#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pr0 s THR 2 N 0.00 1.94 0.52 0.00 -4.23 0.28 -4.97 115.64 109.18 1pr0 s THR 2 Ca 0.00 -1.96 0.38 0.00 -1.18 0.00 0.00 61.69 58.93 1pr0 s THR 2 Cb 0.00 -2.90 0.38 0.00 1.34 0.00 0.00 72.50 71.32 1pr0 s THR 2 CO 0.00 0.00 2.17 1.55 -0.54 0.00 0.00 174.62 177.80 1pr0 h PRO 3 N 1.67 0.00 -0.00 3.99 0.13 -2.02 -2.94 132.00 132.83 1pr0 h PRO 3 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pr0 h PRO 3 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pr0 h PRO 3 CO 0.79 0.00 -0.03 0.72 -0.23 0.00 0.00 178.00 179.25 1pr0 n HIS 4 N -2.89 0.00 -3.84 1.56 8.25 -1.26 -4.97 115.22 112.06 1pr0 n HIS 4 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 1pr0 n HIS 4 Cb 0.12 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 1pr0 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pr0 s ILE 5 N -0.97 0.93 -1.24 1.59 1.01 -1.11 -4.61 121.20 116.79 1pr0 s ILE 5 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 1pr0 s ILE 5 Cb 0.01 -1.19 0.19 0.00 0.01 0.00 0.00 42.46 41.47 1pr0 s ILE 5 CO 0.03 0.04 1.74 -3.20 0.00 0.00 0.00 174.94 173.55 1pr0 n ASN 6 N 4.93 5.29 -3.13 3.58 5.15 -1.26 -0.56 115.26 129.25 1pr0 n ASN 6 Ca -0.11 -3.13 -0.16 0.00 -0.60 0.00 0.00 54.58 50.58 1pr0 n ASN 6 Cb 0.47 -1.46 -0.04 0.00 -0.53 0.00 0.00 39.78 38.22 1pr0 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pr0 s ALA 7 N 0.13 1.07 0.17 5.20 0.00 -1.26 -4.67 121.76 122.40 1pr0 s ALA 7 Ca 0.39 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.73 1pr0 s ALA 7 Cb 0.07 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.36 1pr0 s ALA 7 CO 0.01 -0.77 -0.14 -1.21 0.00 0.00 0.00 175.76 173.66 1pr0 s GLU 8 N -2.97 1.20 -0.06 0.00 0.41 -1.26 -2.21 118.70 113.81 1pr0 s GLU 8 Ca 0.33 -1.47 -0.37 0.00 -0.41 0.00 0.00 54.97 53.05 1pr0 s GLU 8 Cb -0.00 -0.98 -0.15 0.00 -1.78 0.00 0.00 34.13 31.21 1pr0 s GLU 8 CO 0.23 0.17 1.62 -0.12 -0.49 0.00 0.00 175.26 176.67 1pr0 n MET 9 N -0.08 1.50 0.00 1.61 0.00 -1.26 -0.87 117.12 118.02 1pr0 n MET 9 Ca -0.11 0.55 0.00 0.00 -0.00 0.00 0.00 57.70 58.14 1pr0 n MET 9 Cb 0.59 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.55 1pr0 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pr0 n GLY 10 N 3.59 1.41 0.27 -5.12 0.00 -1.26 -4.94 105.19 99.14 1pr0 n GLY 10 Ca 0.22 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1pr0 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pr0 h ASP 11 N 1.51 0.00 -2.43 1.61 3.32 -1.39 -3.42 116.42 115.62 1pr0 h ASP 11 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1pr0 h ASP 11 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1pr0 h ASP 11 CO 0.00 0.00 -0.57 -0.36 -1.72 0.00 0.00 179.24 176.59 1pr0 s PHE 12 N -5.02 3.03 0.78 4.55 0.40 -1.26 -4.73 117.98 115.72 1pr0 s PHE 12 Ca -0.05 -0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 1pr0 s PHE 12 Cb 0.17 -1.40 0.10 0.00 0.51 0.00 0.00 43.02 42.40 1pr0 s PHE 12 CO 0.66 0.53 1.11 0.00 0.70 0.00 0.00 175.22 178.22 1pr0 s ALA 13 N -2.00 2.92 -2.02 5.36 0.00 -1.26 -4.94 121.76 119.82 1pr0 s ALA 13 Ca 0.31 -1.01 0.18 0.00 0.00 0.00 0.00 51.96 51.45 1pr0 s ALA 13 Cb -0.08 -2.65 1.04 0.00 0.00 0.00 0.00 23.12 21.43 1pr0 s ALA 13 CO 0.23 -1.63 1.68 -0.40 0.00 0.00 0.00 175.76 175.64 1pr0 n ASP 14 N -3.17 0.13 -3.95 0.00 3.85 -1.26 -4.62 116.55 107.53 1pr0 n ASP 14 Ca 0.10 -1.46 -0.22 0.00 -0.71 0.00 0.00 54.79 52.50 1pr0 n ASP 14 Cb 0.60 -0.01 -0.16 0.00 -1.35 0.00 0.00 41.12 40.20 1pr0 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pr0 s VAL 15 N -1.98 0.80 -0.06 2.12 1.01 -1.26 -0.71 120.40 120.31 1pr0 s VAL 15 Ca 0.27 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1pr0 s VAL 15 Cb 0.13 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1pr0 s VAL 15 CO 0.21 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.83 1pr0 s VAL 16 N 0.81 0.77 0.02 2.92 1.01 -0.22 -2.61 120.40 123.10 1pr0 s VAL 16 Ca -0.13 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1pr0 s VAL 16 Cb -0.15 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1pr0 s VAL 16 CO 0.02 0.29 0.42 -0.76 0.00 0.00 0.00 175.10 175.06 1pr0 s LEU 17 N 1.03 4.46 -0.19 3.92 1.43 -0.24 -0.99 118.68 128.11 1pr0 s LEU 17 Ca -0.09 0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 53.94 1pr0 s LEU 17 Cb -0.14 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1pr0 s LEU 17 CO -0.00 0.30 0.08 -0.04 0.23 0.00 0.00 176.35 176.92 1pr0 s MET 18 N -1.18 0.21 0.61 1.70 -1.94 0.46 -1.31 119.30 117.84 1pr0 s MET 18 Ca 0.25 -0.22 -0.03 0.00 -1.71 0.00 0.00 55.69 53.98 1pr0 s MET 18 Cb -0.17 -1.82 0.04 0.00 2.01 0.00 0.00 34.83 34.89 1pr0 s MET 18 CO 0.14 -0.71 0.88 -1.25 -0.01 0.00 0.00 175.02 174.08 1pr0 s PRO 19 N 2.07 2.52 0.05 2.03 0.04 -1.25 -1.84 135.00 138.63 1pr0 s PRO 19 Ca 0.02 -0.40 -0.05 0.00 0.04 0.00 0.00 61.00 60.61 1pr0 s PRO 19 Cb -0.16 -2.33 -0.29 0.00 0.04 0.00 0.00 34.50 31.76 1pr0 s PRO 19 CO -0.12 -0.88 1.06 0.78 0.04 0.00 0.00 177.00 177.88 1pr0 h GLY 20 N -0.21 0.34 -5.41 0.56 0.00 -1.84 -2.24 103.07 94.27 1pr0 h GLY 20 Ca -0.44 -0.87 -0.59 0.00 0.00 0.00 0.00 47.33 45.44 1pr0 h GLY 20 CO 0.57 0.76 0.60 -0.35 0.00 0.00 0.00 176.54 178.13 1pr0 s ASP 21 N -7.16 6.97 0.48 0.19 -1.08 -1.26 -1.76 116.67 113.05 1pr0 s ASP 21 Ca -0.06 1.21 0.20 0.00 -0.52 0.00 0.00 52.55 53.38 1pr0 s ASP 21 Cb 0.07 -2.49 1.21 0.00 -1.46 0.00 0.00 42.92 40.25 1pr0 s ASP 21 CO 0.88 -0.56 1.96 -0.65 0.52 0.00 0.00 175.17 177.32 1pr0 h PRO 22 N 7.52 0.22 0.00 4.34 0.11 -1.88 0.47 132.00 142.79 1pr0 h PRO 22 Ca -0.22 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.79 1pr0 h PRO 22 Cb 1.09 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1pr0 h PRO 22 CO 0.91 0.14 -0.40 -0.07 -0.21 0.00 0.00 178.00 178.38 1pr0 h LEU 23 N 0.22 0.00 -0.59 2.35 3.38 -1.92 -2.94 115.31 115.82 1pr0 h LEU 23 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1pr0 h LEU 23 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1pr0 h LEU 23 CO -0.06 0.40 -0.66 -0.09 0.09 0.00 0.00 178.44 178.11 1pr0 h ARG 24 N 0.00 0.20 -0.50 1.13 9.65 -1.31 -2.03 114.38 121.52 1pr0 h ARG 24 Ca -0.00 -0.15 -0.11 0.00 -1.10 0.00 0.00 59.98 58.62 1pr0 h ARG 24 Cb 0.99 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 1pr0 h ARG 24 CO 0.05 0.79 -0.12 0.00 2.80 0.00 0.00 179.97 183.49 1pr0 h ALA 25 N 1.17 0.84 -0.49 2.80 0.00 -1.34 0.13 119.26 122.37 1pr0 h ALA 25 Ca -0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1pr0 h ALA 25 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1pr0 h ALA 25 CO 0.10 0.65 -0.20 -0.22 0.00 0.00 0.00 179.25 179.58 1pr0 h LYS 26 N 0.84 1.01 -0.80 0.00 3.11 -1.44 -1.17 116.57 118.11 1pr0 h LYS 26 Ca 0.13 -0.42 -0.01 0.00 -2.81 0.00 0.00 60.65 57.54 1pr0 h LYS 26 Cb 0.66 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.81 1pr0 h LYS 26 CO 0.05 1.11 0.47 -0.92 -2.81 0.00 0.00 179.45 177.34 1pr0 h TYR 27 N 0.87 1.07 -0.09 1.91 5.03 -1.06 -1.23 116.97 123.46 1pr0 h TYR 27 Ca 0.11 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 1pr0 h TYR 27 Cb 0.78 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 1pr0 h TYR 27 CO 0.05 0.72 -0.05 0.82 -1.32 0.00 0.00 178.16 178.39 1pr0 h ILE 28 N 1.10 1.32 -0.55 1.81 2.04 -0.78 -0.62 117.51 121.83 1pr0 h ILE 28 Ca 0.29 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1pr0 h ILE 28 Cb -0.02 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1pr0 h ILE 28 CO -0.05 0.30 0.29 0.00 0.00 0.00 0.00 178.15 178.69 1pr0 h ALA 29 N 0.64 0.71 -0.71 1.87 0.00 -1.10 -0.44 119.26 120.23 1pr0 h ALA 29 Ca 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1pr0 h ALA 29 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1pr0 h ALA 29 CO 0.01 -0.04 0.20 1.49 0.00 0.00 0.00 179.25 180.92 1pr0 h GLU 30 N 0.57 1.12 0.22 0.00 4.57 -1.19 -2.22 114.58 117.65 1pr0 h GLU 30 Ca 0.24 -0.25 -0.34 0.00 -1.18 0.00 0.00 59.36 57.83 1pr0 h GLU 30 Cb 0.13 -0.16 0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1pr0 h GLU 30 CO -0.15 0.97 -1.61 1.15 -1.18 0.00 0.00 179.01 178.18 1pr0 h THR 31 N 1.07 1.11 0.00 0.32 2.02 -0.72 -3.43 112.91 113.28 1pr0 h THR 31 Ca 0.23 -2.60 -0.01 0.00 0.77 0.00 0.00 66.41 64.79 1pr0 h THR 31 Cb 0.33 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1pr0 h THR 31 CO -0.00 0.83 -1.33 0.49 0.37 0.00 0.00 175.52 175.88 1pr0 n PHE 32 N -3.67 0.00 -3.68 3.16 3.01 -0.21 -5.04 117.46 111.04 1pr0 n PHE 32 Ca -0.21 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.91 1pr0 n PHE 32 Cb 1.09 -0.18 -0.05 0.00 -0.01 0.00 0.00 39.48 40.33 1pr0 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pr0 s LEU 33 N -3.59 4.33 -0.03 4.37 1.43 -0.83 -4.75 118.68 119.61 1pr0 s LEU 33 Ca -0.03 0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1pr0 s LEU 33 Cb 0.04 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1pr0 s LEU 33 CO 0.28 0.17 0.02 -0.70 0.23 0.00 0.00 176.35 176.35 1pr0 s GLU 34 N -2.09 2.91 -1.26 1.70 2.12 -0.19 -4.53 118.70 117.37 1pr0 s GLU 34 Ca 0.33 -0.51 -0.06 0.00 0.36 0.00 0.00 54.97 55.09 1pr0 s GLU 34 Cb -0.13 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.51 1pr0 s GLU 34 CO 0.20 0.66 1.08 -0.25 -0.54 0.00 0.00 175.26 176.41 1pr0 n ASP 35 N 1.61 -4.87 -4.76 -1.70 8.00 -1.26 -1.49 116.55 112.07 1pr0 n ASP 35 Ca -0.16 -0.54 -0.39 0.00 0.71 0.00 0.00 54.79 54.41 1pr0 n ASP 35 Cb 0.53 -4.89 -0.05 0.00 -0.02 0.00 0.00 41.12 36.69 1pr0 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pr0 s ALA 36 N -3.32 3.32 -0.01 2.24 0.00 -1.26 -4.46 121.76 118.28 1pr0 s ALA 36 Ca 0.38 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1pr0 s ALA 36 Cb -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1pr0 s ALA 36 CO 0.70 0.07 0.01 -0.98 0.00 0.00 0.00 175.76 175.56 1pr0 s ARG 37 N -1.48 0.00 -0.01 0.00 1.70 0.16 -4.94 118.95 114.38 1pr0 s ARG 37 Ca 0.45 0.05 -0.30 0.00 -0.47 0.00 0.00 55.73 55.45 1pr0 s ARG 37 Cb -0.26 -0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 33.98 1pr0 s ARG 37 CO 0.33 -0.04 1.42 -2.00 -1.08 0.00 0.00 175.30 173.92 1pr0 s GLU 38 N 0.29 4.27 0.00 3.89 2.12 -1.26 -1.46 118.70 126.56 1pr0 s GLU 38 Ca -0.02 1.98 0.10 0.00 0.36 0.00 0.00 54.97 57.38 1pr0 s GLU 38 Cb -0.04 -3.62 0.12 0.00 0.26 0.00 0.00 34.13 30.86 1pr0 s GLU 38 CO -0.01 -0.61 0.91 1.33 -0.54 0.00 0.00 175.26 176.34 1pr0 n VAL 39 N 4.77 0.24 -3.54 3.70 0.24 0.04 -4.96 118.33 118.81 1pr0 n VAL 39 Ca 0.14 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 1pr0 n VAL 39 Cb 0.44 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.79 1pr0 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pr0 s ASN 40 N -0.86 -0.52 0.00 -1.34 3.84 -1.20 -4.33 114.94 110.53 1pr0 s ASN 40 Ca 0.14 0.53 0.00 0.00 0.21 0.00 0.00 52.86 53.73 1pr0 s ASN 40 Cb 0.09 0.43 0.00 0.00 -0.55 0.00 0.00 41.25 41.22 1pr0 s ASN 40 CO 0.13 -0.51 0.12 -3.20 -2.79 0.00 0.00 177.10 170.85 1pr0 n ASN 41 N 0.73 0.00 -4.73 -4.21 5.15 -1.26 -2.58 115.26 108.36 1pr0 n ASN 41 Ca -0.15 -1.00 -0.42 0.00 -0.60 0.00 0.00 54.58 52.41 1pr0 n ASN 41 Cb 0.58 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.81 1pr0 n ASN 41 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pr0 n VAL 42 N 0.00 1.01 -1.10 3.44 0.31 -1.26 -1.02 118.33 119.71 1pr0 n VAL 42 Ca 0.00 -0.25 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 1pr0 n VAL 42 Cb 0.48 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 1pr0 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pr0 n ARG 43 N 2.12 -1.74 -0.96 5.55 1.74 -1.26 -1.47 116.66 120.64 1pr0 n ARG 43 Ca 0.09 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1pr0 n ARG 43 Cb 0.36 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 26.94 1pr0 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pr0 n GLY 44 N 0.34 0.62 3.43 -0.13 0.00 -0.19 -4.96 105.19 104.29 1pr0 n GLY 44 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1pr0 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pr0 n MET 45 N -2.76 3.29 -1.67 1.61 0.00 -0.54 -4.84 117.12 112.21 1pr0 n MET 45 Ca 0.00 -3.53 -0.46 0.00 0.00 0.00 0.00 57.70 53.71 1pr0 n MET 45 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 33.22 29.95 1pr0 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pr0 n LEU 46 N 6.65 3.23 -4.19 -0.89 4.77 -1.26 -4.33 117.00 120.98 1pr0 n LEU 46 Ca 0.43 1.07 -0.25 0.00 -0.03 0.00 0.00 56.01 57.23 1pr0 n LEU 46 Cb 0.43 -1.44 -0.15 0.00 -2.33 0.00 0.00 43.42 39.94 1pr0 n LEU 46 CO 0.71 -0.22 -0.51 -0.83 -1.33 0.00 0.00 177.39 175.22 1pr0 s GLY 47 N 1.30 0.93 0.12 -0.72 0.00 -1.06 -2.84 107.32 105.04 1pr0 s GLY 47 Ca 0.80 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1pr0 s GLY 47 CO 0.39 -0.73 -0.10 -1.36 0.00 0.00 0.00 173.10 171.30 1pr0 s PHE 48 N -0.54 1.12 -0.01 1.90 0.08 0.58 -0.78 117.98 120.33 1pr0 s PHE 48 Ca 0.07 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1pr0 s PHE 48 Cb -0.07 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.79 1pr0 s PHE 48 CO -0.00 0.01 -0.01 0.99 -0.10 0.00 0.00 175.22 176.11 1pr0 s THR 49 N -2.94 0.16 0.00 0.64 2.01 -0.53 -1.38 115.64 113.59 1pr0 s THR 49 Ca 0.11 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1pr0 s THR 49 Cb 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.32 1pr0 s THR 49 CO -0.00 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1pr0 n GLY 50 N 3.45 2.86 3.12 4.40 0.00 0.06 -0.67 105.19 118.42 1pr0 n GLY 50 Ca -0.18 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1pr0 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pr0 s THR 51 N -2.46 0.83 -0.18 2.61 -4.23 -0.56 0.38 115.64 112.04 1pr0 s THR 51 Ca 0.00 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1pr0 s THR 51 Cb 0.00 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.96 1pr0 s THR 51 CO 0.00 -0.35 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.13 1pr0 s TYR 52 N -1.50 2.49 -1.46 3.99 6.14 0.27 -1.03 117.35 126.24 1pr0 s TYR 52 Ca -0.04 -1.54 -0.05 0.00 0.64 0.00 0.00 57.07 56.07 1pr0 s TYR 52 Cb -0.09 -1.71 0.04 0.00 0.42 0.00 0.00 41.96 40.62 1pr0 s TYR 52 CO 0.01 -0.75 0.56 1.63 0.64 0.00 0.00 175.55 177.64 1pr0 n LYS 53 N 4.68 -3.60 -0.68 4.97 5.02 -1.26 -0.32 118.16 126.98 1pr0 n LYS 53 Ca -0.17 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1pr0 n LYS 53 Cb 0.48 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1pr0 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pr0 n GLY 54 N -1.82 1.26 3.68 0.72 0.00 -1.26 -4.99 105.19 102.78 1pr0 n GLY 54 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1pr0 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pr0 s ARG 55 N -0.12 4.18 0.01 1.61 3.00 0.57 -5.02 118.95 123.18 1pr0 s ARG 55 Ca 0.00 0.12 -0.30 0.00 -1.00 0.00 0.00 55.73 54.54 1pr0 s ARG 55 Cb 0.00 -3.51 -0.07 0.00 0.00 0.00 0.00 34.95 31.37 1pr0 s ARG 55 CO 0.00 0.04 1.58 0.21 0.00 0.00 0.00 175.30 177.13 1pr0 s LYS 56 N 1.08 4.22 0.02 5.12 2.20 -1.26 0.93 119.74 132.05 1pr0 s LYS 56 Ca 0.17 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1pr0 s LYS 56 Cb -0.14 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1pr0 s LYS 56 CO 0.07 -0.72 -0.03 0.42 -0.36 0.00 0.00 175.35 174.72 1pr0 s ILE 57 N 2.98 0.15 0.25 5.43 1.01 0.16 -4.74 121.20 126.45 1pr0 s ILE 57 Ca 0.71 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 60.63 1pr0 s ILE 57 Cb -0.35 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1pr0 s ILE 57 CO 0.30 -0.44 -0.20 -0.44 0.00 0.00 0.00 174.94 174.16 1pr0 s SER 58 N -1.33 3.39 -0.13 3.58 0.01 -1.07 -0.76 113.70 117.38 1pr0 s SER 58 Ca -0.14 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.06 1pr0 s SER 58 Cb -0.09 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 65.93 1pr0 s SER 58 CO -0.01 0.02 0.30 0.54 0.41 0.00 0.00 173.24 174.50 1pr0 s VAL 59 N -2.46 -0.18 -0.10 3.43 0.11 -0.48 -1.07 120.40 119.65 1pr0 s VAL 59 Ca 0.27 0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 59.40 1pr0 s VAL 59 Cb -0.05 -0.47 0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1pr0 s VAL 59 CO 0.13 0.07 0.26 -0.32 -3.33 0.00 0.00 175.10 171.91 1pr0 s MET 60 N 1.68 0.30 0.72 1.54 1.75 -0.43 -0.31 119.30 124.56 1pr0 s MET 60 Ca -0.06 0.38 -0.12 0.00 -1.25 0.00 0.00 55.69 54.64 1pr0 s MET 60 Cb -0.10 0.13 0.03 0.00 2.84 0.00 0.00 34.83 37.73 1pr0 s MET 60 CO -0.10 -0.05 1.09 0.20 -0.65 0.00 0.00 175.02 175.52 1pr0 s GLY 61 N 0.22 1.85 0.00 2.11 0.00 -1.13 -3.84 107.32 106.53 1pr0 s GLY 61 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1pr0 s GLY 61 CO -0.00 0.69 0.77 -2.39 0.00 0.00 0.00 173.10 172.17 1pr0 n HIS 62 N -3.08 0.00 -0.76 1.90 1.44 -0.84 -4.89 115.22 108.99 1pr0 n HIS 62 Ca 0.09 -0.28 0.10 0.00 -2.01 0.00 0.00 57.72 55.63 1pr0 n HIS 62 Cb 0.53 -0.03 -0.03 0.00 0.12 0.00 0.00 29.99 30.58 1pr0 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pr0 n GLY 63 N -0.28 -1.62 3.81 -1.39 0.00 -0.72 -2.81 105.19 102.18 1pr0 n GLY 63 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1pr0 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pr0 s MET 64 N -1.68 3.79 0.00 1.61 1.00 -1.26 -4.64 119.30 118.12 1pr0 s MET 64 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 55.69 55.57 1pr0 s MET 64 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 34.83 31.54 1pr0 s MET 64 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 175.02 176.00 1pr0 n GLY 65 N 2.61 1.78 0.21 -0.03 0.00 -1.25 -4.47 105.19 104.05 1pr0 n GLY 65 Ca -0.18 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 1pr0 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pr0 h ILE 66 N 0.00 0.90 -0.97 -0.61 2.04 -1.69 -2.03 117.51 115.16 1pr0 h ILE 66 Ca 0.00 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.80 1pr0 h ILE 66 Cb 0.00 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 1pr0 h ILE 66 CO 0.00 0.09 0.61 -0.65 0.00 0.00 0.00 178.15 178.20 1pr0 h PRO 67 N 0.47 0.99 0.45 2.37 0.11 -1.90 -0.22 132.00 134.26 1pr0 h PRO 67 Ca 0.25 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1pr0 h PRO 67 Cb 0.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1pr0 h PRO 67 CO -0.20 0.66 -0.21 1.03 -0.21 0.00 0.00 178.00 179.06 1pr0 h SER 68 N 1.02 -0.51 0.24 -2.05 0.87 -1.67 -3.18 113.55 108.27 1pr0 h SER 68 Ca 0.46 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.96 1pr0 h SER 68 Cb 0.36 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1pr0 h SER 68 CO -0.23 -0.08 -0.09 0.00 -0.53 0.00 0.00 176.83 175.89 1pr0 h SER 70 N 0.00 0.00 0.02 0.00 4.64 -1.12 -1.41 113.55 115.68 1pr0 h SER 70 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pr0 h SER 70 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1pr0 h SER 70 CO 0.01 0.57 -0.01 0.40 -0.87 0.00 0.00 176.83 176.93 1pr0 h ILE 71 N 0.00 1.23 -0.02 0.95 2.04 -1.34 -2.53 117.51 117.83 1pr0 h ILE 71 Ca -0.01 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1pr0 h ILE 71 Cb 1.08 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1pr0 h ILE 71 CO 0.07 0.20 0.00 1.88 0.00 0.00 0.00 178.15 180.30 1pr0 h TYR 72 N -0.36 0.04 -0.83 1.37 0.05 -1.46 -2.36 116.97 113.42 1pr0 h TYR 72 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1pr0 h TYR 72 Cb 0.35 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1pr0 h TYR 72 CO 0.04 0.29 0.52 1.79 -1.05 0.00 0.00 178.16 179.76 1pr0 h THR 73 N -0.23 1.22 -0.36 -2.88 1.35 -1.36 -0.41 112.91 110.24 1pr0 h THR 73 Ca 0.01 -0.44 0.02 0.00 -0.55 0.00 0.00 66.41 65.44 1pr0 h THR 73 Cb 0.27 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.70 1pr0 h THR 73 CO 0.00 0.22 0.21 0.50 -0.25 0.00 0.00 175.52 176.20 1pr0 h LYS 74 N 1.13 0.42 -0.46 4.72 1.63 -1.43 -1.31 116.57 121.26 1pr0 h LYS 74 Ca 0.30 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.99 1pr0 h LYS 74 Cb -0.09 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 1pr0 h LYS 74 CO -0.06 0.27 -0.04 0.93 -3.45 0.00 0.00 179.45 177.10 1pr0 h GLU 75 N 0.43 0.79 -0.45 1.90 5.08 -0.95 -1.57 114.58 119.80 1pr0 h GLU 75 Ca 0.14 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1pr0 h GLU 75 Cb 0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1pr0 h GLU 75 CO -0.07 0.83 0.12 -0.07 -1.00 0.00 0.00 179.01 178.81 1pr0 h LEU 76 N 0.73 0.68 0.05 1.33 3.38 -0.72 -1.18 115.31 119.58 1pr0 h LEU 76 Ca 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1pr0 h LEU 76 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pr0 h LEU 76 CO 0.03 0.73 -0.02 0.40 0.09 0.00 0.00 178.44 179.66 1pr0 h ILE 77 N 0.60 1.24 0.00 1.22 2.04 -1.08 -1.51 117.51 120.01 1pr0 h ILE 77 Ca 0.14 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1pr0 h ILE 77 Cb 0.31 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1pr0 h ILE 77 CO 0.00 0.25 -0.31 0.71 0.00 0.00 0.00 178.15 178.80 1pr0 h THR 78 N -0.52 0.00 0.00 -0.27 1.35 -1.36 -3.30 112.91 108.81 1pr0 h THR 78 Ca -0.01 -0.78 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1pr0 h THR 78 Cb 0.46 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1pr0 h THR 78 CO 0.01 0.00 -1.11 0.47 -0.25 0.00 0.00 175.52 174.64 1pr0 n ASP 79 N -2.63 4.47 -0.23 5.36 9.92 -0.45 -4.76 116.55 128.24 1pr0 n ASP 79 Ca 0.03 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.36 1pr0 n ASP 79 Cb 0.49 1.03 0.12 0.00 -0.64 0.00 0.00 41.12 42.12 1pr0 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pr0 n PHE 80 N -1.64 0.18 -1.16 1.24 3.01 -0.61 -4.64 117.46 113.84 1pr0 n PHE 80 Ca -0.01 -0.79 -0.06 0.00 1.01 0.00 0.00 57.45 57.61 1pr0 n PHE 80 Cb 0.13 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1pr0 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr0 n GLY 81 N -0.84 0.58 3.72 1.37 0.00 -1.14 -4.70 105.19 104.19 1pr0 n GLY 81 Ca 0.12 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1pr0 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pr0 s VAL 82 N -1.58 2.33 -0.24 1.61 1.01 -0.93 -4.79 120.40 117.82 1pr0 s VAL 82 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1pr0 s VAL 82 Cb 0.00 -3.16 -0.17 0.00 0.00 0.00 0.00 36.38 33.05 1pr0 s VAL 82 CO 0.00 0.02 -0.18 0.29 0.00 0.00 0.00 175.10 175.24 1pr0 n LYS 83 N 3.62 0.65 -4.95 2.72 4.76 0.11 -4.44 118.16 120.63 1pr0 n LYS 83 Ca 0.13 0.12 -0.27 0.00 -2.87 0.00 0.00 58.31 55.43 1pr0 n LYS 83 Cb 0.37 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.91 1pr0 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pr0 s LYS 84 N -2.49 1.66 -0.06 1.97 1.02 -0.45 -1.52 119.74 119.87 1pr0 s LYS 84 Ca -0.30 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.03 1pr0 s LYS 84 Cb 0.08 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 1pr0 s LYS 84 CO 0.60 0.40 -0.16 0.42 -0.92 0.00 0.00 175.35 175.69 1pr0 s ILE 85 N -0.38 1.38 -0.23 2.17 -1.09 -0.56 -1.05 121.20 121.43 1pr0 s ILE 85 Ca 0.06 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1pr0 s ILE 85 Cb -0.08 -1.22 0.06 0.00 -1.58 0.00 0.00 42.46 39.64 1pr0 s ILE 85 CO -0.00 0.41 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.44 1pr0 s ILE 86 N 0.37 1.40 -0.03 2.92 1.01 -0.16 -1.51 121.20 125.20 1pr0 s ILE 86 Ca -0.11 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.11 1pr0 s ILE 86 Cb -0.14 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1pr0 s ILE 86 CO 0.04 -0.13 0.90 -0.60 0.00 0.00 0.00 174.94 175.15 1pr0 s ARG 87 N 1.45 4.51 -0.28 2.79 3.52 0.10 -0.40 118.95 130.64 1pr0 s ARG 87 Ca -0.05 1.25 0.03 0.00 -0.13 0.00 0.00 55.73 56.83 1pr0 s ARG 87 Cb -0.19 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.82 1pr0 s ARG 87 CO -0.07 -0.04 -0.04 0.14 -0.81 0.00 0.00 175.30 174.49 1pr0 s VAL 88 N 1.03 2.06 0.00 7.11 -7.23 -0.77 -0.45 120.40 122.15 1pr0 s VAL 88 Ca 0.47 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1pr0 s VAL 88 Cb -0.20 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1pr0 s VAL 88 CO 0.24 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1pr0 n GLY 89 N 4.42 5.16 3.35 2.32 0.00 -0.62 -3.99 105.19 115.82 1pr0 n GLY 89 Ca -0.07 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1pr0 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pr0 s SER 90 N 1.09 2.69 0.09 1.61 1.04 -1.26 -2.06 113.70 116.89 1pr0 s SER 90 Ca 0.00 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 1pr0 s SER 90 Cb 0.00 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 1pr0 s SER 90 CO 0.00 -0.11 0.18 0.00 0.98 0.00 0.00 173.24 174.28 1pr0 s GLY 92 N -2.87 2.31 0.31 0.00 0.00 -0.59 -0.71 107.32 105.78 1pr0 s GLY 92 Ca 0.05 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.16 1pr0 s GLY 92 CO -0.11 0.14 0.84 0.00 0.00 0.00 0.00 173.10 173.97 1pr0 s ALA 93 N -0.49 3.26 0.00 3.20 0.00 0.13 -0.69 121.76 127.17 1pr0 s ALA 93 Ca 0.19 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1pr0 s ALA 93 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1pr0 s ALA 93 CO 0.08 0.24 0.00 1.33 0.00 0.00 0.00 175.76 177.41 1pr0 n VAL 94 N 0.22 0.00 -3.12 0.00 0.24 -1.26 -1.38 118.33 113.03 1pr0 n VAL 94 Ca 0.02 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.93 1pr0 n VAL 94 Cb 0.52 -0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 32.42 1pr0 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pr0 s LEU 95 N -3.32 4.40 0.35 1.34 1.43 -1.26 -4.79 118.68 116.84 1pr0 s LEU 95 Ca 0.00 1.23 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 1pr0 s LEU 95 Cb 0.00 -3.03 0.66 0.00 0.03 0.00 0.00 46.19 43.85 1pr0 s LEU 95 CO 0.00 0.03 1.88 1.55 0.23 0.00 0.00 176.35 180.05 1pr0 h PRO 96 N 5.90 0.41 -0.33 1.29 0.13 -1.98 -2.19 132.00 135.22 1pr0 h PRO 96 Ca -0.44 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1pr0 h PRO 96 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1pr0 h PRO 96 CO 0.71 0.49 0.00 0.72 -0.23 0.00 0.00 178.00 179.69 1pr0 n HIS 97 N -4.27 0.00 -3.96 1.56 8.25 -1.26 -4.56 115.22 110.97 1pr0 n HIS 97 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 1pr0 n HIS 97 Cb 0.26 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.18 1pr0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pr0 s VAL 98 N -1.57 1.48 0.30 1.59 1.01 -0.83 -5.13 120.40 117.25 1pr0 s VAL 98 Ca 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.17 1pr0 s VAL 98 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1pr0 s VAL 98 CO 0.00 0.15 -0.00 -1.59 0.00 0.00 0.00 175.10 173.66 1pr0 s LYS 99 N 1.47 2.17 0.85 2.72 -2.85 -1.26 -4.82 119.74 118.02 1pr0 s LYS 99 Ca -0.01 -1.57 -0.16 0.00 -1.00 0.00 0.00 55.97 53.23 1pr0 s LYS 99 Cb -0.16 -2.05 -0.09 0.00 -2.06 0.00 0.00 37.83 33.47 1pr0 s LYS 99 CO -0.08 0.26 -0.18 1.28 0.10 0.00 0.00 175.35 176.73 1pr0 n LEU 100 N -0.91 -3.12 -3.55 2.77 4.32 -1.26 -3.39 117.00 111.85 1pr0 n LEU 100 Ca -0.05 0.37 -0.20 0.00 -0.02 0.00 0.00 56.01 56.11 1pr0 n LEU 100 Cb 0.60 -0.96 0.06 0.00 -1.62 0.00 0.00 43.42 41.50 1pr0 n LEU 100 CO 0.41 -4.78 0.00 0.54 -1.22 0.00 0.00 177.39 172.35 1pr0 n ARG 101 N 0.84 -4.74 -4.77 3.23 1.74 -1.17 -4.94 116.66 106.86 1pr0 n ARG 101 Ca 0.04 0.71 -0.26 0.00 -0.77 0.00 0.00 57.85 57.57 1pr0 n ARG 101 Cb 0.53 -5.40 -0.17 0.00 -1.02 0.00 0.00 32.46 26.40 1pr0 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pr0 s ASP 102 N -4.15 2.13 -0.22 0.55 2.15 -1.22 -4.94 116.67 110.97 1pr0 s ASP 102 Ca 0.11 -0.36 -0.20 0.00 0.43 0.00 0.00 52.55 52.52 1pr0 s ASP 102 Cb -0.02 -0.92 -0.02 0.00 -0.30 0.00 0.00 42.92 41.66 1pr0 s ASP 102 CO 0.78 0.08 0.63 -0.69 -0.17 0.00 0.00 175.17 175.80 1pr0 s VAL 103 N 0.48 5.01 -0.06 1.11 1.01 -1.26 -1.99 120.40 124.70 1pr0 s VAL 103 Ca -0.14 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1pr0 s VAL 103 Cb -0.16 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1pr0 s VAL 103 CO 0.05 0.07 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 1pr0 s VAL 104 N 2.19 3.12 -0.18 2.92 1.01 0.18 -1.26 120.40 128.38 1pr0 s VAL 104 Ca 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1pr0 s VAL 104 Cb -0.16 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1pr0 s VAL 104 CO 0.09 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 174.97 1pr0 s ILE 105 N -0.57 2.29 -0.94 2.22 1.01 0.13 -0.33 121.20 125.00 1pr0 s ILE 105 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 1pr0 s ILE 105 Cb -0.11 -1.97 0.08 0.00 0.01 0.00 0.00 42.46 40.47 1pr0 s ILE 105 CO 0.01 0.52 1.29 -0.83 0.00 0.00 0.00 174.94 175.94 1pr0 s GLY 106 N 1.18 1.49 0.39 6.18 0.00 -0.05 -2.06 107.32 114.44 1pr0 s GLY 106 Ca 0.02 -2.36 0.16 0.00 0.00 0.00 0.00 44.72 42.54 1pr0 s GLY 106 CO -0.09 2.40 1.83 1.98 0.00 0.00 0.00 173.10 179.22 1pr0 h MET 107 N 9.45 0.00 -4.09 2.90 4.05 -1.55 -3.39 114.93 122.30 1pr0 h MET 107 Ca 0.12 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.41 1pr0 h MET 107 Cb 1.02 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.68 1pr0 h MET 107 CO 1.29 0.35 -0.48 0.20 0.23 0.00 0.00 176.91 178.50 1pr0 s GLY 108 N -4.31 0.58 -0.09 1.39 0.00 -1.12 -1.56 107.32 102.22 1pr0 s GLY 108 Ca -0.02 -1.07 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 1pr0 s GLY 108 CO 0.70 -1.06 0.17 0.00 0.00 0.00 0.00 173.10 172.90 1pr0 s ALA 109 N -3.97 -0.19 0.66 3.20 0.00 -0.78 -1.41 121.76 119.28 1pr0 s ALA 109 Ca 0.16 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 1pr0 s ALA 109 Cb 0.05 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.40 1pr0 s ALA 109 CO -0.02 -0.55 0.98 0.00 0.00 0.00 0.00 175.76 176.17 1pr0 s THR 111 N -3.17 0.00 -0.87 0.00 -1.32 -1.26 0.33 115.64 109.35 1pr0 s THR 111 Ca 0.57 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.15 1pr0 s THR 111 Cb -0.11 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.14 1pr0 s THR 111 CO 0.46 0.00 1.20 -0.90 -2.21 0.00 0.00 174.62 173.17 1pr0 n ASP 112 N -0.15 2.76 -4.89 8.08 3.85 -1.16 -4.97 116.55 120.07 1pr0 n ASP 112 Ca -0.14 -1.95 -0.29 0.00 -0.71 0.00 0.00 54.79 51.69 1pr0 n ASP 112 Cb 0.63 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1pr0 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pr0 s SER 113 N -0.99 6.28 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.88 1pr0 s SER 113 Ca 0.20 1.18 0.21 0.00 0.70 0.00 0.00 55.95 58.24 1pr0 s SER 113 Cb 0.11 -2.36 0.19 0.00 -1.71 0.00 0.00 66.02 62.25 1pr0 s SER 113 CO 0.14 -0.70 1.18 0.29 1.20 0.00 0.00 173.24 175.36 1pr0 n LYS 114 N -2.39 1.95 -0.31 5.44 5.02 -1.26 -4.64 118.16 121.97 1pr0 n LYS 114 Ca 0.03 -1.79 -0.03 0.00 -2.02 0.00 0.00 58.31 54.50 1pr0 n LYS 114 Cb 0.54 -1.41 0.09 0.00 -0.02 0.00 0.00 35.03 34.24 1pr0 n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1pr0 h VAL 115 N 4.06 1.18 0.00 -0.18 -1.51 -1.99 -1.12 116.25 116.69 1pr0 h VAL 115 Ca 0.00 -0.38 -0.13 0.00 -1.23 0.00 0.00 66.70 64.97 1pr0 h VAL 115 Cb 0.87 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 1pr0 h VAL 115 CO 0.00 0.20 -0.61 0.78 -1.23 0.00 0.00 177.57 176.71 1pr0 h ASN 116 N 1.10 0.00 -0.10 4.19 2.35 -1.94 -2.52 115.58 118.66 1pr0 h ASN 116 Ca 0.32 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 1pr0 h ASN 116 Cb -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1pr0 h ASN 116 CO -0.09 0.61 -0.46 0.03 -1.65 0.00 0.00 177.43 175.87 1pr0 h ARG 117 N 0.00 0.66 -0.11 0.81 3.08 -1.72 0.25 114.38 117.34 1pr0 h ARG 117 Ca -0.01 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1pr0 h ARG 117 Cb 1.21 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1pr0 h ARG 117 CO 0.08 0.98 -0.13 0.82 -1.07 0.00 0.00 179.97 180.65 1pr0 h ILE 118 N 0.52 1.16 0.21 2.04 2.04 -1.09 0.26 117.51 122.66 1pr0 h ILE 118 Ca 0.03 -0.71 -0.33 0.00 1.00 0.00 0.00 64.86 64.86 1pr0 h ILE 118 Cb 1.00 1.22 0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1pr0 h ILE 118 CO 0.09 0.22 -1.50 0.03 0.00 0.00 0.00 178.15 176.99 1pr0 h ARG 119 N 0.17 0.45 -1.01 2.37 3.08 -0.98 -3.38 114.38 115.08 1pr0 h ARG 119 Ca 0.03 -0.77 -0.61 0.00 0.07 0.00 0.00 59.98 58.71 1pr0 h ARG 119 Cb 0.34 0.29 -0.29 0.00 0.08 0.00 0.00 29.97 30.38 1pr0 h ARG 119 CO 0.02 1.36 0.78 0.34 -1.07 0.00 0.00 179.97 181.40 1pr0 n PHE 120 N -3.64 3.11 -3.95 3.04 7.35 0.81 -4.92 117.46 119.26 1pr0 n PHE 120 Ca -0.17 -2.56 -0.29 0.00 -0.76 0.00 0.00 57.45 53.67 1pr0 n PHE 120 Cb 1.08 -1.25 0.01 0.00 0.35 0.00 0.00 39.48 39.67 1pr0 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pr0 n LYS 121 N -0.96 -4.49 -0.98 -4.13 5.02 -1.08 -1.54 118.16 110.00 1pr0 n LYS 121 Ca 0.60 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 1pr0 n LYS 121 Cb 1.03 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 1pr0 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pr0 n ASP 122 N -2.86 -4.54 -4.52 4.39 2.03 0.90 -4.99 116.55 106.95 1pr0 n ASP 122 Ca -0.08 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.04 1pr0 n ASP 122 Cb 0.58 -2.27 0.08 0.00 -0.72 0.00 0.00 41.12 38.78 1pr0 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pr0 n HIS 123 N -2.37 -2.61 -3.02 -0.67 8.25 -0.59 -5.00 115.22 109.21 1pr0 n HIS 123 Ca 0.00 -1.79 -0.42 0.00 -0.26 0.00 0.00 57.72 55.25 1pr0 n HIS 123 Cb 0.29 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 1pr0 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pr0 s ASP 124 N -4.42 6.54 -0.23 0.41 1.11 -1.26 -4.58 116.67 114.24 1pr0 s ASP 124 Ca 0.57 0.40 -0.06 0.00 0.18 0.00 0.00 52.55 53.63 1pr0 s ASP 124 Cb -0.04 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.56 1pr0 s ASP 124 CO 0.37 -0.62 0.04 0.12 1.18 0.00 0.00 175.17 176.25 1pr0 s PHE 125 N 2.88 3.06 -0.62 4.23 5.36 -1.26 -5.05 117.98 126.58 1pr0 s PHE 125 Ca 0.29 -0.47 -0.28 0.00 -0.96 0.00 0.00 56.93 55.51 1pr0 s PHE 125 Cb -0.14 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1pr0 s PHE 125 CO 0.14 -0.32 1.25 0.00 -1.46 0.00 0.00 175.22 174.83 1pr0 s ALA 126 N 1.37 2.90 -0.57 11.12 0.00 -1.26 -4.96 121.76 130.37 1pr0 s ALA 126 Ca 0.05 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 1pr0 s ALA 126 Cb -0.15 -4.11 0.02 0.00 0.00 0.00 0.00 23.12 18.88 1pr0 s ALA 126 CO 0.02 -2.87 1.39 0.00 0.00 0.00 0.00 175.76 174.30 1pr0 s ALA 127 N 5.33 2.83 0.25 0.00 0.00 -1.26 -4.99 121.76 123.92 1pr0 s ALA 127 Ca 0.42 -0.70 0.11 0.00 0.00 0.00 0.00 51.96 51.79 1pr0 s ALA 127 Cb -0.08 -4.10 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1pr0 s ALA 127 CO 0.23 -2.90 -0.19 0.96 0.00 0.00 0.00 175.76 173.86 1pr0 s ILE 128 N 5.91 2.23 0.88 0.00 -4.36 -1.26 -1.86 121.20 122.75 1pr0 s ILE 128 Ca 0.51 -2.31 -0.13 0.00 -0.26 0.00 0.00 60.65 58.45 1pr0 s ILE 128 Cb -0.10 -2.20 0.15 0.00 1.25 0.00 0.00 42.46 41.56 1pr0 s ILE 128 CO 0.25 -0.44 1.24 0.00 0.24 0.00 0.00 174.94 176.23 1pr0 s ALA 129 N -2.58 2.52 -0.13 2.27 0.00 -0.60 -4.86 121.76 118.37 1pr0 s ALA 129 Ca 0.27 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1pr0 s ALA 129 Cb -0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1pr0 s ALA 129 CO 0.12 -2.08 0.98 0.34 0.00 0.00 0.00 175.76 175.12 1pr0 s ASP 130 N -4.77 7.17 0.24 0.00 -1.08 -0.70 -4.94 116.67 112.59 1pr0 s ASP 130 Ca 0.69 1.45 -0.07 0.00 -0.52 0.00 0.00 52.55 54.10 1pr0 s ASP 130 Cb -0.06 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.27 1pr0 s ASP 130 CO 0.51 -0.47 1.67 0.15 0.52 0.00 0.00 175.17 177.54 1pr0 h PHE 131 N 7.19 0.10 -0.70 -5.34 3.57 -1.95 -1.91 116.94 117.90 1pr0 h PHE 131 Ca -0.29 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 1pr0 h PHE 131 Cb 1.13 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 1pr0 h PHE 131 CO 0.72 -0.15 0.43 -0.44 -2.23 0.00 0.00 178.31 176.64 1pr0 h ASP 132 N 0.18 0.83 -0.52 0.41 3.45 -1.99 -1.44 116.42 117.34 1pr0 h ASP 132 Ca 0.39 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.76 1pr0 h ASP 132 Cb 0.67 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 1pr0 h ASP 132 CO -0.56 0.63 0.18 0.24 -1.57 0.00 0.00 179.24 178.17 1pr0 h MET 133 N 0.95 0.85 -0.10 3.56 2.86 -1.74 0.33 114.93 121.63 1pr0 h MET 133 Ca 0.25 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1pr0 h MET 133 Cb -0.05 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 1pr0 h MET 133 CO -0.05 0.73 0.04 0.28 1.06 0.00 0.00 176.91 178.97 1pr0 h VAL 134 N 0.83 1.14 -0.82 -2.22 2.07 -0.88 -1.88 116.25 114.48 1pr0 h VAL 134 Ca 0.19 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1pr0 h VAL 134 Cb 0.23 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1pr0 h VAL 134 CO -0.01 0.13 0.45 -0.09 0.02 0.00 0.00 177.57 178.06 1pr0 h ARG 135 N 0.02 1.15 -0.80 1.57 2.43 -0.88 -0.73 114.38 117.13 1pr0 h ARG 135 Ca 0.03 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1pr0 h ARG 135 Cb 0.16 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1pr0 h ARG 135 CO -0.00 0.85 0.36 -0.91 -1.51 0.00 0.00 179.97 178.75 1pr0 h ASN 136 N 1.14 1.07 -0.30 -3.80 2.35 -0.81 -1.26 115.58 113.98 1pr0 h ASN 136 Ca 0.29 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1pr0 h ASN 136 Cb 0.04 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1pr0 h ASN 136 CO -0.05 0.93 -0.29 0.00 -1.65 0.00 0.00 177.43 176.38 1pr0 h ALA 137 N 1.23 0.44 -0.62 -0.83 0.00 -0.90 -1.15 119.26 117.43 1pr0 h ALA 137 Ca 0.27 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pr0 h ALA 137 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1pr0 h ALA 137 CO -0.03 0.46 0.40 0.28 0.00 0.00 0.00 179.25 180.35 1pr0 h VAL 138 N 0.48 1.12 -0.14 0.00 2.07 -0.94 -0.72 116.25 118.13 1pr0 h VAL 138 Ca 0.05 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1pr0 h VAL 138 Cb 0.86 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1pr0 h VAL 138 CO 0.07 0.15 -0.47 0.44 0.02 0.00 0.00 177.57 177.77 1pr0 h ASP 139 N 0.80 0.38 -0.26 0.57 3.45 -1.17 -2.23 116.42 117.96 1pr0 h ASP 139 Ca 0.24 -0.18 -0.13 0.00 0.43 0.00 0.00 57.03 57.39 1pr0 h ASP 139 Cb -0.05 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.62 1pr0 h ASP 139 CO -0.07 0.80 -0.34 0.00 -1.57 0.00 0.00 179.24 178.06 1pr0 h ALA 140 N 1.22 0.39 -0.70 3.45 0.00 -0.85 -2.24 119.26 120.52 1pr0 h ALA 140 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1pr0 h ALA 140 Cb 0.94 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1pr0 h ALA 140 CO 0.08 0.44 0.40 0.00 0.00 0.00 0.00 179.25 180.17 1pr0 h ALA 141 N 0.67 0.89 -0.72 0.00 0.00 -1.10 -2.08 119.26 116.92 1pr0 h ALA 141 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pr0 h ALA 141 Cb 0.92 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1pr0 h ALA 141 CO 0.08 0.39 0.42 -0.22 0.00 0.00 0.00 179.25 179.92 1pr0 h LYS 142 N 0.95 0.98 0.00 0.00 3.64 -1.31 0.28 116.57 121.12 1pr0 h LYS 142 Ca 0.25 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1pr0 h LYS 142 Cb 0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1pr0 h LYS 142 CO -0.04 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 1pr0 h ALA 143 N 1.22 1.00 -0.51 5.00 0.00 -0.87 -0.80 119.26 124.30 1pr0 h ALA 143 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pr0 h ALA 143 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pr0 h ALA 143 CO -0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1pr0 n LEU 144 N -2.76 3.62 -0.85 0.00 4.77 -0.47 -4.93 117.00 116.38 1pr0 n LEU 144 Ca -0.00 -1.65 -0.08 0.00 -0.03 0.00 0.00 56.01 54.25 1pr0 n LEU 144 Cb 0.18 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1pr0 n LEU 144 CO 0.21 0.83 -0.10 0.61 -1.33 0.00 0.00 177.39 177.61 1pr0 n GLY 145 N 1.57 0.15 3.37 -0.72 0.00 -0.31 -5.03 105.19 104.23 1pr0 n GLY 145 Ca 0.21 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1pr0 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr0 s ILE 146 N -2.38 2.71 -0.85 -0.61 1.01 0.87 -5.00 121.20 116.95 1pr0 s ILE 146 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 1pr0 s ILE 146 Cb 0.00 -2.06 0.22 0.00 0.01 0.00 0.00 42.46 40.63 1pr0 s ILE 146 CO 0.00 0.56 0.77 1.51 0.00 0.00 0.00 174.94 177.78 1pr0 s ASP 147 N -0.20 6.50 0.49 3.58 3.84 -1.26 -3.25 116.67 126.38 1pr0 s ASP 147 Ca -0.01 -2.98 -0.19 0.00 -0.00 0.00 0.00 52.55 49.37 1pr0 s ASP 147 Cb -0.13 -2.12 -0.08 0.00 -1.38 0.00 0.00 42.92 39.21 1pr0 s ASP 147 CO 0.03 -0.45 1.01 0.00 -0.00 0.00 0.00 175.17 175.77 1pr0 s ALA 148 N -0.27 2.91 -0.16 2.11 0.00 -1.26 -4.80 121.76 120.29 1pr0 s ALA 148 Ca 0.21 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 1pr0 s ALA 148 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1pr0 s ALA 148 CO -0.08 -0.27 0.13 1.03 0.00 0.00 0.00 175.76 176.57 1pr0 s ARG 149 N -3.44 3.85 -0.23 0.00 0.52 -0.39 -4.97 118.95 114.30 1pr0 s ARG 149 Ca 0.65 -0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.64 1pr0 s ARG 149 Cb -0.14 -3.30 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1pr0 s ARG 149 CO 0.22 0.49 -0.09 0.08 0.02 0.00 0.00 175.30 176.02 1pr0 s VAL 150 N -0.21 2.75 0.00 3.52 1.01 -1.26 0.18 120.40 126.39 1pr0 s VAL 150 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1pr0 s VAL 150 Cb -0.11 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1pr0 s VAL 150 CO 0.01 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1pr0 n GLY 151 N 4.67 2.69 3.85 4.51 0.00 -0.88 -4.92 105.19 115.12 1pr0 n GLY 151 Ca -0.18 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1pr0 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pr0 s ASN 152 N 2.00 6.69 0.37 1.61 0.01 -1.26 -1.40 114.94 122.95 1pr0 s ASN 152 Ca 0.00 0.82 0.08 0.00 -0.71 0.00 0.00 52.86 53.05 1pr0 s ASN 152 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1pr0 s ASN 152 CO 0.00 0.35 0.20 -0.76 -1.51 0.00 0.00 177.10 175.38 1pr0 s LEU 153 N -1.09 3.28 -0.14 0.60 1.43 -0.50 -0.27 118.68 122.00 1pr0 s LEU 153 Ca 0.21 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1pr0 s LEU 153 Cb -0.15 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1pr0 s LEU 153 CO 0.11 -0.41 -0.13 0.12 0.23 0.00 0.00 176.35 176.27 1pr0 s PHE 154 N -2.46 2.03 -0.39 0.29 5.36 0.17 -0.10 117.98 122.88 1pr0 s PHE 154 Ca 0.40 -1.09 -0.17 0.00 -0.96 0.00 0.00 56.93 55.11 1pr0 s PHE 154 Cb -0.02 -1.51 0.01 0.00 -0.34 0.00 0.00 43.02 41.16 1pr0 s PHE 154 CO 0.24 -0.61 0.43 -1.12 -1.46 0.00 0.00 175.22 172.70 1pr0 s SER 155 N 1.42 6.21 0.01 6.13 0.01 0.15 -1.10 113.70 126.54 1pr0 s SER 155 Ca 0.03 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1pr0 s SER 155 Cb -0.13 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1pr0 s SER 155 CO -0.09 -0.50 0.17 0.00 0.41 0.00 0.00 173.24 173.24 1pr0 s ALA 156 N 2.15 3.92 -0.11 1.44 0.00 -0.53 -2.98 121.76 125.65 1pr0 s ALA 156 Ca 0.13 -0.80 0.16 0.00 0.00 0.00 0.00 51.96 51.44 1pr0 s ALA 156 Cb -0.17 -1.82 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 1pr0 s ALA 156 CO 0.13 0.76 0.96 -0.44 0.00 0.00 0.00 175.76 177.18 1pr0 h ASP 157 N 3.65 0.00 -3.70 0.00 5.19 -1.90 -3.42 116.42 116.25 1pr0 h ASP 157 Ca -0.48 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.24 1pr0 h ASP 157 Cb 1.18 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 40.38 1pr0 h ASP 157 CO 0.70 0.61 -0.65 -0.76 -3.12 0.00 0.00 179.24 176.02 1pr0 s LEU 158 N -5.99 4.20 0.37 1.55 1.43 -1.26 -4.93 118.68 114.05 1pr0 s LEU 158 Ca -0.01 -1.29 0.06 0.00 -1.03 0.00 0.00 54.13 51.86 1pr0 s LEU 158 Cb 0.08 -1.79 0.71 0.00 0.03 0.00 0.00 46.19 45.23 1pr0 s LEU 158 CO 0.80 -0.32 1.93 0.15 0.23 0.00 0.00 176.35 179.14 1pr0 h PHE 159 N 8.10 0.46 -3.49 0.29 3.04 -1.98 -3.21 116.94 120.14 1pr0 h PHE 159 Ca -0.21 -0.03 -0.72 0.00 3.98 0.00 0.00 57.97 60.99 1pr0 h PHE 159 Cb 1.07 -0.14 -0.34 0.00 2.56 0.00 0.00 35.95 39.10 1pr0 h PHE 159 CO 0.60 0.44 -0.14 0.71 -2.02 0.00 0.00 178.31 177.91 1pr0 s TYR 160 N -5.02 3.71 0.25 0.41 2.02 -1.26 -5.07 117.35 112.38 1pr0 s TYR 160 Ca -0.07 -2.75 -0.30 0.00 -0.37 0.00 0.00 57.07 53.58 1pr0 s TYR 160 Cb 0.16 -3.34 -0.09 0.00 -0.40 0.00 0.00 41.96 38.28 1pr0 s TYR 160 CO 0.75 -0.82 1.32 0.45 -1.57 0.00 0.00 175.55 175.68 1pr0 s SER 161 N 0.56 6.84 0.00 2.29 0.15 -1.22 -4.92 113.70 117.41 1pr0 s SER 161 Ca 0.22 2.51 0.16 0.00 0.70 0.00 0.00 55.95 59.55 1pr0 s SER 161 Cb -0.13 -2.62 0.94 0.00 -1.71 0.00 0.00 66.02 62.50 1pr0 s SER 161 CO -0.08 -0.54 1.55 -0.81 1.20 0.00 0.00 173.24 174.56 1pr0 n PRO 162 N 2.05 0.92 -3.21 5.44 -0.04 -1.26 -4.59 135.00 134.30 1pr0 n PRO 162 Ca 0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1pr0 n PRO 162 Cb 0.42 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1pr0 n PRO 162 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1pr0 s ASP 163 N -1.58 -0.87 0.00 3.54 -4.77 -1.26 -5.03 116.67 106.70 1pr0 s ASP 163 Ca 0.24 0.63 0.01 0.00 -3.30 0.00 0.00 52.55 50.13 1pr0 s ASP 163 Cb 0.11 1.82 0.05 0.00 -1.09 0.00 0.00 42.92 43.81 1pr0 s ASP 163 CO 0.18 -0.28 0.85 0.61 0.70 0.00 0.00 175.17 177.24 1pr0 n GLY 164 N 5.41 -0.82 0.17 2.12 0.00 -1.26 -3.78 105.19 107.03 1pr0 n GLY 164 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pr0 n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pr0 h GLU 165 N 0.00 0.04 0.00 1.61 3.07 -1.98 -3.14 114.58 114.18 1pr0 h GLU 165 Ca 0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1pr0 h GLU 165 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pr0 h GLU 165 CO 0.00 0.50 -0.06 1.98 -1.40 0.00 0.00 179.01 180.02 1pr0 h MET 166 N 0.03 0.00 -0.23 2.33 4.05 -2.00 -2.56 114.93 116.54 1pr0 h MET 166 Ca -0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1pr0 h MET 166 Cb 0.83 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 1pr0 h MET 166 CO 0.06 0.06 -0.32 0.74 0.23 0.00 0.00 176.91 177.69 1pr0 h PHE 167 N 0.00 0.55 -0.31 1.39 -1.00 -1.85 0.16 116.94 115.89 1pr0 h PHE 167 Ca -0.00 -0.13 -0.15 0.00 2.81 0.00 0.00 57.97 60.49 1pr0 h PHE 167 Cb 0.19 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1pr0 h PHE 167 CO 0.00 0.74 -0.42 -0.44 -1.61 0.00 0.00 178.31 176.58 1pr0 h ASP 168 N 0.41 0.82 -0.24 2.17 3.45 -1.65 -1.48 116.42 119.91 1pr0 h ASP 168 Ca 0.05 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.12 1pr0 h ASP 168 Cb 0.76 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1pr0 h ASP 168 CO 0.06 1.13 0.12 0.58 -1.57 0.00 0.00 179.24 179.56 1pr0 h VAL 169 N 0.62 1.14 -0.24 -1.35 2.07 -1.31 -0.42 116.25 116.75 1pr0 h VAL 169 Ca 0.04 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1pr0 h VAL 169 Cb 0.98 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1pr0 h VAL 169 CO 0.09 0.14 0.15 0.24 0.02 0.00 0.00 177.57 178.21 1pr0 h MET 170 N 0.26 0.29 -0.66 1.57 2.86 -0.61 -2.33 114.93 116.31 1pr0 h MET 170 Ca 0.08 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1pr0 h MET 170 Cb 0.11 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1pr0 h MET 170 CO -0.01 0.19 0.44 1.49 1.06 0.00 0.00 176.91 180.08 1pr0 h GLU 171 N 0.30 0.87 -0.93 1.72 4.81 -1.11 -1.99 114.58 118.24 1pr0 h GLU 171 Ca 0.09 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1pr0 h GLU 171 Cb -0.02 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.11 1pr0 h GLU 171 CO -0.03 0.57 0.60 -0.22 -0.73 0.00 0.00 179.01 179.20 1pr0 h LYS 172 N 0.89 1.04 -0.68 1.92 3.64 -0.68 -2.09 116.57 120.61 1pr0 h LYS 172 Ca 0.25 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pr0 h LYS 172 Cb -0.09 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 1pr0 h LYS 172 CO -0.06 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.47 1pr0 n TYR 173 N -4.49 1.39 -1.21 1.91 4.01 -0.91 -4.95 117.16 112.91 1pr0 n TYR 173 Ca 0.14 -0.50 -0.07 0.00 -0.16 0.00 0.00 57.90 57.31 1pr0 n TYR 173 Cb 0.19 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.85 1pr0 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pr0 n GLY 174 N 0.58 0.92 3.73 2.72 0.00 -0.79 -5.00 105.19 107.36 1pr0 n GLY 174 Ca 0.20 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1pr0 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr0 s ILE 175 N -2.20 2.08 0.03 -0.61 1.09 -0.80 -4.60 121.20 116.20 1pr0 s ILE 175 Ca 0.00 0.06 -0.08 0.00 -1.10 0.00 0.00 60.65 59.53 1pr0 s ILE 175 Cb 0.00 -3.04 -0.31 0.00 -1.06 0.00 0.00 42.46 38.05 1pr0 s ILE 175 CO 0.00 0.01 0.99 -0.07 -0.10 0.00 0.00 174.94 175.77 1pr0 h LEU 176 N 6.19 0.57 -7.23 2.97 3.38 -0.99 -3.39 115.31 116.82 1pr0 h LEU 176 Ca -0.44 -0.66 -0.06 0.00 0.09 0.00 0.00 57.88 56.81 1pr0 h LEU 176 Cb 1.21 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 1pr0 h LEU 176 CO 0.90 1.53 0.02 -0.83 0.09 0.00 0.00 178.44 180.15 1pr0 s GLY 177 N -4.74 -0.41 -0.25 0.83 0.00 -1.25 -4.21 107.32 97.30 1pr0 s GLY 177 Ca -0.08 0.49 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 1pr0 s GLY 177 CO 0.90 0.20 -0.01 0.14 0.00 0.00 0.00 173.10 174.32 1pr0 s VAL 178 N -2.66 3.37 0.00 1.40 1.01 0.14 -0.65 120.40 123.00 1pr0 s VAL 178 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1pr0 s VAL 178 Cb -0.00 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1pr0 s VAL 178 CO -0.04 0.25 0.00 -1.84 0.00 0.00 0.00 175.10 173.48 1pr0 n GLU 179 N 4.77 1.85 -0.29 2.72 -0.00 -0.26 -1.54 120.64 127.90 1pr0 n GLU 179 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.01 1pr0 n GLU 179 Cb 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.95 1pr0 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pr0 n MET 180 N 0.00 0.46 0.00 3.44 2.81 -1.26 -1.45 117.12 121.11 1pr0 n MET 180 Ca 0.00 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 1pr0 n MET 180 Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1pr0 n MET 180 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1pr0 n GLU 181 N -0.31 0.66 -0.33 0.03 0.00 -1.26 -1.89 120.64 117.53 1pr0 n GLU 181 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.32 1pr0 n GLU 181 Cb 0.62 -0.05 0.32 0.00 0.00 0.00 0.00 31.44 32.32 1pr0 n GLU 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pr0 h ALA 182 N 0.00 1.57 -0.19 -1.84 0.00 -1.95 0.22 119.26 117.07 1pr0 h ALA 182 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1pr0 h ALA 182 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pr0 h ALA 182 CO 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 179.25 178.79 1pr0 h ALA 183 N 1.67 1.20 -0.15 0.00 0.00 -1.84 -1.35 119.26 118.77 1pr0 h ALA 183 Ca 0.57 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1pr0 h ALA 183 Cb 0.99 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1pr0 h ALA 183 CO -0.44 0.52 -0.67 0.78 0.00 0.00 0.00 179.25 179.44 1pr0 h GLY 184 N 1.02 0.80 1.05 0.00 0.00 -1.37 -2.19 103.07 102.38 1pr0 h GLY 184 Ca 0.05 -1.10 -0.08 0.00 0.00 0.00 0.00 47.33 46.19 1pr0 h GLY 184 CO 0.05 0.98 0.04 -2.22 0.00 0.00 0.00 176.54 175.39 1pr0 h ILE 185 N 0.42 1.26 -0.08 2.60 2.04 -1.12 -1.56 117.51 121.08 1pr0 h ILE 185 Ca -0.04 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1pr0 h ILE 185 Cb 1.30 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1pr0 h ILE 185 CO 0.14 0.39 -0.28 1.88 0.00 0.00 0.00 178.15 180.29 1pr0 h TYR 186 N 0.92 0.15 -0.24 1.37 0.99 -1.26 -1.29 116.97 117.61 1pr0 h TYR 186 Ca 0.17 -0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.68 1pr0 h TYR 186 Cb 0.50 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1pr0 h TYR 186 CO 0.04 0.41 -0.61 0.78 -0.00 0.00 0.00 178.16 178.77 1pr0 h GLY 187 N 0.95 0.89 2.00 3.88 0.00 -0.91 -2.37 103.07 107.51 1pr0 h GLY 187 Ca 0.02 -1.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.10 1pr0 h GLY 187 CO 0.04 0.98 -0.72 -0.39 0.00 0.00 0.00 176.54 176.45 1pr0 h VAL 188 N 0.60 1.49 -0.68 4.60 -1.51 -1.06 -1.47 116.25 118.23 1pr0 h VAL 188 Ca -0.00 -2.50 -0.06 0.00 -1.23 0.00 0.00 66.70 62.91 1pr0 h VAL 188 Cb 1.22 2.36 -0.03 0.00 -2.13 0.00 0.00 31.29 32.71 1pr0 h VAL 188 CO 0.13 0.71 0.19 0.00 -1.23 0.00 0.00 177.57 177.37 1pr0 h ALA 189 N 1.28 0.90 -0.29 5.19 0.00 -1.19 -0.19 119.26 124.95 1pr0 h ALA 189 Ca -0.01 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1pr0 h ALA 189 Cb 1.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pr0 h ALA 189 CO 0.09 0.59 -0.53 0.00 0.00 0.00 0.00 179.25 179.41 1pr0 h ALA 190 N 1.09 0.45 -0.21 0.00 0.00 -1.32 -0.25 119.26 119.02 1pr0 h ALA 190 Ca 0.22 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1pr0 h ALA 190 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pr0 h ALA 190 CO -0.00 0.65 -0.31 1.49 0.00 0.00 0.00 179.25 181.08 1pr0 h GLU 191 N 0.65 0.42 -0.24 0.00 4.81 -0.97 -3.24 114.58 116.01 1pr0 h GLU 191 Ca 0.02 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1pr0 h GLU 191 Cb 1.14 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1pr0 h GLU 191 CO 0.12 0.69 0.00 1.19 -0.73 0.00 0.00 179.01 180.27 1pr0 n PHE 192 N -4.09 0.70 -3.40 0.92 3.01 -0.11 -5.02 117.46 109.47 1pr0 n PHE 192 Ca -0.01 -0.78 -0.19 0.00 1.01 0.00 0.00 57.45 57.48 1pr0 n PHE 192 Cb 0.43 -0.22 0.08 0.00 -0.01 0.00 0.00 39.48 39.76 1pr0 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr0 n GLY 193 N -0.36 -0.35 1.10 1.37 0.00 -0.58 -4.95 105.19 101.42 1pr0 n GLY 193 Ca 0.18 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 1pr0 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr0 n ALA 194 N -4.35 0.13 -2.40 4.61 0.00 -0.21 -5.04 120.51 113.26 1pr0 n ALA 194 Ca -0.12 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.35 1pr0 n ALA 194 Cb 0.60 0.38 -0.15 0.00 0.00 0.00 0.00 19.45 20.28 1pr0 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pr0 s LYS 195 N -2.56 1.69 0.09 0.00 1.02 -0.57 -4.60 119.74 114.81 1pr0 s LYS 195 Ca 0.00 -0.97 -0.07 0.00 0.02 0.00 0.00 55.97 54.95 1pr0 s LYS 195 Cb 0.00 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 1pr0 s LYS 195 CO 0.00 0.47 0.14 0.00 -0.92 0.00 0.00 175.35 175.04 1pr0 s ALA 196 N -0.73 -0.01 -0.21 5.17 0.00 -1.26 -1.50 121.76 123.22 1pr0 s ALA 196 Ca 0.10 -0.80 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1pr0 s ALA 196 Cb -0.09 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.57 1pr0 s ALA 196 CO 0.01 -0.49 0.59 -1.17 0.00 0.00 0.00 175.76 174.70 1pr0 s LEU 197 N -2.89 -0.25 -0.15 0.00 2.96 -0.57 -1.72 118.68 116.06 1pr0 s LEU 197 Ca 0.07 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1pr0 s LEU 197 Cb 0.06 2.03 -0.00 0.00 0.50 0.00 0.00 46.19 48.77 1pr0 s LEU 197 CO -0.09 -0.22 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.66 1pr0 s THR 198 N 0.24 2.59 -0.04 3.68 2.01 -1.26 0.02 115.64 122.87 1pr0 s THR 198 Ca -0.01 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1pr0 s THR 198 Cb -0.04 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1pr0 s THR 198 CO 0.01 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 1pr0 s ILE 199 N 0.78 1.91 0.04 1.82 1.01 0.41 -0.87 121.20 126.29 1pr0 s ILE 199 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.59 1pr0 s ILE 199 Cb -0.15 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1pr0 s ILE 199 CO 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 174.94 175.43 1pr0 s THR 201 N -2.23 3.49 -0.46 0.00 -4.23 -0.87 0.48 115.64 111.82 1pr0 s THR 201 Ca -0.06 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 59.46 1pr0 s THR 201 Cb -0.04 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1pr0 s THR 201 CO -0.03 0.49 1.46 -0.69 -0.54 0.00 0.00 174.62 175.31 1pr0 s VAL 202 N -0.88 3.81 -0.07 2.29 1.01 -0.84 -1.94 120.40 123.78 1pr0 s VAL 202 Ca 0.14 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.66 1pr0 s VAL 202 Cb -0.11 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 31.86 1pr0 s VAL 202 CO 0.04 -0.86 0.95 0.77 0.00 0.00 0.00 175.10 176.00 1pr0 h SER 203 N 11.18 -0.07 -5.40 3.32 4.64 -1.27 -3.10 113.55 122.85 1pr0 h SER 203 Ca -0.28 -0.56 -0.33 0.00 -0.47 0.00 0.00 61.79 60.15 1pr0 h SER 203 Cb 1.11 0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 1pr0 h SER 203 CO 1.12 0.58 -0.58 1.51 -0.87 0.00 0.00 176.83 178.58 1pr0 s ASP 204 N -5.75 0.83 -0.10 4.97 -4.77 -1.24 -4.50 116.67 106.12 1pr0 s ASP 204 Ca -0.15 -1.50 -0.01 0.00 -3.30 0.00 0.00 52.55 47.59 1pr0 s ASP 204 Cb -0.00 0.40 0.03 0.00 -1.09 0.00 0.00 42.92 42.26 1pr0 s ASP 204 CO 0.58 -0.89 -0.03 -2.28 0.70 0.00 0.00 175.17 173.26 1pr0 s HIS 205 N -3.87 1.05 0.57 2.11 2.46 -1.24 0.17 115.29 116.54 1pr0 s HIS 205 Ca 0.39 -0.47 0.26 0.00 0.47 0.00 0.00 55.06 55.71 1pr0 s HIS 205 Cb 0.06 -1.00 1.56 0.00 -0.13 0.00 0.00 32.58 33.07 1pr0 s HIS 205 CO 0.17 -0.43 2.10 0.82 -2.47 0.00 0.00 174.74 174.93 1pr0 h ILE 206 N 6.28 0.60 0.00 0.89 5.03 -1.57 -2.98 117.51 125.77 1pr0 h ILE 206 Ca -0.23 0.00 -0.63 0.00 -0.12 0.00 0.00 64.86 63.87 1pr0 h ILE 206 Cb 1.13 0.86 0.01 0.00 -3.03 0.00 0.00 36.82 35.78 1pr0 h ILE 206 CO 0.33 0.00 3.04 0.54 -0.68 0.00 0.00 178.15 181.37 1pr0 n ARG 207 N -4.02 2.62 0.00 2.37 5.12 -1.26 -4.24 116.66 117.25 1pr0 n ARG 207 Ca 0.02 -2.15 0.00 0.00 -1.93 0.00 0.00 57.85 53.79 1pr0 n ARG 207 Cb 0.32 -2.96 0.00 0.00 -1.16 0.00 0.00 32.46 28.66 1pr0 n ARG 207 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1pr0 n THR 208 N 4.81 0.00 -1.54 0.55 -1.04 -1.13 -4.96 114.28 110.97 1pr0 n THR 208 Ca 0.57 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.30 1pr0 n THR 208 Cb 0.31 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.75 1pr0 n THR 208 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pr0 n HIS 209 N 0.74 1.12 -3.72 -1.42 1.44 -1.21 -4.40 115.22 107.77 1pr0 n HIS 209 Ca 0.00 0.10 -0.12 0.00 -2.01 0.00 0.00 57.72 55.68 1pr0 n HIS 209 Cb 0.00 -2.43 -0.13 0.00 0.12 0.00 0.00 29.99 27.55 1pr0 n HIS 209 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1pr0 s GLU 210 N 8.48 0.21 -0.30 -1.40 -1.05 -1.26 -5.02 118.70 118.37 1pr0 s GLU 210 Ca 1.04 0.58 -0.08 0.00 -0.15 0.00 0.00 54.97 56.36 1pr0 s GLU 210 Cb -0.34 -0.10 0.18 0.00 -0.44 0.00 0.00 34.13 33.43 1pr0 s GLU 210 CO 0.25 -0.18 0.91 -1.14 0.95 0.00 0.00 175.26 176.06 1pr0 s GLN 211 N 1.42 0.29 -0.26 -4.83 0.74 -1.26 -3.68 119.66 112.08 1pr0 s GLN 211 Ca -0.08 0.43 -0.04 0.00 0.05 0.00 0.00 55.36 55.73 1pr0 s GLN 211 Cb -0.10 0.23 0.09 0.00 1.10 0.00 0.00 33.01 34.32 1pr0 s GLN 211 CO -0.09 -0.40 0.11 -0.08 -0.55 0.00 0.00 175.29 174.28 1pr0 s THR 212 N 2.92 0.11 0.52 -0.34 -1.32 -1.26 -5.05 115.64 111.22 1pr0 s THR 212 Ca 0.11 -0.70 -0.15 0.00 -1.21 0.00 0.00 61.69 59.74 1pr0 s THR 212 Cb -0.09 -0.99 -0.13 0.00 -1.51 0.00 0.00 72.50 69.78 1pr0 s THR 212 CO -0.17 -0.57 -0.22 1.07 -2.21 0.00 0.00 174.62 172.51 1pr0 n THR 213 N 5.18 0.00 -3.87 5.08 5.66 -1.26 -4.95 114.28 120.13 1pr0 n THR 213 Ca -0.06 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1pr0 n THR 213 Cb 0.44 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.23 1pr0 n THR 213 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pr0 s ALA 214 N -1.73 -2.08 0.36 1.79 0.00 -1.26 -4.97 121.76 113.88 1pr0 s ALA 214 Ca 0.46 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1pr0 s ALA 214 Cb -0.38 0.73 0.70 0.00 0.00 0.00 0.00 23.12 24.17 1pr0 s ALA 214 CO 0.60 -1.10 1.94 0.00 0.00 0.00 0.00 175.76 177.21 1pr0 h ALA 215 N 2.00 1.49 0.00 0.00 0.00 -1.98 -0.81 119.26 119.96 1pr0 h ALA 215 Ca -0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1pr0 h ALA 215 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1pr0 h ALA 215 CO 0.32 0.38 -0.25 0.93 0.00 0.00 0.00 179.25 180.63 1pr0 h GLU 216 N 0.53 0.00 0.20 0.00 4.39 -1.98 -0.55 114.58 117.17 1pr0 h GLU 216 Ca 0.13 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.52 1pr0 h GLU 216 Cb 0.18 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1pr0 h GLU 216 CO -0.01 0.25 -1.30 0.00 -1.16 0.00 0.00 179.01 176.79 1pr0 h ARG 217 N 0.00 0.53 -0.01 2.33 3.08 -1.81 -2.43 114.38 116.07 1pr0 h ARG 217 Ca -0.00 -0.84 -0.10 0.00 0.07 0.00 0.00 59.98 59.11 1pr0 h ARG 217 Cb 1.14 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 1pr0 h ARG 217 CO 0.03 1.39 -0.47 1.96 -1.07 0.00 0.00 179.97 181.81 1pr0 h GLN 218 N 0.10 0.04 -0.35 0.04 4.20 -1.16 -0.53 115.11 117.44 1pr0 h GLN 218 Ca -0.22 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1pr0 h GLN 218 Cb 2.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1pr0 h GLN 218 CO 0.25 0.50 -0.14 1.15 -0.67 0.00 0.00 178.83 179.92 1pr0 h THR 219 N 0.03 1.28 -0.30 -0.54 2.02 -1.10 -2.26 112.91 112.04 1pr0 h THR 219 Ca -0.00 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 65.84 1pr0 h THR 219 Cb 0.85 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1pr0 h THR 219 CO 0.06 0.41 -0.23 0.74 0.37 0.00 0.00 175.52 176.87 1pr0 h THR 220 N 0.50 1.27 -0.60 3.16 2.02 -1.07 -1.92 112.91 116.27 1pr0 h THR 220 Ca 0.08 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 1pr0 h THR 220 Cb 0.67 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1pr0 h THR 220 CO 0.05 0.41 0.06 0.15 0.37 0.00 0.00 175.52 176.56 1pr0 h PHE 221 N 0.51 1.09 -0.24 3.16 3.04 -0.99 -2.23 116.94 121.28 1pr0 h PHE 221 Ca 0.08 -0.17 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 1pr0 h PHE 221 Cb 0.67 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1pr0 h PHE 221 CO 0.03 0.95 -0.15 -0.91 -2.02 0.00 0.00 178.31 176.20 1pr0 h ASN 222 N 0.91 0.40 -0.57 0.41 2.35 -1.17 -2.47 115.58 115.45 1pr0 h ASN 222 Ca 0.18 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1pr0 h ASN 222 Cb 0.48 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1pr0 h ASN 222 CO 0.02 0.58 0.24 0.44 -1.65 0.00 0.00 177.43 177.05 1pr0 h ASP 223 N 0.38 0.78 -0.33 5.81 3.32 -1.00 -0.55 116.42 124.83 1pr0 h ASP 223 Ca 0.07 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1pr0 h ASP 223 Cb 0.50 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1pr0 h ASP 223 CO 0.03 0.73 0.09 -0.03 -1.72 0.00 0.00 179.24 178.34 1pr0 h MET 224 N 0.78 0.21 -0.89 3.56 1.85 -0.99 0.37 114.93 119.82 1pr0 h MET 224 Ca 0.19 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 1pr0 h MET 224 Cb 0.19 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1pr0 h MET 224 CO -0.02 0.14 0.57 0.82 -0.40 0.00 0.00 176.91 178.03 1pr0 h ILE 225 N 0.21 1.24 -0.52 1.77 1.08 -1.10 0.62 117.51 120.81 1pr0 h ILE 225 Ca 0.15 -0.46 -0.07 0.00 -0.39 0.00 0.00 64.86 64.09 1pr0 h ILE 225 Cb 0.15 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.81 1pr0 h ILE 225 CO -0.18 0.23 0.04 0.11 -0.69 0.00 0.00 178.15 177.66 1pr0 h LYS 226 N 1.22 0.85 -0.50 2.37 1.57 -0.49 0.06 116.57 121.65 1pr0 h LYS 226 Ca 0.33 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1pr0 h LYS 226 Cb -0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1pr0 h LYS 226 CO -0.07 0.82 0.10 0.82 -0.57 0.00 0.00 179.45 180.55 1pr0 h ILE 227 N 0.80 1.25 0.37 1.86 2.04 -0.14 0.22 117.51 123.91 1pr0 h ILE 227 Ca 0.16 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1pr0 h ILE 227 Cb 0.42 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1pr0 h ILE 227 CO 0.01 0.32 -0.18 0.00 0.00 0.00 0.00 178.15 178.31 1pr0 h ALA 228 N 0.98 -0.50 -0.53 1.87 0.00 -0.36 -0.14 119.26 120.58 1pr0 h ALA 228 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pr0 h ALA 228 Cb 0.37 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1pr0 h ALA 228 CO 0.01 -0.75 0.29 -0.07 0.00 0.00 0.00 179.25 178.73 1pr0 h LEU 229 N -0.56 0.66 -1.11 0.00 3.38 -0.92 -2.64 115.31 114.11 1pr0 h LEU 229 Ca -0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1pr0 h LEU 229 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1pr0 h LEU 229 CO 0.08 0.56 -0.36 -0.33 0.09 0.00 0.00 178.44 178.49 1pr0 h GLU 230 N 0.70 0.00 -0.08 1.13 4.39 -0.54 -2.93 114.58 117.25 1pr0 h GLU 230 Ca 0.19 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.76 1pr0 h GLU 230 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1pr0 h GLU 230 CO -0.03 0.36 -0.52 0.66 -1.16 0.00 0.00 179.01 178.31 1pr0 h SER 231 N 0.00 0.26 0.50 1.42 4.64 -0.67 -2.52 113.55 117.18 1pr0 h SER 231 Ca -0.00 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 1pr0 h SER 231 Cb 0.80 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1pr0 h SER 231 CO 0.05 0.73 -0.58 -0.37 -0.87 0.00 0.00 176.83 175.79 1pr0 h VAL 232 N 0.18 1.41 -0.22 0.95 -1.51 -1.32 -2.02 116.25 113.72 1pr0 h VAL 232 Ca 0.00 -1.98 -0.02 0.00 -1.23 0.00 0.00 66.70 63.48 1pr0 h VAL 232 Cb 0.99 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 32.18 1pr0 h VAL 232 CO 0.08 0.57 0.07 -0.07 -1.23 0.00 0.00 177.57 177.00 1pr0 h LEU 233 N 0.07 0.32 -0.99 4.19 4.07 -1.39 -0.81 115.31 120.76 1pr0 h LEU 233 Ca -0.01 -0.20 0.03 0.00 0.08 0.00 0.00 57.88 57.78 1pr0 h LEU 233 Cb 1.05 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.65 1pr0 h LEU 233 CO 0.08 0.43 0.65 -0.07 -1.08 0.00 0.00 178.44 178.46 1pr0 h LEU 234 N 0.19 1.11 -0.75 1.67 3.38 -1.28 -2.09 115.31 117.54 1pr0 h LEU 234 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1pr0 h LEU 234 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1pr0 h LEU 234 CO -0.00 0.78 0.34 1.23 0.09 0.00 0.00 178.44 180.88 1pr0 h GLY 235 N 1.29 1.18 0.82 0.83 0.00 -1.00 -2.55 103.07 103.66 1pr0 h GLY 235 Ca 0.38 -0.61 0.11 0.00 0.00 0.00 0.00 47.33 47.22 1pr0 h GLY 235 CO -0.11 0.57 0.50 -0.55 0.00 0.00 0.00 176.54 176.95 1pr0 h ASP 236 N 1.07 0.55 0.00 0.19 3.32 -0.44 -3.51 116.42 117.60 1pr0 h ASP 236 Ca 0.26 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1pr0 h ASP 236 Cb 0.15 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1pr0 h ASP 236 CO -0.03 0.32 0.00 0.29 -1.72 0.00 0.00 179.24 178.10