 h ILE 77 Ca 0.20 -1.33 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1pr6 h ILE 77 Cb 0.09 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1pr6 h ILE 77 CO -0.03 0.40 -0.73 0.71 0.00 0.00 0.00 178.15 178.50 1pr6 h THR 78 N 0.06 0.44 0.00 -0.27 1.35 -1.13 -3.37 112.91 110.00 1pr6 h THR 78 Ca 0.03 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1pr6 h THR 78 Cb 0.71 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1pr6 h THR 78 CO 0.04 0.25 0.00 0.47 -0.25 0.00 0.00 175.52 176.03 1pr6 n ASP 79 N -3.01 1.05 -0.21 5.36 9.92 -0.43 -4.77 116.55 124.46 1pr6 n ASP 79 Ca -0.01 -1.18 0.02 0.00 -0.53 0.00 0.00 54.79 53.09 1pr6 n ASP 79 Cb 0.69 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.20 1pr6 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pr6 n PHE 80 N -0.09 0.00 -1.73 1.24 3.01 -0.83 -4.43 117.46 114.63 1pr6 n PHE 80 Ca 0.00 -0.29 -0.20 0.00 1.01 0.00 0.00 57.45 57.96 1pr6 n PHE 80 Cb 0.09 -0.06 -0.07 0.00 -0.01 0.00 0.00 39.48 39.42 1pr6 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr6 n GLY 81 N -0.39 1.48 3.70 1.37 0.00 -1.21 -4.61 105.19 105.53 1pr6 n GLY 81 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pr6 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pr6 s VAL 82 N -2.76 3.91 -0.17 1.61 1.01 -1.11 -4.71 120.40 118.18 1pr6 s VAL 82 Ca 0.00 1.33 0.15 0.00 0.00 0.00 0.00 61.98 63.47 1pr6 s VAL 82 Cb 0.00 -3.86 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 1pr6 s VAL 82 CO 0.00 0.06 0.05 0.29 0.00 0.00 0.00 175.10 175.50 1pr6 n LYS 83 N 4.50 1.13 -4.62 2.72 5.02 0.15 -4.51 118.16 122.55 1pr6 n LYS 83 Ca 0.11 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.15 1pr6 n LYS 83 Cb 0.45 -1.45 -0.16 0.00 -0.02 0.00 0.00 35.03 33.85 1pr6 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pr6 s LYS 84 N -2.42 1.54 -0.12 1.97 1.02 -0.71 -2.13 119.74 118.87 1pr6 s LYS 84 Ca -0.09 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1pr6 s LYS 84 Cb 0.05 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1pr6 s LYS 84 CO 0.71 0.13 -0.20 0.42 -0.92 0.00 0.00 175.35 175.49 1pr6 s ILE 85 N 0.32 2.31 -0.26 2.17 -1.09 -0.42 -1.72 121.20 122.52 1pr6 s ILE 85 Ca -0.08 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1pr6 s ILE 85 Cb -0.12 -1.92 0.06 0.00 -1.58 0.00 0.00 42.46 38.90 1pr6 s ILE 85 CO 0.02 0.54 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.58 1pr6 s ILE 86 N 0.55 1.86 0.06 2.92 1.01 -0.80 -1.53 121.20 125.27 1pr6 s ILE 86 Ca -0.12 -1.50 -0.30 0.00 0.00 0.00 0.00 60.65 58.73 1pr6 s ILE 86 Cb -0.17 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1pr6 s ILE 86 CO 0.04 -0.12 1.00 -0.60 0.00 0.00 0.00 174.94 175.26 1pr6 s ARG 87 N 1.23 4.60 -0.51 2.79 3.52 0.63 -0.88 118.95 130.34 1pr6 s ARG 87 Ca -0.06 1.48 0.03 0.00 -0.13 0.00 0.00 55.73 57.06 1pr6 s ARG 87 Cb -0.19 -3.41 0.14 0.00 -1.56 0.00 0.00 34.95 29.93 1pr6 s ARG 87 CO -0.06 0.04 0.29 0.14 -0.81 0.00 0.00 175.30 174.90 1pr6 s VAL 88 N 0.55 2.00 0.00 7.11 -7.23 -0.52 -0.77 120.40 121.54 1pr6 s VAL 88 Ca 0.50 -3.11 0.00 0.00 -1.81 0.00 0.00 61.98 57.57 1pr6 s VAL 88 Cb -0.23 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1pr6 s VAL 88 CO 0.29 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1pr6 n GLY 89 N 3.10 7.15 3.56 2.32 0.00 -0.80 -4.09 105.19 116.44 1pr6 n GLY 89 Ca 0.10 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 1pr6 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pr6 s SER 90 N 1.00 3.73 0.27 1.61 1.04 -1.26 -1.48 113.70 118.60 1pr6 s SER 90 Ca 0.00 -1.26 -0.18 0.00 0.48 0.00 0.00 55.95 54.99 1pr6 s SER 90 Cb 0.00 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1pr6 s SER 90 CO 0.00 -0.30 0.64 0.00 0.98 0.00 0.00 173.24 174.57 1pr6 s GLY 92 N -2.96 1.69 0.26 0.00 0.00 -0.54 -1.22 107.32 104.56 1pr6 s GLY 92 Ca 0.15 -0.89 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 1pr6 s GLY 92 CO 0.08 -0.58 0.58 0.00 0.00 0.00 0.00 173.10 173.18 1pr6 s ALA 93 N -0.63 3.54 0.00 3.20 0.00 -0.38 -0.30 121.76 127.19 1pr6 s ALA 93 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1pr6 s ALA 93 Cb -0.12 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1pr6 s ALA 93 CO 0.02 0.41 0.00 1.55 0.00 0.00 0.00 175.76 177.73 1pr6 n VAL 94 N -0.39 0.00 -3.02 0.00 3.14 -1.26 -1.48 118.33 115.31 1pr6 n VAL 94 Ca 0.01 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1pr6 n VAL 94 Cb 0.53 0.10 -0.06 0.00 -1.06 0.00 0.00 33.84 33.35 1pr6 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pr6 s LEU 95 N -2.54 4.41 0.27 6.55 1.43 -1.26 -4.88 118.68 122.66 1pr6 s LEU 95 Ca 0.00 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.61 1pr6 s LEU 95 Cb 0.00 -3.56 0.38 0.00 0.03 0.00 0.00 46.19 43.04 1pr6 s LEU 95 CO 0.00 0.07 1.90 -0.65 0.23 0.00 0.00 176.35 177.89 1pr6 h PRO 96 N 3.64 1.18 -0.01 1.29 0.11 -1.99 -2.72 132.00 133.50 1pr6 h PRO 96 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1pr6 h PRO 96 Cb 1.20 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1pr6 h PRO 96 CO 0.65 0.78 0.00 -2.39 -0.21 0.00 0.00 178.00 176.83 1pr6 n HIS 97 N -4.47 0.00 -3.40 0.65 1.44 -1.26 -4.74 115.22 103.45 1pr6 n HIS 97 Ca 0.15 -0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.46 1pr6 n HIS 97 Cb 0.15 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.16 1pr6 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pr6 s VAL 98 N -2.00 5.18 0.29 0.61 1.01 -1.03 -5.07 120.40 119.40 1pr6 s VAL 98 Ca 0.44 0.52 0.07 0.00 0.00 0.00 0.00 61.98 63.01 1pr6 s VAL 98 Cb 0.21 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1pr6 s VAL 98 CO 0.35 0.14 0.28 -0.54 0.00 0.00 0.00 175.10 175.34 1pr6 s LYS 99 N 2.06 2.94 0.52 2.72 -0.14 -1.26 -4.86 119.74 121.72 1pr6 s LYS 99 Ca 0.15 -1.10 -0.23 0.00 -1.36 0.00 0.00 55.97 53.43 1pr6 s LYS 99 Cb -0.16 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.33 1pr6 s LYS 99 CO 0.10 0.25 1.36 -0.51 -0.76 0.00 0.00 175.35 175.80 1pr6 s LEU 100 N -3.95 3.93 0.00 3.17 1.43 -1.26 -2.10 118.68 119.89 1pr6 s LEU 100 Ca 0.37 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 1pr6 s LEU 100 Cb -0.07 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.96 1pr6 s LEU 100 CO 0.27 -1.43 0.00 0.54 0.23 0.00 0.00 176.35 175.96 1pr6 n ARG 101 N -0.79 0.00 -1.92 1.70 1.74 -0.30 -4.99 116.66 112.11 1pr6 n ARG 101 Ca 0.09 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.79 1pr6 n ARG 101 Cb 0.44 -1.18 0.03 0.00 -1.02 0.00 0.00 32.46 30.73 1pr6 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pr6 s ASP 102 N -3.45 5.54 -0.23 0.55 1.11 -0.89 -4.71 116.67 114.58 1pr6 s ASP 102 Ca 0.00 2.64 -0.07 0.00 0.18 0.00 0.00 52.55 55.30 1pr6 s ASP 102 Cb 0.00 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1pr6 s ASP 102 CO 0.00 -1.38 0.05 -0.69 1.18 0.00 0.00 175.17 174.34 1pr6 s VAL 103 N -1.37 4.32 -0.02 -1.27 1.01 -1.26 -1.64 120.40 120.18 1pr6 s VAL 103 Ca 0.69 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.55 1pr6 s VAL 103 Cb -0.37 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1pr6 s VAL 103 CO 0.44 0.38 -0.19 0.68 0.00 0.00 0.00 175.10 176.41 1pr6 s VAL 104 N 1.25 2.64 -0.21 2.92 -7.23 -0.19 -1.70 120.40 117.89 1pr6 s VAL 104 Ca 0.04 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1pr6 s VAL 104 Cb -0.15 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1pr6 s VAL 104 CO 0.03 0.53 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.61 1pr6 s ILE 105 N -0.73 2.70 -0.69 -0.62 1.01 0.11 -1.25 121.20 121.73 1pr6 s ILE 105 Ca 0.12 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 1pr6 s ILE 105 Cb -0.10 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.22 1pr6 s ILE 105 CO 0.01 0.42 0.96 -0.83 0.00 0.00 0.00 174.94 175.49 1pr6 s GLY 106 N 1.36 1.50 0.38 6.18 0.00 -0.95 -0.92 107.32 114.87 1pr6 s GLY 106 Ca 0.04 -2.02 0.18 0.00 0.00 0.00 0.00 44.72 42.92 1pr6 s GLY 106 CO -0.08 2.00 1.76 1.98 0.00 0.00 0.00 173.10 178.76 1pr6 h MET 107 N 9.42 0.00 -4.49 2.90 4.05 -1.31 -3.41 114.93 122.09 1pr6 h MET 107 Ca -0.22 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 58.99 1pr6 h MET 107 Cb 1.07 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.72 1pr6 h MET 107 CO 1.16 0.37 -0.64 0.20 0.23 0.00 0.00 176.91 178.24 1pr6 s GLY 108 N -4.35 1.13 -0.15 1.39 0.00 -1.14 -1.47 107.32 102.72 1pr6 s GLY 108 Ca -0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 1pr6 s GLY 108 CO 0.69 -1.39 0.29 0.00 0.00 0.00 0.00 173.10 172.69 1pr6 s ALA 109 N -4.05 -0.65 0.65 3.20 0.00 -0.41 -1.83 121.76 118.67 1pr6 s ALA 109 Ca 0.28 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1pr6 s ALA 109 Cb 0.07 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 22.10 1pr6 s ALA 109 CO 0.05 -0.74 0.98 0.00 0.00 0.00 0.00 175.76 176.05 1pr6 s THR 111 N -3.15 0.00 -0.62 0.00 -1.32 -1.26 -0.32 115.64 108.96 1pr6 s THR 111 Ca 0.57 -0.03 0.09 0.00 -1.21 0.00 0.00 61.69 61.11 1pr6 s THR 111 Cb -0.11 -1.04 0.26 0.00 -1.51 0.00 0.00 72.50 70.11 1pr6 s THR 111 CO 0.46 0.00 1.21 -0.90 -2.21 0.00 0.00 174.62 173.18 1pr6 n ASP 112 N -0.30 2.80 -4.87 8.08 3.85 -1.21 -4.98 116.55 119.91 1pr6 n ASP 112 Ca -0.12 -2.14 -0.31 0.00 -0.71 0.00 0.00 54.79 51.52 1pr6 n ASP 112 Cb 0.63 -0.22 0.01 0.00 -1.35 0.00 0.00 41.12 40.19 1pr6 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pr6 s SER 113 N -1.15 6.14 0.00 -1.12 0.15 -1.26 -4.91 113.70 111.55 1pr6 s SER 113 Ca 0.20 1.36 0.21 0.00 0.70 0.00 0.00 55.95 58.43 1pr6 s SER 113 Cb 0.12 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 1pr6 s SER 113 CO 0.11 -0.91 1.06 1.17 1.20 0.00 0.00 173.24 175.87 1pr6 n LYS 114 N -2.75 1.41 -0.30 5.44 4.81 -1.26 -4.64 118.16 120.87 1pr6 n LYS 114 Ca 0.06 -1.07 0.04 0.00 -0.87 0.00 0.00 58.31 56.47 1pr6 n LYS 114 Cb 0.54 -1.43 0.19 0.00 0.02 0.00 0.00 35.03 34.35 1pr6 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pr6 h VAL 115 N 2.56 0.87 0.00 3.15 -1.51 -2.00 -1.61 116.25 117.71 1pr6 h VAL 115 Ca 0.00 -0.26 -0.12 0.00 -1.23 0.00 0.00 66.70 65.08 1pr6 h VAL 115 Cb 0.74 0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 29.91 1pr6 h VAL 115 CO 0.00 0.14 -0.59 0.78 -1.23 0.00 0.00 177.57 176.67 1pr6 h ASN 116 N 0.77 0.00 0.34 4.19 -0.26 -1.94 -2.71 115.58 115.96 1pr6 h ASN 116 Ca 0.42 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.04 1pr6 h ASN 116 Cb 0.45 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1pr6 h ASN 116 CO -0.28 0.59 -0.52 0.03 -1.06 0.00 0.00 177.43 176.20 1pr6 h ARG 117 N 0.00 0.20 -0.16 0.81 3.08 -1.63 0.59 114.38 117.27 1pr6 h ARG 117 Ca -0.01 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1pr6 h ARG 117 Cb 1.19 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1pr6 h ARG 117 CO 0.08 0.67 -0.34 0.82 -1.07 0.00 0.00 179.97 180.13 1pr6 h ILE 118 N 0.16 1.28 0.03 2.04 2.04 -1.13 0.32 117.51 122.25 1pr6 h ILE 118 Ca 0.00 -1.38 -0.25 0.00 1.00 0.00 0.00 64.86 64.23 1pr6 h ILE 118 Cb 0.97 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1pr6 h ILE 118 CO 0.08 0.42 -1.27 0.03 0.00 0.00 0.00 178.15 177.41 1pr6 h ARG 119 N 0.29 0.06 -0.80 2.37 3.08 -1.17 -3.39 114.38 114.82 1pr6 h ARG 119 Ca 0.04 -0.10 -0.51 0.00 0.07 0.00 0.00 59.98 59.48 1pr6 h ARG 119 Cb 0.74 0.04 -0.28 0.00 0.08 0.00 0.00 29.97 30.55 1pr6 h ARG 119 CO 0.06 0.91 0.28 0.34 -1.07 0.00 0.00 179.97 180.49 1pr6 n PHE 120 N -3.31 2.61 -3.93 3.04 7.35 0.17 -4.94 117.46 118.45 1pr6 n PHE 120 Ca -0.07 -2.30 -0.31 0.00 -0.76 0.00 0.00 57.45 54.01 1pr6 n PHE 120 Cb 0.99 -0.91 0.02 0.00 0.35 0.00 0.00 39.48 39.93 1pr6 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pr6 n LYS 121 N -0.98 -5.46 -1.39 -4.13 4.76 -1.12 -1.86 118.16 107.98 1pr6 n LYS 121 Ca 0.52 0.59 -0.13 0.00 -2.87 0.00 0.00 58.31 56.41 1pr6 n LYS 121 Cb 1.02 -5.48 -0.06 0.00 -1.84 0.00 0.00 35.03 28.67 1pr6 n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pr6 n ASP 122 N -2.83 -4.98 -2.60 4.39 4.64 0.11 -5.00 116.55 110.28 1pr6 n ASP 122 Ca 0.05 0.33 -0.04 0.00 -1.38 0.00 0.00 54.79 53.75 1pr6 n ASP 122 Cb 0.52 -3.66 0.01 0.00 -1.04 0.00 0.00 41.12 36.95 1pr6 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pr6 n HIS 123 N -2.49 -2.49 -3.22 -0.67 8.25 -0.78 -5.01 115.22 108.81 1pr6 n HIS 123 Ca -0.13 -0.45 -0.43 0.00 -0.26 0.00 0.00 57.72 56.45 1pr6 n HIS 123 Cb 0.50 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 1pr6 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pr6 s ASP 124 N -1.72 6.24 -0.25 0.41 -0.00 -1.26 -4.60 116.67 115.48 1pr6 s ASP 124 Ca 0.11 -0.66 -0.13 0.00 -0.00 0.00 0.00 52.55 51.87 1pr6 s ASP 124 Cb -0.01 -2.27 -0.04 0.00 -0.00 0.00 0.00 42.92 40.60 1pr6 s ASP 124 CO 0.07 -0.72 0.30 0.12 -0.00 0.00 0.00 175.17 174.93 1pr6 s PHE 125 N 2.46 3.28 -0.63 4.23 5.36 -1.26 -5.03 117.98 126.39 1pr6 s PHE 125 Ca 0.16 0.35 -0.28 0.00 -0.96 0.00 0.00 56.93 56.20 1pr6 s PHE 125 Cb -0.17 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1pr6 s PHE 125 CO 0.15 -0.11 1.25 0.00 -1.46 0.00 0.00 175.22 175.05 1pr6 s ALA 126 N 1.65 2.89 -0.58 11.12 0.00 -1.26 -4.95 121.76 130.62 1pr6 s ALA 126 Ca 0.13 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 1pr6 s ALA 126 Cb -0.15 -4.12 0.01 0.00 0.00 0.00 0.00 23.12 18.86 1pr6 s ALA 126 CO 0.09 -2.90 1.49 0.00 0.00 0.00 0.00 175.76 174.44 1pr6 s ALA 127 N 5.38 2.69 0.25 0.00 0.00 -1.26 -4.98 121.76 123.83 1pr6 s ALA 127 Ca 0.42 -0.72 0.11 0.00 0.00 0.00 0.00 51.96 51.77 1pr6 s ALA 127 Cb -0.08 -4.16 -0.05 0.00 0.00 0.00 0.00 23.12 18.84 1pr6 s ALA 127 CO 0.22 -3.14 -0.20 0.96 0.00 0.00 0.00 175.76 173.61 1pr6 s ILE 128 N 6.59 2.31 0.73 0.00 -4.36 -1.26 -1.29 121.20 123.91 1pr6 s ILE 128 Ca 0.54 -2.29 -0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1pr6 s ILE 128 Cb -0.11 -2.20 0.11 0.00 1.25 0.00 0.00 42.46 41.50 1pr6 s ILE 128 CO 0.23 -0.38 1.03 0.00 0.24 0.00 0.00 174.94 176.06 1pr6 s ALA 129 N -2.42 3.34 -0.03 2.27 0.00 -0.54 -4.89 121.76 119.48 1pr6 s ALA 129 Ca 0.26 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1pr6 s ALA 129 Cb -0.05 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1pr6 s ALA 129 CO 0.12 -1.49 1.19 0.34 0.00 0.00 0.00 175.76 175.92 1pr6 s ASP 130 N -4.67 7.07 0.17 0.00 -1.08 -0.88 -4.95 116.67 112.33 1pr6 s ASP 130 Ca 0.65 1.84 -0.15 0.00 -0.52 0.00 0.00 52.55 54.36 1pr6 s ASP 130 Cb -0.07 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 38.93 1pr6 s ASP 130 CO 0.45 -0.55 1.73 0.15 0.52 0.00 0.00 175.17 177.47 1pr6 h PHE 131 N 7.32 0.15 -0.90 -5.34 3.57 -1.96 -2.23 116.94 117.55 1pr6 h PHE 131 Ca -0.36 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.22 1pr6 h PHE 131 Cb 1.17 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1pr6 h PHE 131 CO 0.72 0.03 0.57 -0.44 -2.23 0.00 0.00 178.31 176.96 1pr6 h ASP 132 N 0.22 0.93 -0.20 0.41 3.45 -1.99 -0.96 116.42 118.28 1pr6 h ASP 132 Ca 0.19 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 1pr6 h ASP 132 Cb 0.22 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 1pr6 h ASP 132 CO -0.24 0.61 -0.09 0.24 -1.57 0.00 0.00 179.24 178.19 1pr6 h MET 133 N 1.07 0.56 -0.15 3.56 2.86 -1.84 0.43 114.93 121.42 1pr6 h MET 133 Ca 0.38 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1pr6 h MET 133 Cb 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1pr6 h MET 133 CO -0.15 0.65 -0.02 0.28 1.06 0.00 0.00 176.91 178.72 1pr6 h VAL 134 N 0.52 1.28 -0.67 -2.22 2.07 -0.76 -2.23 116.25 114.24 1pr6 h VAL 134 Ca 0.10 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1pr6 h VAL 134 Cb 0.47 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1pr6 h VAL 134 CO 0.03 0.28 0.43 -0.09 0.02 0.00 0.00 177.57 178.23 1pr6 h ARG 135 N -0.01 0.89 -0.50 1.57 2.43 -0.95 -1.68 114.38 116.12 1pr6 h ARG 135 Ca 0.04 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1pr6 h ARG 135 Cb 0.43 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1pr6 h ARG 135 CO 0.01 0.60 0.22 -0.91 -1.51 0.00 0.00 179.97 178.39 1pr6 h ASN 136 N 0.91 0.29 -0.55 -3.80 2.35 -0.81 -1.73 115.58 112.24 1pr6 h ASN 136 Ca 0.24 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1pr6 h ASN 136 Cb -0.08 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1pr6 h ASN 136 CO -0.05 0.20 0.04 0.00 -1.65 0.00 0.00 177.43 175.97 1pr6 h ALA 137 N 1.30 0.97 -0.31 -0.83 0.00 -0.99 -1.03 119.26 118.36 1pr6 h ALA 137 Ca 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1pr6 h ALA 137 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pr6 h ALA 137 CO -0.19 0.63 0.11 0.28 0.00 0.00 0.00 179.25 180.08 1pr6 h VAL 138 N 0.91 1.19 -0.38 0.00 2.07 -0.95 -1.52 116.25 117.58 1pr6 h VAL 138 Ca 0.17 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1pr6 h VAL 138 Cb 0.48 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1pr6 h VAL 138 CO 0.02 0.21 0.09 0.44 0.02 0.00 0.00 177.57 178.35 1pr6 h ASP 139 N 0.35 0.58 -0.32 0.57 3.45 -1.20 -1.96 116.42 117.90 1pr6 h ASP 139 Ca 0.10 -0.24 0.04 0.00 0.43 0.00 0.00 57.03 57.37 1pr6 h ASP 139 Cb 0.21 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.79 1pr6 h ASP 139 CO -0.01 0.67 0.07 0.00 -1.57 0.00 0.00 179.24 178.40 1pr6 h ALA 140 N 0.94 0.34 -0.38 3.45 0.00 -1.12 -0.68 119.26 121.80 1pr6 h ALA 140 Ca 0.12 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1pr6 h ALA 140 Cb 0.31 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1pr6 h ALA 140 CO 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 179.25 178.85 1pr6 h ALA 141 N 1.23 0.29 -0.57 0.00 0.00 -1.06 -1.18 119.26 117.98 1pr6 h ALA 141 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1pr6 h ALA 141 Cb 0.16 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pr6 h ALA 141 CO -0.19 -0.44 0.36 -0.22 0.00 0.00 0.00 179.25 178.77 1pr6 h LYS 142 N 0.03 0.75 0.00 0.00 3.64 -0.71 -1.09 116.57 119.20 1pr6 h LYS 142 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1pr6 h LYS 142 Cb 0.28 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1pr6 h LYS 142 CO -0.36 0.52 -0.04 0.00 -2.27 0.00 0.00 179.45 177.29 1pr6 h ALA 143 N 1.19 1.92 -0.02 5.00 0.00 -0.43 -0.93 119.26 126.00 1pr6 h ALA 143 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pr6 h ALA 143 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pr6 h ALA 143 CO -0.04 0.05 -0.08 1.28 0.00 0.00 0.00 179.25 180.46 1pr6 n LEU 144 N -4.48 1.64 -1.05 0.00 4.77 -0.51 -4.94 117.00 112.43 1pr6 n LEU 144 Ca -0.03 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.30 1pr6 n LEU 144 Cb 0.12 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1pr6 n LEU 144 CO 0.34 0.28 -0.12 0.61 -1.33 0.00 0.00 177.39 177.17 1pr6 n GLY 145 N 1.25 0.81 3.70 -0.72 0.00 -0.36 -5.01 105.19 104.86 1pr6 n GLY 145 Ca 0.16 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1pr6 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr6 s ILE 146 N -2.49 4.61 0.56 -0.61 1.01 -0.53 -5.02 121.20 118.74 1pr6 s ILE 146 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1pr6 s ILE 146 Cb 0.00 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 1pr6 s ILE 146 CO 0.00 0.57 1.02 -1.81 0.00 0.00 0.00 174.94 174.72 1pr6 s ASP 147 N -0.55 6.18 -0.29 3.58 -0.00 -1.26 -4.23 116.67 120.11 1pr6 s ASP 147 Ca 0.10 1.69 -0.16 0.00 -0.00 0.00 0.00 52.55 54.19 1pr6 s ASP 147 Cb -0.12 -2.52 0.12 0.00 -0.00 0.00 0.00 42.92 40.40 1pr6 s ASP 147 CO 0.02 -0.89 0.86 0.00 -0.00 0.00 0.00 175.17 175.16 1pr6 s ALA 148 N -2.55 -2.15 0.07 5.23 0.00 -1.26 -4.34 121.76 116.77 1pr6 s ALA 148 Ca 0.61 2.28 -0.09 0.00 0.00 0.00 0.00 51.96 54.77 1pr6 s ALA 148 Cb -0.13 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1pr6 s ALA 148 CO 0.35 -0.40 0.36 1.03 0.00 0.00 0.00 175.76 177.10 1pr6 s ARG 149 N 1.54 3.70 -0.15 0.00 0.52 -0.69 -4.93 118.95 118.94 1pr6 s ARG 149 Ca -0.09 0.09 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1pr6 s ARG 149 Cb -0.04 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 1pr6 s ARG 149 CO -0.17 0.58 -0.12 0.08 0.02 0.00 0.00 175.30 175.68 1pr6 s VAL 150 N -1.39 3.01 -0.51 3.52 1.01 -1.26 0.05 120.40 124.83 1pr6 s VAL 150 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1pr6 s VAL 150 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1pr6 s VAL 150 CO 0.18 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1pr6 n GLY 151 N 3.84 -0.72 3.83 4.51 0.00 -0.09 -4.92 105.19 111.63 1pr6 n GLY 151 Ca -0.18 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1pr6 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pr6 s ASN 152 N -4.00 6.96 0.39 1.61 0.01 -1.26 -0.81 114.94 117.83 1pr6 s ASN 152 Ca 0.00 1.19 0.08 0.00 -0.71 0.00 0.00 52.86 53.41 1pr6 s ASN 152 Cb 0.00 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1pr6 s ASN 152 CO 0.00 0.19 0.16 -0.76 -1.51 0.00 0.00 177.10 175.17 1pr6 s LEU 153 N -1.53 3.13 -0.12 0.60 1.43 -0.76 -1.46 118.68 119.97 1pr6 s LEU 153 Ca 0.34 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1pr6 s LEU 153 Cb -0.17 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1pr6 s LEU 153 CO 0.19 -0.47 -0.09 0.12 0.23 0.00 0.00 176.35 176.33 1pr6 s PHE 154 N -2.56 1.64 -0.46 0.29 5.36 -0.51 -0.34 117.98 121.41 1pr6 s PHE 154 Ca 0.40 -0.85 -0.17 0.00 -0.96 0.00 0.00 56.93 55.36 1pr6 s PHE 154 Cb 0.02 -1.31 0.05 0.00 -0.34 0.00 0.00 43.02 41.44 1pr6 s PHE 154 CO 0.22 -0.55 0.45 -1.12 -1.46 0.00 0.00 175.22 172.77 1pr6 s SER 155 N 1.64 6.17 0.11 6.13 0.01 0.56 -1.09 113.70 127.23 1pr6 s SER 155 Ca 0.05 -1.03 -0.10 0.00 1.31 0.00 0.00 55.95 56.18 1pr6 s SER 155 Cb -0.13 -2.22 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 1pr6 s SER 155 CO -0.09 -0.67 0.43 0.00 0.41 0.00 0.00 173.24 173.32 1pr6 s ALA 156 N 2.00 3.70 0.00 1.44 0.00 0.02 -3.35 121.76 125.58 1pr6 s ALA 156 Ca 0.09 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 51.79 1pr6 s ALA 156 Cb -0.21 -2.30 -0.21 0.00 0.00 0.00 0.00 23.12 20.40 1pr6 s ALA 156 CO 0.10 0.56 0.88 -0.44 0.00 0.00 0.00 175.76 176.86 1pr6 h ASP 157 N 3.50 0.00 -3.76 0.00 3.45 -1.90 -3.41 116.42 114.29 1pr6 h ASP 157 Ca -0.48 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.29 1pr6 h ASP 157 Cb 1.19 0.00 -0.33 0.00 -0.56 0.00 0.00 39.33 39.62 1pr6 h ASP 157 CO 0.67 0.97 -0.70 -0.76 -1.57 0.00 0.00 179.24 177.85 1pr6 s LEU 158 N -6.28 3.94 0.24 1.55 1.43 -1.26 -4.95 118.68 113.35 1pr6 s LEU 158 Ca -0.03 -1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 51.68 1pr6 s LEU 158 Cb 0.09 -1.70 0.25 0.00 0.03 0.00 0.00 46.19 44.85 1pr6 s LEU 158 CO 0.82 -0.27 1.84 0.15 0.23 0.00 0.00 176.35 179.12 1pr6 h PHE 159 N 7.97 1.16 -3.64 0.29 3.04 -1.98 -3.21 116.94 120.58 1pr6 h PHE 159 Ca -0.20 -0.05 -0.76 0.00 3.98 0.00 0.00 57.97 60.94 1pr6 h PHE 159 Cb 1.06 -0.36 -0.30 0.00 2.56 0.00 0.00 35.95 38.91 1pr6 h PHE 159 CO 0.61 0.84 0.03 0.71 -2.02 0.00 0.00 178.31 178.48 1pr6 s TYR 160 N -5.67 3.80 0.15 0.41 2.02 -1.26 -5.06 117.35 111.74 1pr6 s TYR 160 Ca -0.12 -2.46 -0.26 0.00 -0.37 0.00 0.00 57.07 53.87 1pr6 s TYR 160 Cb 0.16 -3.59 -0.08 0.00 -0.40 0.00 0.00 41.96 38.05 1pr6 s TYR 160 CO 0.83 -0.91 0.79 0.45 -1.57 0.00 0.00 175.55 175.13 1pr6 s SER 161 N 1.30 7.38 0.00 2.29 0.15 -1.21 -4.96 113.70 118.65 1pr6 s SER 161 Ca 0.22 1.63 0.28 0.00 0.70 0.00 0.00 55.95 58.78 1pr6 s SER 161 Cb -0.12 -2.50 1.14 0.00 -1.71 0.00 0.00 66.02 62.83 1pr6 s SER 161 CO -0.08 0.17 1.84 -0.81 1.20 0.00 0.00 173.24 175.56 1pr6 n PRO 162 N 1.79 0.23 -3.67 5.44 -0.04 -1.26 -4.47 135.00 133.02 1pr6 n PRO 162 Ca -0.05 -0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 1pr6 n PRO 162 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1pr6 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pr6 s ASP 163 N -2.80 5.54 0.46 3.54 3.68 -1.26 -4.91 116.67 120.92 1pr6 s ASP 163 Ca 0.19 -3.13 0.26 0.00 2.13 0.00 0.00 52.55 52.00 1pr6 s ASP 163 Cb 0.19 -1.89 0.91 0.00 -1.45 0.00 0.00 42.92 40.68 1pr6 s ASP 163 CO 0.54 -0.32 1.81 1.23 0.13 0.00 0.00 175.17 178.56 1pr6 h GLY 164 N 6.73 0.00 2.00 2.66 0.00 -2.03 -3.04 103.07 109.39 1pr6 h GLY 164 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1pr6 h GLY 164 CO 0.75 0.00 -0.19 -2.09 0.00 0.00 0.00 176.54 175.01 1pr6 h GLU 165 N 0.00 0.00 -0.03 4.80 4.22 -1.98 -2.66 114.58 118.93 1pr6 h GLU 165 Ca -0.00 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1pr6 h GLU 165 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pr6 h GLU 165 CO 0.02 0.19 0.05 1.98 -2.18 0.00 0.00 179.01 179.07 1pr6 h MET 166 N 0.00 0.00 0.00 1.92 4.05 -1.96 -0.64 114.93 118.30 1pr6 h MET 166 Ca -0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 1pr6 h MET 166 Cb 0.44 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1pr6 h MET 166 CO 0.02 0.00 -0.40 0.74 0.23 0.00 0.00 176.91 177.51 1pr6 h PHE 167 N 0.00 0.00 -0.33 1.39 0.05 -1.69 -0.85 116.94 115.52 1pr6 h PHE 167 Ca 0.01 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.67 1pr6 h PHE 167 Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 1pr6 h PHE 167 CO 0.00 0.40 -0.34 -0.44 -0.18 0.00 0.00 178.31 177.74 1pr6 h ASP 168 N 0.00 0.76 -0.37 2.17 3.45 -1.29 -0.80 116.42 120.34 1pr6 h ASP 168 Ca -0.00 -0.32 -0.14 0.00 0.43 0.00 0.00 57.03 57.00 1pr6 h ASP 168 Cb 0.73 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1pr6 h ASP 168 CO 0.05 1.04 -0.30 0.58 -1.57 0.00 0.00 179.24 179.04 1pr6 h VAL 169 N 0.61 1.28 -0.10 -1.35 2.07 -1.43 0.45 116.25 117.79 1pr6 h VAL 169 Ca 0.06 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1pr6 h VAL 169 Cb 0.87 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1pr6 h VAL 169 CO 0.08 0.49 0.06 0.24 0.02 0.00 0.00 177.57 178.45 1pr6 h MET 170 N 0.65 0.14 -0.27 1.57 2.86 -1.02 -1.74 114.93 117.12 1pr6 h MET 170 Ca 0.07 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1pr6 h MET 170 Cb 0.88 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1pr6 h MET 170 CO 0.08 0.15 0.16 1.49 1.06 0.00 0.00 176.91 179.85 1pr6 h GLU 171 N 0.09 0.32 -0.94 1.72 4.81 -1.06 -1.95 114.58 117.57 1pr6 h GLU 171 Ca 0.04 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1pr6 h GLU 171 Cb 0.05 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 1pr6 h GLU 171 CO -0.01 0.21 0.60 -0.22 -0.73 0.00 0.00 179.01 178.87 1pr6 h LYS 172 N 0.33 0.73 -0.65 1.92 1.63 -0.67 -1.55 116.57 118.31 1pr6 h LYS 172 Ca 0.10 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1pr6 h LYS 172 Cb -0.01 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1pr6 h LYS 172 CO -0.04 0.49 0.00 0.66 -3.45 0.00 0.00 179.45 177.11 1pr6 n TYR 173 N -4.61 1.52 -2.11 1.91 4.01 -0.67 -4.96 117.16 112.25 1pr6 n TYR 173 Ca 0.19 -0.55 -0.10 0.00 -0.16 0.00 0.00 57.90 57.28 1pr6 n TYR 173 Cb 0.48 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1pr6 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pr6 n GLY 174 N 0.71 0.06 3.69 2.72 0.00 -0.58 -4.99 105.19 106.80 1pr6 n GLY 174 Ca 0.22 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1pr6 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr6 s ILE 175 N -2.48 3.03 0.04 -0.61 -1.09 -0.78 -4.62 121.20 114.69 1pr6 s ILE 175 Ca 0.00 0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 58.82 1pr6 s ILE 175 Cb 0.00 -3.32 -0.32 0.00 -1.58 0.00 0.00 42.46 37.24 1pr6 s ILE 175 CO 0.00 -0.00 1.00 -0.07 -1.23 0.00 0.00 174.94 174.64 1pr6 h LEU 176 N 8.48 0.64 -7.36 2.97 3.38 -1.61 -3.41 115.31 118.40 1pr6 h LEU 176 Ca -0.42 -0.72 -0.11 0.00 0.09 0.00 0.00 57.88 56.72 1pr6 h LEU 176 Cb 1.20 -0.21 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1pr6 h LEU 176 CO 0.93 1.57 -0.20 -0.83 0.09 0.00 0.00 178.44 180.00 1pr6 s GLY 177 N -4.71 -0.27 -0.28 0.83 0.00 -1.26 -4.50 107.32 97.13 1pr6 s GLY 177 Ca -0.08 0.80 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 1pr6 s GLY 177 CO 0.91 0.59 0.13 0.14 0.00 0.00 0.00 173.10 174.87 1pr6 s VAL 178 N -0.68 4.67 0.00 1.40 1.01 0.59 -1.42 120.40 125.97 1pr6 s VAL 178 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1pr6 s VAL 178 Cb -0.04 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1pr6 s VAL 178 CO 0.03 0.19 0.00 -1.84 0.00 0.00 0.00 175.10 173.49 1pr6 n GLU 179 N 4.98 0.68 -0.33 2.72 -0.00 -0.25 -1.46 120.64 126.99 1pr6 n GLU 179 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.02 1pr6 n GLU 179 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.96 1pr6 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pr6 n MET 180 N 0.00 0.25 0.00 3.44 2.81 -1.26 -0.80 117.12 121.56 1pr6 n MET 180 Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 1pr6 n MET 180 Cb 0.00 -0.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 1pr6 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pr6 n GLU 181 N -0.18 0.69 -0.21 0.03 4.71 -1.26 -2.17 120.64 122.25 1pr6 n GLU 181 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.11 1pr6 n GLU 181 Cb 0.64 -0.63 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 1pr6 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pr6 n ALA 182 N -1.20 -0.32 -0.13 0.62 0.00 -1.26 -0.80 120.51 117.41 1pr6 n ALA 182 Ca 0.00 0.43 0.16 0.00 0.00 0.00 0.00 53.44 54.03 1pr6 n ALA 182 Cb 0.13 0.12 0.54 0.00 0.00 0.00 0.00 19.45 20.24 1pr6 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pr6 h ALA 183 N -0.12 2.18 -0.14 0.00 0.00 -1.84 -0.33 119.26 119.02 1pr6 h ALA 183 Ca 0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1pr6 h ALA 183 Cb 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pr6 h ALA 183 CO -0.47 -0.37 -0.18 0.78 0.00 0.00 0.00 179.25 179.00 1pr6 h GLY 184 N 0.34 0.40 1.03 0.00 0.00 -1.33 -2.23 103.07 101.28 1pr6 h GLY 184 Ca 0.35 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1pr6 h GLY 184 CO -0.10 0.39 0.32 -2.22 0.00 0.00 0.00 176.54 174.93 1pr6 h ILE 185 N -0.03 1.25 -0.28 2.60 2.04 -0.07 -1.97 117.51 121.05 1pr6 h ILE 185 Ca 0.02 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1pr6 h ILE 185 Cb 0.74 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1pr6 h ILE 185 CO 0.04 0.31 -0.10 1.88 0.00 0.00 0.00 178.15 180.29 1pr6 h TYR 186 N 1.08 0.50 -0.40 1.37 0.99 -1.13 -1.21 116.97 118.17 1pr6 h TYR 186 Ca 0.25 -0.07 -0.12 0.00 2.00 0.00 0.00 58.73 60.80 1pr6 h TYR 186 Cb 0.19 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.77 1pr6 h TYR 186 CO 0.02 0.56 -0.20 0.78 -0.00 0.00 0.00 178.16 179.31 1pr6 h GLY 187 N 0.88 0.91 0.98 3.88 0.00 -0.88 -2.63 103.07 106.21 1pr6 h GLY 187 Ca 0.09 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1pr6 h GLY 187 CO 0.02 0.75 0.02 -2.08 0.00 0.00 0.00 176.54 175.26 1pr6 h VAL 188 N 0.65 1.26 -0.88 4.60 2.07 -1.10 -1.24 116.25 121.61 1pr6 h VAL 188 Ca 0.09 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1pr6 h VAL 188 Cb 0.76 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1pr6 h VAL 188 CO 0.06 0.35 0.58 0.00 0.02 0.00 0.00 177.57 178.58 1pr6 h ALA 189 N 0.92 1.45 -0.18 1.67 0.00 -1.19 0.24 119.26 122.17 1pr6 h ALA 189 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1pr6 h ALA 189 Cb 0.46 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pr6 h ALA 189 CO 0.02 0.47 -0.63 0.00 0.00 0.00 0.00 179.25 179.10 1pr6 h ALA 190 N 1.48 0.32 -0.38 0.00 0.00 -1.27 0.05 119.26 119.46 1pr6 h ALA 190 Ca 0.35 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1pr6 h ALA 190 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pr6 h ALA 190 CO -0.11 0.59 -0.28 1.49 0.00 0.00 0.00 179.25 180.94 1pr6 h GLU 191 N 0.46 0.87 -0.37 0.00 4.81 -0.80 -3.29 114.58 116.26 1pr6 h GLU 191 Ca -0.03 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1pr6 h GLU 191 Cb 1.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1pr6 h GLU 191 CO 0.13 1.06 0.00 1.19 -0.73 0.00 0.00 179.01 180.67 1pr6 n PHE 192 N -4.17 0.48 -2.47 0.92 3.01 0.04 -5.02 117.46 110.25 1pr6 n PHE 192 Ca -0.02 -0.24 -0.06 0.00 1.01 0.00 0.00 57.45 58.14 1pr6 n PHE 192 Cb 0.48 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.98 1pr6 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr6 n GLY 193 N 1.47 0.19 0.00 1.37 0.00 -0.49 -4.94 105.19 102.79 1pr6 n GLY 193 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1pr6 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr6 n ALA 194 N -2.04 0.00 -2.58 4.61 0.00 -0.12 -5.05 120.51 115.34 1pr6 n ALA 194 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1pr6 n ALA 194 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1pr6 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pr6 s LYS 195 N -1.58 1.10 0.12 0.00 1.02 -0.91 -4.59 119.74 114.90 1pr6 s LYS 195 Ca 0.00 -0.85 -0.09 0.00 0.02 0.00 0.00 55.97 55.05 1pr6 s LYS 195 Cb 0.00 -1.17 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 1pr6 s LYS 195 CO 0.00 0.29 0.23 0.00 -0.92 0.00 0.00 175.35 174.95 1pr6 s ALA 196 N -0.86 -0.13 -0.20 5.17 0.00 -1.26 -1.30 121.76 123.18 1pr6 s ALA 196 Ca 0.04 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 1pr6 s ALA 196 Cb -0.08 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.73 1pr6 s ALA 196 CO 0.02 -0.56 0.55 -1.17 0.00 0.00 0.00 175.76 174.59 1pr6 s LEU 197 N -2.90 -0.09 -0.14 0.00 2.96 -0.58 -2.08 118.68 115.84 1pr6 s LEU 197 Ca 0.10 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1pr6 s LEU 197 Cb 0.04 1.89 -0.00 0.00 0.50 0.00 0.00 46.19 48.62 1pr6 s LEU 197 CO -0.07 -0.21 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.69 1pr6 s THR 198 N 0.20 2.57 -0.02 3.68 2.01 -1.26 -0.27 115.64 122.55 1pr6 s THR 198 Ca -0.01 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.25 1pr6 s THR 198 Cb -0.04 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1pr6 s THR 198 CO 0.01 0.53 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.61 1pr6 s ILE 199 N 0.63 1.81 0.06 1.82 1.01 0.05 -2.23 121.20 124.36 1pr6 s ILE 199 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1pr6 s ILE 199 Cb -0.16 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1pr6 s ILE 199 CO 0.03 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 175.43 1pr6 s THR 201 N -3.24 2.43 -0.19 0.00 2.01 -0.55 -1.02 115.64 115.07 1pr6 s THR 201 Ca 0.04 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.93 1pr6 s THR 201 Cb 0.03 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1pr6 s THR 201 CO -0.06 0.52 2.09 -0.69 -0.69 0.00 0.00 174.62 175.79 1pr6 s VAL 202 N 1.11 3.11 -1.09 3.82 1.01 -0.65 -2.53 120.40 125.18 1pr6 s VAL 202 Ca 0.00 0.11 0.15 0.00 0.00 0.00 0.00 61.98 62.24 1pr6 s VAL 202 Cb -0.14 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1pr6 s VAL 202 CO -0.06 -0.07 0.73 -1.54 0.00 0.00 0.00 175.10 174.16 1pr6 n SER 203 N 10.70 1.20 -3.49 3.32 3.41 -0.35 -1.15 113.62 127.26 1pr6 n SER 203 Ca 0.27 -1.10 -0.13 0.00 -0.26 0.00 0.00 58.87 57.64 1pr6 n SER 203 Cb 0.45 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 65.04 1pr6 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pr6 s ASP 204 N -2.01 -0.54 -0.22 4.04 -4.77 -1.20 -2.06 116.67 109.92 1pr6 s ASP 204 Ca 0.10 0.16 -0.00 0.00 -3.30 0.00 0.00 52.55 49.50 1pr6 s ASP 204 Cb 0.11 0.56 0.02 0.00 -1.09 0.00 0.00 42.92 42.53 1pr6 s ASP 204 CO 0.46 -0.84 -0.12 -2.28 0.70 0.00 0.00 175.17 173.08 1pr6 s HIS 205 N -2.98 2.96 0.45 2.11 2.46 -0.77 -1.25 115.29 118.26 1pr6 s HIS 205 Ca -0.02 -1.64 0.11 0.00 0.47 0.00 0.00 55.06 53.98 1pr6 s HIS 205 Cb -0.01 -1.99 1.02 0.00 -0.13 0.00 0.00 32.58 31.48 1pr6 s HIS 205 CO -0.06 -0.76 2.07 0.82 -2.47 0.00 0.00 174.74 174.33 1pr6 h ILE 206 N 6.10 1.02 0.00 0.89 2.04 -1.58 0.55 117.51 126.53 1pr6 h ILE 206 Ca -0.37 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1pr6 h ILE 206 Cb 1.12 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1pr6 h ILE 206 CO 0.59 0.07 -0.34 0.03 0.00 0.00 0.00 178.15 178.49 1pr6 h ARG 207 N 0.37 0.00 0.00 2.37 -0.00 -1.90 -3.38 114.38 111.83 1pr6 h ARG 207 Ca 0.14 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.62 1pr6 h ARG 207 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.08 1pr6 h ARG 207 CO -0.03 0.64 -0.02 1.79 0.00 0.00 0.00 179.97 182.35 1pr6 h THR 208 N -1.00 0.04 -0.11 2.04 1.35 -1.92 -3.47 112.91 109.85 1pr6 h THR 208 Ca -0.08 -0.94 -0.05 0.00 -0.55 0.00 0.00 66.41 64.80 1pr6 h THR 208 Cb 0.77 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 1pr6 h THR 208 CO -0.05 0.02 -0.04 1.41 -0.25 0.00 0.00 175.52 176.61 1pr6 n HIS 209 N -3.11 0.00 -2.35 4.73 8.25 0.19 -5.00 115.22 117.93 1pr6 n HIS 209 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 1pr6 n HIS 209 Cb 0.48 -0.93 -0.02 0.00 1.12 0.00 0.00 29.99 30.64 1pr6 n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1pr6 s GLU 210 N -1.27 3.89 0.16 -0.41 2.12 -1.24 -4.80 118.70 117.14 1pr6 s GLU 210 Ca 0.00 1.68 0.08 0.00 0.36 0.00 0.00 54.97 57.09 1pr6 s GLU 210 Cb 0.00 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1pr6 s GLU 210 CO 0.00 -0.42 -0.17 -0.65 -0.54 0.00 0.00 175.26 173.48 1pr6 s GLN 211 N -2.65 1.24 0.00 4.30 -1.52 -1.26 -1.85 119.66 117.91 1pr6 s GLN 211 Ca 0.62 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.64 1pr6 s GLN 211 Cb -0.26 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.28 1pr6 s GLN 211 CO 0.32 0.25 0.00 0.25 -0.25 0.00 0.00 175.29 175.86 1pr6 n THR 212 N 0.28 0.00 0.00 -0.19 -2.24 -0.87 -4.99 114.28 106.27 1pr6 n THR 212 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1pr6 n THR 212 Cb 0.57 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1pr6 n THR 212 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pr6 n GLN 218 N 0.00 0.00 0.00 -0.78 1.13 -1.26 -5.12 117.38 111.35 1pr6 n GLN 218 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pr6 n GLN 218 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1pr6 n GLN 218 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1pr6 n THR 219 N 0.00 0.00 0.26 5.09 -2.24 -1.26 -4.36 114.28 111.77 1pr6 n THR 219 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1pr6 n THR 219 Cb 0.00 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 68.79 1pr6 n THR 219 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1pr6 h THR 220 N 0.00 0.09 -0.23 4.28 2.02 -2.04 -2.85 112.91 114.19 1pr6 h THR 220 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1pr6 h THR 220 Cb 0.00 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1pr6 h THR 220 CO 0.00 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.42 1pr6 n PHE 221 N -3.14 0.28 -0.27 3.16 3.01 -1.26 -4.59 117.46 114.65 1pr6 n PHE 221 Ca 0.01 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1pr6 n PHE 221 Cb 0.37 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.96 1pr6 n PHE 221 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1pr6 h ASN 222 N 4.21 0.69 -0.54 4.37 2.35 -1.86 -0.21 115.58 124.59 1pr6 h ASN 222 Ca 0.00 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1pr6 h ASN 222 Cb 0.91 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1pr6 h ASN 222 CO 0.00 0.44 0.20 0.44 -1.65 0.00 0.00 177.43 176.86 1pr6 h ASP 223 N 0.82 0.76 -0.15 5.81 3.32 -1.83 -1.74 116.42 123.42 1pr6 h ASP 223 Ca 0.35 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1pr6 h ASP 223 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pr6 h ASP 223 CO -0.19 0.74 0.10 -0.03 -1.72 0.00 0.00 179.24 178.14 1pr6 h MET 224 N 0.74 0.20 -0.91 3.56 1.85 -1.77 -1.75 114.93 116.87 1pr6 h MET 224 Ca 0.18 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.28 1pr6 h MET 224 Cb 0.23 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.16 1pr6 h MET 224 CO -0.01 0.15 0.60 0.82 -0.40 0.00 0.00 176.91 178.07 1pr6 h ILE 225 N 0.19 1.20 -0.10 1.77 2.04 -0.88 -1.39 117.51 120.34 1pr6 h ILE 225 Ca 0.06 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 1pr6 h ILE 225 Cb -0.00 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 1pr6 h ILE 225 CO -0.01 0.22 -0.60 0.50 0.00 0.00 0.00 178.15 178.26 1pr6 h LYS 226 N 1.19 0.35 -0.41 2.37 3.64 -1.06 -2.11 116.57 120.53 1pr6 h LYS 226 Ca 0.35 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1pr6 h LYS 226 Cb -0.07 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1pr6 h LYS 226 CO -0.09 0.84 0.10 0.82 -2.27 0.00 0.00 179.45 178.86 1pr6 h ILE 227 N 0.26 1.23 0.33 2.00 2.04 -0.80 -0.82 117.51 121.75 1pr6 h ILE 227 Ca -0.00 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1pr6 h ILE 227 Cb 1.12 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1pr6 h ILE 227 CO 0.10 0.27 -0.20 0.00 0.00 0.00 0.00 178.15 178.32 1pr6 h ALA 228 N 0.96 -0.50 -0.70 1.87 0.00 -1.14 -0.17 119.26 119.58 1pr6 h ALA 228 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pr6 h ALA 228 Cb 0.31 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1pr6 h ALA 228 CO 0.00 -0.79 0.41 -0.07 0.00 0.00 0.00 179.25 178.80 1pr6 h LEU 229 N -0.51 0.85 -0.95 0.00 3.38 -1.35 -2.59 115.31 114.14 1pr6 h LEU 229 Ca -0.03 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1pr6 h LEU 229 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pr6 h LEU 229 CO 0.04 0.67 -0.45 -0.33 0.09 0.00 0.00 178.44 178.46 1pr6 h GLU 230 N 0.95 0.17 -0.05 1.13 4.39 -1.06 -2.89 114.58 117.23 1pr6 h GLU 230 Ca 0.25 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 1pr6 h GLU 230 Cb -0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1pr6 h GLU 230 CO -0.04 0.59 -0.34 0.66 -1.16 0.00 0.00 179.01 178.71 1pr6 h SER 231 N 0.14 0.09 -0.35 1.42 4.64 -0.64 -2.60 113.55 116.24 1pr6 h SER 231 Ca 0.01 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1pr6 h SER 231 Cb 0.85 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1pr6 h SER 231 CO 0.07 0.43 0.04 0.58 -0.87 0.00 0.00 176.83 177.07 1pr6 h VAL 232 N 0.08 1.25 -0.58 0.95 2.07 -1.28 -1.09 116.25 117.64 1pr6 h VAL 232 Ca 0.01 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1pr6 h VAL 232 Cb 0.64 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1pr6 h VAL 232 CO 0.05 0.30 0.32 -0.07 0.02 0.00 0.00 177.57 178.18 1pr6 h LEU 233 N 0.42 0.48 -0.95 2.57 3.38 -1.44 -0.72 115.31 119.04 1pr6 h LEU 233 Ca 0.10 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1pr6 h LEU 233 Cb 0.39 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1pr6 h LEU 233 CO 0.01 0.32 0.43 -0.07 0.09 0.00 0.00 178.44 179.23 1pr6 h LEU 234 N 0.61 1.06 -1.46 1.67 3.38 -1.29 -2.14 115.31 117.14 1pr6 h LEU 234 Ca 0.25 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1pr6 h LEU 234 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pr6 h LEU 234 CO -0.15 0.87 -0.11 1.23 0.09 0.00 0.00 178.44 180.37 1pr6 h GLY 235 N 1.19 0.24 2.00 0.83 0.00 0.07 -2.41 103.07 105.00 1pr6 h GLY 235 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1pr6 h GLY 235 CO -0.04 0.13 0.00 -0.55 0.00 0.00 0.00 176.54 176.08 1pr6 h ASP 236 N 0.22 0.00 -0.02 0.19 3.32 -0.48 -3.51 116.42 116.13 1pr6 h ASP 236 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pr6 h ASP 236 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1pr6 h ASP 236 CO 0.02 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.83