#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioi s LYS 2 N 0.00 1.65 -0.09 0.03 1.02 -1.26 -1.95 119.74 119.14 1ioi s LYS 2 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1ioi s LYS 2 Cb 0.00 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 35.85 1ioi s LYS 2 CO 0.00 0.29 -0.07 0.08 -0.92 0.00 0.00 175.35 174.72 1ioi s VAL 3 N -0.11 0.91 -0.04 3.17 1.01 0.07 -1.18 120.40 124.23 1ioi s VAL 3 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1ioi s VAL 3 Cb -0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1ioi s VAL 3 CO 0.01 0.33 0.34 -0.22 0.00 0.00 0.00 175.10 175.57 1ioi s LEU 4 N 1.42 4.44 -0.06 3.92 0.20 -0.72 0.01 118.68 127.90 1ioi s LEU 4 Ca -0.01 0.82 0.00 0.00 0.69 0.00 0.00 54.13 55.63 1ioi s LEU 4 Cb -0.13 -2.46 0.02 0.00 -0.43 0.00 0.00 46.19 43.19 1ioi s LEU 4 CO -0.04 0.33 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.63 1ioi s VAL 5 N -0.95 0.49 0.26 1.68 1.01 -0.08 -1.11 120.40 121.71 1ioi s VAL 5 Ca 0.21 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1ioi s VAL 5 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1ioi s VAL 5 CO 0.11 0.24 -0.07 0.42 0.00 0.00 0.00 175.10 175.80 1ioi s THR 6 N 1.36 3.13 0.23 3.92 -4.23 -0.68 -0.41 115.64 118.96 1ioi s THR 6 Ca -0.04 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1ioi s THR 6 Cb -0.13 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1ioi s THR 6 CO -0.02 -0.35 0.32 -0.83 -0.54 0.00 0.00 174.62 173.19 1ioi s GLY 7 N -3.52 1.00 0.16 3.99 0.00 -0.36 -2.28 107.32 106.31 1ioi s GLY 7 Ca 0.30 -1.29 0.09 0.00 0.00 0.00 0.00 44.72 43.83 1ioi s GLY 7 CO 0.18 -1.00 -0.15 -1.36 0.00 0.00 0.00 173.10 170.76 1ioi s PHE 8 N -4.05 2.53 0.84 1.90 0.40 -1.26 -0.36 117.98 117.99 1ioi s PHE 8 Ca 0.30 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 1ioi s PHE 8 Cb 0.03 -1.27 0.10 0.00 0.51 0.00 0.00 43.02 42.39 1ioi s PHE 8 CO 0.11 0.47 1.13 -1.83 0.70 0.00 0.00 175.22 175.80 1ioi s GLU 9 N -2.57 1.57 0.47 0.44 -1.05 -1.17 -2.62 118.70 113.77 1ioi s GLU 9 Ca 0.22 1.45 -0.24 0.00 -0.15 0.00 0.00 54.97 56.24 1ioi s GLU 9 Cb -0.09 -1.80 -0.07 0.00 -0.44 0.00 0.00 34.13 31.73 1ioi s GLU 9 CO 0.12 -2.20 1.39 -1.25 0.95 0.00 0.00 175.26 174.27 1ioi s PRO 10 N -4.64 3.58 0.26 -4.83 0.04 -1.26 -4.78 135.00 123.37 1ioi s PRO 10 Ca 0.66 2.32 0.01 0.00 0.04 0.00 0.00 61.00 64.03 1ioi s PRO 10 Cb -0.22 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1ioi s PRO 10 CO 0.56 -0.86 0.13 -0.59 0.04 0.00 0.00 177.00 176.27 1ioi s PHE 11 N -1.25 1.46 -1.02 0.56 -0.71 -1.26 -4.93 117.98 110.83 1ioi s PHE 11 Ca 0.63 -1.31 -0.08 0.00 -1.04 0.00 0.00 56.93 55.13 1ioi s PHE 11 Cb -0.42 -0.78 0.08 0.00 -1.21 0.00 0.00 43.02 40.69 1ioi s PHE 11 CO 0.52 -0.49 0.20 0.41 -1.34 0.00 0.00 175.22 174.52 1ioi n GLY 12 N -0.45 -0.16 1.52 1.99 0.00 -1.26 -1.18 105.19 105.64 1ioi n GLY 12 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ioi n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ioi n GLY 13 N -1.32 0.77 3.75 -0.02 0.00 -1.26 -5.02 105.19 102.09 1ioi n GLY 13 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1ioi n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ioi s GLU 14 N -0.49 4.66 0.33 1.61 0.41 -0.32 -4.91 118.70 119.98 1ioi s GLU 14 Ca 0.00 1.72 0.17 0.00 -0.41 0.00 0.00 54.97 56.46 1ioi s GLU 14 Cb 0.00 -3.24 0.27 0.00 -1.78 0.00 0.00 34.13 29.38 1ioi s GLU 14 CO 0.00 0.21 1.54 -0.22 -0.49 0.00 0.00 175.26 176.30 1ioi h LYS 15 N 4.35 0.00 -2.98 1.61 3.11 -1.95 -3.39 116.57 117.31 1ioi h LYS 15 Ca -0.46 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.27 1ioi h LYS 15 Cb 1.21 0.00 -0.20 0.00 -1.00 0.00 0.00 32.23 32.24 1ioi h LYS 15 CO 0.69 0.40 -0.26 -1.50 -2.81 0.00 0.00 179.45 175.97 1ioi s ILE 16 N -3.13 0.05 -0.23 2.00 -1.16 -1.26 -4.90 121.20 112.57 1ioi s ILE 16 Ca 0.03 -0.42 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 1ioi s ILE 16 Cb 0.08 -0.62 0.06 0.00 0.61 0.00 0.00 42.46 42.59 1ioi s ILE 16 CO 0.72 -0.23 -0.06 0.21 -2.81 0.00 0.00 174.94 172.77 1ioi s ASN 17 N -1.20 3.76 0.47 4.50 3.84 -1.26 -4.71 114.94 120.34 1ioi s ASN 17 Ca -0.12 -1.13 0.23 0.00 0.21 0.00 0.00 52.86 52.05 1ioi s ASN 17 Cb -0.05 -1.16 1.24 0.00 -0.55 0.00 0.00 41.25 40.73 1ioi s ASN 17 CO 0.04 -0.23 1.66 1.55 -2.79 0.00 0.00 177.10 177.33 1ioi h PRO 18 N 7.97 0.00 0.00 0.43 0.13 -1.93 -2.69 132.00 135.91 1ioi h PRO 18 Ca -0.19 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.73 1ioi h PRO 18 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1ioi h PRO 18 CO 0.42 0.00 -1.15 1.79 -0.23 0.00 0.00 178.00 178.82 1ioi h THR 19 N 0.00 1.25 0.28 1.56 1.35 -1.93 -1.50 112.91 113.93 1ioi h THR 19 Ca 0.00 -2.93 -0.01 0.00 -0.55 0.00 0.00 66.41 62.92 1ioi h THR 19 Cb 0.49 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 1ioi h THR 19 CO 0.00 0.71 -0.19 -0.08 -0.25 0.00 0.00 175.52 175.72 1ioi h GLU 20 N 0.00 -0.44 -0.51 4.72 4.81 -1.23 -0.40 114.58 121.52 1ioi h GLU 20 Ca -0.10 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1ioi h GLU 20 Cb 1.76 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.22 1ioi h GLU 20 CO 0.10 -0.30 0.17 -0.09 -0.73 0.00 0.00 179.01 178.17 1ioi h ARG 21 N -0.46 0.75 -0.71 1.92 2.43 -1.63 -2.08 114.38 114.60 1ioi h ARG 21 Ca -0.02 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1ioi h ARG 21 Cb 0.39 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1ioi h ARG 21 CO 0.01 0.65 0.27 0.82 -1.51 0.00 0.00 179.97 180.21 1ioi h ILE 22 N 0.74 1.25 -0.46 1.20 2.04 -1.06 -1.43 117.51 119.78 1ioi h ILE 22 Ca 0.17 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1ioi h ILE 22 Cb 0.20 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1ioi h ILE 22 CO -0.01 0.32 0.25 0.00 0.00 0.00 0.00 178.15 178.71 1ioi h ALA 23 N 1.25 0.59 0.00 1.87 0.00 -0.64 -2.14 119.26 120.20 1ioi h ALA 23 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1ioi h ALA 23 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ioi h ALA 23 CO -0.02 0.12 -0.52 0.87 0.00 0.00 0.00 179.25 179.70 1ioi h LYS 24 N 0.61 0.00 0.00 0.00 1.57 -1.34 -2.34 116.57 115.08 1ioi h LYS 24 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ioi h LYS 24 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ioi h LYS 24 CO -0.03 0.52 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.52 1ioi h ASP 25 N 0.00 0.00 -0.01 0.86 3.45 -0.97 -3.27 116.42 116.48 1ioi h ASP 25 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1ioi h ASP 25 Cb 1.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1ioi h ASP 25 CO 0.07 0.09 -0.18 0.18 -1.57 0.00 0.00 179.24 177.82 1ioi n LEU 26 N -2.98 2.44 -4.68 1.55 4.77 -0.83 -4.86 117.00 112.41 1ioi n LEU 26 Ca 0.02 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 1ioi n LEU 26 Cb 0.58 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1ioi n LEU 26 CO 0.37 0.42 0.98 -0.62 -1.33 0.00 0.00 177.39 177.21 1ioi s ASP 27 N -2.20 7.03 0.00 -1.43 3.68 -0.90 -2.67 116.67 120.19 1ioi s ASP 27 Ca 0.25 1.76 0.00 0.00 2.13 0.00 0.00 52.55 56.70 1ioi s ASP 27 Cb 0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 1ioi s ASP 27 CO 0.41 -0.63 0.00 0.61 0.13 0.00 0.00 175.17 175.69 1ioi n GLY 28 N 3.42 0.65 3.98 2.66 0.00 -0.42 -4.91 105.19 110.58 1ioi n GLY 28 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1ioi n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ioi s ILE 29 N -2.26 2.30 -0.01 -0.61 -4.36 -1.09 -4.86 121.20 110.31 1ioi s ILE 29 Ca 0.00 -0.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.82 1ioi s ILE 29 Cb 0.00 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1ioi s ILE 29 CO 0.00 0.00 -0.01 -0.54 0.24 0.00 0.00 174.94 174.63 1ioi s LYS 30 N -5.06 0.25 -0.60 0.37 1.02 -1.26 -1.81 119.74 112.65 1ioi s LYS 30 Ca 0.63 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.58 1ioi s LYS 30 Cb -0.07 -0.33 0.16 0.00 -0.52 0.00 0.00 37.83 37.06 1ioi s LYS 30 CO 0.43 -0.03 0.41 0.42 -0.92 0.00 0.00 175.35 175.66 1ioi s ILE 31 N 0.44 3.64 0.00 2.17 1.01 -0.62 -4.93 121.20 122.91 1ioi s ILE 31 Ca -0.04 -2.89 0.00 0.00 0.00 0.00 0.00 60.65 57.72 1ioi s ILE 31 Cb -0.07 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1ioi s ILE 31 CO -0.01 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.68 1ioi n GLY 32 N 3.57 2.77 0.35 6.18 0.00 -1.26 -2.08 105.19 114.72 1ioi n GLY 32 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1ioi n GLY 32 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ioi h ASP 33 N 0.00 0.66 -3.37 1.61 2.03 -2.00 -3.45 116.42 111.91 1ioi h ASP 33 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1ioi h ASP 33 Cb 0.00 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 38.32 1ioi h ASP 33 CO 0.00 0.43 0.31 0.00 -1.03 0.00 0.00 179.24 178.95 1ioi s ALA 34 N -5.67 3.28 -0.00 4.15 0.00 -0.88 -4.47 121.76 118.15 1ioi s ALA 34 Ca -0.10 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 1ioi s ALA 34 Cb 0.19 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1ioi s ALA 34 CO 0.77 -0.28 0.62 -1.14 0.00 0.00 0.00 175.76 175.73 1ioi s GLN 35 N 1.19 4.35 -0.09 0.00 -0.44 -0.82 -1.58 119.66 122.27 1ioi s GLN 35 Ca 0.46 0.78 -0.00 0.00 -2.50 0.00 0.00 55.36 54.10 1ioi s GLN 35 Cb -0.19 -3.35 -0.03 0.00 -1.64 0.00 0.00 33.01 27.79 1ioi s GLN 35 CO 0.22 0.33 -0.06 0.08 0.50 0.00 0.00 175.29 176.37 1ioi s VAL 36 N -0.09 3.80 -0.08 1.34 1.01 -0.75 -0.75 120.40 124.88 1ioi s VAL 36 Ca 0.32 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1ioi s VAL 36 Cb -0.18 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1ioi s VAL 36 CO 0.18 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.34 1ioi s PHE 37 N -0.55 1.78 -0.15 5.22 0.40 0.10 -1.30 117.98 123.48 1ioi s PHE 37 Ca 0.08 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 1ioi s PHE 37 Cb -0.12 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.16 1ioi s PHE 37 CO 0.02 -0.32 -0.20 0.20 0.70 0.00 0.00 175.22 175.61 1ioi s GLY 38 N 0.59 1.38 0.02 4.36 0.00 -1.26 -0.90 107.32 111.52 1ioi s GLY 38 Ca -0.15 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.48 1ioi s GLY 38 CO 0.05 0.05 -0.09 0.50 0.00 0.00 0.00 173.10 173.61 1ioi s ARG 39 N 0.92 0.61 -0.23 2.90 1.81 0.45 -4.71 118.95 120.71 1ioi s ARG 39 Ca -0.04 -0.51 -0.08 0.00 -1.72 0.00 0.00 55.73 53.37 1ioi s ARG 39 Cb -0.15 -0.53 -0.04 0.00 -0.45 0.00 0.00 34.95 33.78 1ioi s ARG 39 CO -0.04 0.13 0.08 0.08 -0.68 0.00 0.00 175.30 174.87 1ioi s VAL 40 N -0.70 4.62 0.18 3.52 1.01 -1.26 -1.23 120.40 126.56 1ioi s VAL 40 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1ioi s VAL 40 Cb -0.06 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 1ioi s VAL 40 CO 0.00 0.37 0.43 -0.76 0.00 0.00 0.00 175.10 175.15 1ioi s LEU 41 N 1.16 4.22 0.56 3.92 1.43 0.51 -4.92 118.68 125.55 1ioi s LEU 41 Ca 0.05 0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 53.59 1ioi s LEU 41 Cb -0.14 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1ioi s LEU 41 CO 0.04 -0.01 1.29 -2.16 0.23 0.00 0.00 176.35 175.74 1ioi s PRO 42 N -2.86 3.10 -1.17 1.29 0.04 -1.26 -3.04 135.00 131.09 1ioi s PRO 42 Ca 0.42 2.07 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 1ioi s PRO 42 Cb -0.12 -2.15 0.24 0.00 0.04 0.00 0.00 34.50 32.52 1ioi s PRO 42 CO 0.25 -1.17 1.69 0.28 0.04 0.00 0.00 177.00 178.08 1ioi n VAL 43 N -1.20 4.92 -3.49 -0.36 0.31 -1.26 -4.45 118.33 112.79 1ioi n VAL 43 Ca 0.11 -5.22 -0.15 0.00 -0.01 0.00 0.00 64.34 59.08 1ioi n VAL 43 Cb 0.47 -2.19 -0.12 0.00 -0.91 0.00 0.00 33.84 31.09 1ioi n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ioi s VAL 44 N -1.38 -0.42 0.36 2.52 1.01 -1.26 0.81 120.40 122.03 1ioi s VAL 44 Ca 0.35 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 1ioi s VAL 44 Cb 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 36.38 35.67 1ioi s VAL 44 CO 0.05 -0.12 1.22 0.49 0.00 0.00 0.00 175.10 176.75 1ioi n PHE 45 N 5.34 2.02 0.00 5.22 3.01 -1.26 -0.70 117.46 131.08 1ioi n PHE 45 Ca -0.05 0.56 0.00 0.00 1.01 0.00 0.00 57.45 58.97 1ioi n PHE 45 Cb 0.50 -2.37 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 1ioi n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ioi n GLY 46 N 0.87 2.06 0.31 1.37 0.00 -1.26 -4.56 105.19 103.98 1ioi n GLY 46 Ca 0.06 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1ioi n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ioi h LYS 47 N 0.00 0.61 -0.76 1.61 3.64 -1.96 -0.80 116.57 118.91 1ioi h LYS 47 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ioi h LYS 47 Cb 0.00 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1ioi h LYS 47 CO 0.00 0.41 0.50 0.00 -2.27 0.00 0.00 179.45 178.09 1ioi h ALA 48 N 1.55 1.48 -0.33 5.00 0.00 -1.13 -1.49 119.26 124.34 1ioi h ALA 48 Ca 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1ioi h ALA 48 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ioi h ALA 48 CO -0.35 0.47 0.06 -0.22 0.00 0.00 0.00 179.25 179.21 1ioi h LYS 49 N 1.01 0.54 0.64 0.00 3.64 -1.42 0.94 116.57 121.92 1ioi h LYS 49 Ca 0.29 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1ioi h LYS 49 Cb -0.08 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1ioi h LYS 49 CO -0.07 0.62 -0.31 1.49 -2.27 0.00 0.00 179.45 178.92 1ioi h GLU 50 N 0.38 -0.83 -0.68 1.90 4.81 -1.29 0.12 114.58 118.99 1ioi h GLU 50 Ca 0.10 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.53 1ioi h GLU 50 Cb 0.33 0.19 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 1ioi h GLU 50 CO 0.00 -0.55 0.15 0.28 -0.73 0.00 0.00 179.01 178.17 1ioi h VAL 51 N -0.88 0.56 -0.09 0.32 2.07 -1.32 -1.83 116.25 115.09 1ioi h VAL 51 Ca -0.09 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1ioi h VAL 51 Cb 0.66 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ioi h VAL 51 CO 0.14 0.05 -0.41 0.25 0.02 0.00 0.00 177.57 177.63 1ioi h LEU 52 N 0.27 0.19 0.10 2.57 7.12 -0.58 -2.62 115.31 122.37 1ioi h LEU 52 Ca 0.37 -0.08 -0.29 0.00 0.13 0.00 0.00 57.88 58.01 1ioi h LEU 52 Cb 0.60 -0.05 0.02 0.00 -0.53 0.00 0.00 40.66 40.70 1ioi h LEU 52 CO -0.47 0.59 -1.25 -0.33 -0.13 0.00 0.00 178.44 176.85 1ioi h GLU 53 N 0.16 0.51 -0.25 1.25 5.08 -0.23 -2.27 114.58 118.83 1ioi h GLU 53 Ca 0.01 -0.73 0.06 0.00 -1.00 0.00 0.00 59.36 57.71 1ioi h GLU 53 Cb 0.79 0.25 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1ioi h GLU 53 CO 0.06 1.32 -0.20 0.87 -1.00 0.00 0.00 179.01 180.06 1ioi h LYS 54 N 0.21 -0.19 -0.40 2.33 1.57 -1.34 -1.23 116.57 117.52 1ioi h LYS 54 Ca -0.18 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1ioi h LYS 54 Cb 1.93 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 1ioi h LYS 54 CO 0.23 -0.13 0.25 1.15 -0.57 0.00 0.00 179.45 180.38 1ioi h THR 55 N -0.20 1.07 -0.27 -0.16 2.02 -1.47 0.32 112.91 114.22 1ioi h THR 55 Ca 0.14 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1ioi h THR 55 Cb 0.41 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1ioi h THR 55 CO -0.37 0.09 -0.16 -0.07 0.37 0.00 0.00 175.52 175.38 1ioi h LEU 56 N 0.51 0.46 0.02 2.58 3.38 -1.30 0.86 115.31 121.81 1ioi h LEU 56 Ca 0.16 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ioi h LEU 56 Cb -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ioi h LEU 56 CO -0.06 0.65 -0.01 -0.08 0.09 0.00 0.00 178.44 179.03 1ioi h GLU 57 N 0.43 -0.02 -0.11 1.13 4.57 -0.49 0.32 114.58 120.42 1ioi h GLU 57 Ca 0.08 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1ioi h GLU 57 Cb 0.54 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ioi h GLU 57 CO 0.03 0.31 -0.00 1.49 -1.18 0.00 0.00 179.01 179.66 1ioi h GLU 58 N -0.35 0.20 0.09 1.92 4.22 -0.89 -3.33 114.58 116.44 1ioi h GLU 58 Ca -0.00 -0.06 -0.32 0.00 0.08 0.00 0.00 59.36 59.06 1ioi h GLU 58 Cb 0.34 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ioi h GLU 58 CO 0.00 0.45 -1.68 0.82 -2.18 0.00 0.00 179.01 176.43 1ioi h ILE 59 N -0.08 0.95 -6.45 2.32 2.04 -0.93 -3.49 117.51 111.87 1ioi h ILE 59 Ca 0.03 -2.67 -0.49 0.00 1.00 0.00 0.00 64.86 62.74 1ioi h ILE 59 Cb 0.37 2.62 0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1ioi h ILE 59 CO 0.01 0.76 -0.93 0.29 0.00 0.00 0.00 178.15 178.28 1ioi n LYS 60 N -3.36 -1.88 -1.63 2.37 5.02 0.11 -4.93 118.16 113.86 1ioi n LYS 60 Ca -0.20 0.37 -0.32 0.00 -2.02 0.00 0.00 58.31 56.14 1ioi n LYS 60 Cb 1.04 -4.05 0.06 0.00 -0.02 0.00 0.00 35.03 32.07 1ioi n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ioi s PRO 61 N -6.43 2.67 0.07 1.97 0.04 -1.26 -4.92 135.00 127.14 1ioi s PRO 61 Ca 0.28 1.33 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1ioi s PRO 61 Cb -0.11 -1.94 -0.22 0.00 0.04 0.00 0.00 34.50 32.27 1ioi s PRO 61 CO 0.89 -1.35 1.10 -0.44 0.04 0.00 0.00 177.00 177.25 1ioi h ASP 62 N -0.27 0.04 -3.38 6.66 3.32 -1.51 -3.35 116.42 117.93 1ioi h ASP 62 Ca -0.46 -0.05 -0.45 0.00 0.02 0.00 0.00 57.03 56.09 1ioi h ASP 62 Cb 1.24 -0.01 -0.35 0.00 0.22 0.00 0.00 39.33 40.43 1ioi h ASP 62 CO 0.53 1.04 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.69 1ioi s ILE 63 N -2.68 0.67 -0.11 0.35 1.01 -1.18 -0.45 121.20 118.81 1ioi s ILE 63 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1ioi s ILE 63 Cb 0.09 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.87 1ioi s ILE 63 CO 0.83 0.27 -0.22 0.00 0.00 0.00 0.00 174.94 175.82 1ioi s ALA 64 N 1.15 2.26 -0.16 9.38 0.00 0.36 -1.76 121.76 132.99 1ioi s ALA 64 Ca -0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 1ioi s ALA 64 Cb -0.14 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.13 1ioi s ALA 64 CO -0.01 0.27 -0.06 0.42 0.00 0.00 0.00 175.76 176.38 1ioi s ILE 65 N 0.36 1.14 -0.15 0.00 -1.09 -0.27 -2.82 121.20 118.37 1ioi s ILE 65 Ca -0.17 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 57.58 1ioi s ILE 65 Cb -0.18 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 1ioi s ILE 65 CO 0.08 0.16 0.03 -1.00 -1.23 0.00 0.00 174.94 172.98 1ioi s HIS 66 N 1.62 3.19 -0.02 3.97 3.76 -0.07 -1.69 115.29 126.05 1ioi s HIS 66 Ca 0.01 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.99 1ioi s HIS 66 Cb -0.15 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1ioi s HIS 66 CO -0.08 0.20 -0.15 0.08 -0.85 0.00 0.00 174.74 173.95 1ioi s VAL 67 N 0.04 1.18 0.05 -0.90 1.01 -0.96 -0.48 120.40 120.33 1ioi s VAL 67 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1ioi s VAL 67 Cb -0.13 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1ioi s VAL 67 CO 0.01 0.34 0.16 -0.83 0.00 0.00 0.00 175.10 174.79 1ioi s GLY 68 N -0.20 0.09 -0.24 4.51 0.00 0.12 -4.14 107.32 107.46 1ioi s GLY 68 Ca 0.03 -0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 1ioi s GLY 68 CO 0.00 -0.58 1.28 -2.27 0.00 0.00 0.00 173.10 171.53 1ioi s LEU 69 N -2.21 4.02 -0.92 0.66 0.20 -1.26 -0.72 118.68 118.44 1ioi s LEU 69 Ca -0.03 1.43 -0.02 0.00 0.69 0.00 0.00 54.13 56.19 1ioi s LEU 69 Cb -0.00 -3.54 0.24 0.00 -0.43 0.00 0.00 46.19 42.46 1ioi s LEU 69 CO -0.05 -0.93 0.91 0.00 -0.29 0.00 0.00 176.35 176.00 1ioi n ALA 70 N 7.14 4.07 -1.69 5.97 0.00 -0.07 -4.89 120.51 131.04 1ioi n ALA 70 Ca 0.14 -4.66 -0.58 0.00 0.00 0.00 0.00 53.44 48.34 1ioi n ALA 70 Cb 0.46 -1.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 1ioi n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ioi n PRO 71 N 2.03 0.95 0.00 0.00 -0.02 -1.26 -1.99 135.00 134.70 1ioi n PRO 71 Ca 0.24 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ioi n PRO 71 Cb 0.37 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1ioi n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ioi n GLY 72 N 3.85 1.92 3.76 -1.23 0.00 -1.26 -5.01 105.19 107.22 1ioi n GLY 72 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1ioi n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ioi s ARG 73 N -0.79 4.54 0.00 1.61 3.00 -0.84 -4.63 118.95 121.84 1ioi s ARG 73 Ca 0.00 1.68 0.23 0.00 0.00 0.00 0.00 55.73 57.64 1ioi s ARG 73 Cb 0.00 -3.02 0.03 0.00 0.00 0.00 0.00 34.95 31.96 1ioi s ARG 73 CO 0.00 0.16 1.11 -1.13 0.00 0.00 0.00 175.30 175.44 1ioi n SER 74 N 0.89 1.77 -3.92 0.23 3.41 -1.26 -4.33 113.62 110.40 1ioi n SER 74 Ca 0.00 -1.37 -0.09 0.00 -0.26 0.00 0.00 58.87 57.15 1ioi n SER 74 Cb 0.46 0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 64.88 1ioi n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ioi s ALA 75 N -2.57 -0.24 -0.06 7.33 0.00 -1.26 -4.93 121.76 120.04 1ioi s ALA 75 Ca 0.17 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1ioi s ALA 75 Cb 0.18 0.92 -0.06 0.00 0.00 0.00 0.00 23.12 24.16 1ioi s ALA 75 CO 0.61 -0.73 1.78 0.42 0.00 0.00 0.00 175.76 177.85 1ioi s ILE 76 N -3.96 3.39 -0.25 0.00 -1.09 -0.91 -4.22 121.20 114.16 1ioi s ILE 76 Ca 0.17 0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 58.99 1ioi s ILE 76 Cb 0.01 -3.32 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 1ioi s ILE 76 CO 0.02 -0.07 0.03 -0.94 -1.23 0.00 0.00 174.94 172.75 1ioi s SER 77 N 4.10 4.84 -0.39 3.58 1.04 -0.04 -0.56 113.70 126.27 1ioi s SER 77 Ca 0.80 -0.39 -0.20 0.00 0.48 0.00 0.00 55.95 56.64 1ioi s SER 77 Cb -0.35 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 63.93 1ioi s SER 77 CO 0.34 -0.06 0.62 -0.63 0.98 0.00 0.00 173.24 174.48 1ioi s ILE 78 N 1.54 4.89 0.01 -1.02 -1.09 0.99 -0.60 121.20 125.92 1ioi s ILE 78 Ca 0.05 0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 58.54 1ioi s ILE 78 Cb -0.15 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1ioi s ILE 78 CO 0.01 -0.41 1.36 -1.61 -1.23 0.00 0.00 174.94 173.07 1ioi s GLU 79 N 2.70 4.30 -0.04 2.79 0.41 -0.68 -0.00 118.70 128.18 1ioi s GLU 79 Ca 0.23 1.93 -0.01 0.00 -0.41 0.00 0.00 54.97 56.71 1ioi s GLU 79 Cb -0.14 -3.53 -0.27 0.00 -1.78 0.00 0.00 34.13 28.41 1ioi s GLU 79 CO 0.16 -0.53 0.68 -0.09 -0.49 0.00 0.00 175.26 175.00 1ioi h ARG 80 N 7.63 0.21 -3.87 1.61 2.43 -1.26 -3.42 114.38 117.71 1ioi h ARG 80 Ca -0.38 -0.36 -0.40 0.00 -0.81 0.00 0.00 59.98 58.03 1ioi h ARG 80 Cb 1.18 0.13 -0.35 0.00 -0.42 0.00 0.00 29.97 30.52 1ioi h ARG 80 CO 0.89 1.03 -0.76 0.96 -1.51 0.00 0.00 179.97 180.58 1ioi s ILE 81 N -2.60 0.40 -0.09 1.20 -4.36 -1.26 -1.66 121.20 112.84 1ioi s ILE 81 Ca -0.12 -0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.15 1ioi s ILE 81 Cb 0.07 -0.47 -0.05 0.00 1.25 0.00 0.00 42.46 43.26 1ioi s ILE 81 CO 0.83 0.21 0.26 0.00 0.24 0.00 0.00 174.94 176.48 1ioi s ALA 82 N 1.18 3.75 0.08 2.27 0.00 0.61 -4.43 121.76 125.22 1ioi s ALA 82 Ca -0.07 -0.45 0.10 0.00 0.00 0.00 0.00 51.96 51.53 1ioi s ALA 82 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1ioi s ALA 82 CO -0.02 0.46 -0.26 0.14 0.00 0.00 0.00 175.76 176.08 1ioi s VAL 83 N -0.73 2.14 -1.00 0.00 -7.23 -1.26 -1.12 120.40 111.20 1ioi s VAL 83 Ca 0.18 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 1ioi s VAL 83 Cb -0.14 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.86 1ioi s VAL 83 CO 0.07 0.25 2.12 -3.20 -0.31 0.00 0.00 175.10 174.03 1ioi n ASN 84 N 1.47 4.04 -3.63 4.85 2.85 0.86 -4.84 115.26 120.86 1ioi n ASN 84 Ca -0.17 -2.58 -0.10 0.00 -0.11 0.00 0.00 54.58 51.62 1ioi n ASN 84 Cb 0.52 -1.23 -0.07 0.00 1.24 0.00 0.00 39.78 40.25 1ioi n ASN 84 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ioi s ALA 85 N 3.96 -1.95 -0.08 5.20 0.00 -1.26 -3.69 121.76 123.95 1ioi s ALA 85 Ca 0.51 1.84 0.02 0.00 0.00 0.00 0.00 51.96 54.33 1ioi s ALA 85 Cb 0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1ioi s ALA 85 CO 0.02 -0.25 -0.11 0.42 0.00 0.00 0.00 175.76 175.83 1ioi s ILE 86 N 0.05 3.29 -0.43 0.00 1.01 0.69 -4.75 121.20 121.06 1ioi s ILE 86 Ca 0.02 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1ioi s ILE 86 Cb -0.04 -2.33 0.17 0.00 0.01 0.00 0.00 42.46 40.27 1ioi s ILE 86 CO -0.05 0.57 0.50 -0.62 0.00 0.00 0.00 174.94 175.35 1ioi s ASP 87 N -0.46 0.13 -0.09 3.58 3.68 -0.67 -1.90 116.67 120.94 1ioi s ASP 87 Ca 0.06 -1.84 -0.30 0.00 2.13 0.00 0.00 52.55 52.60 1ioi s ASP 87 Cb -0.12 0.91 -0.02 0.00 -1.45 0.00 0.00 42.92 42.24 1ioi s ASP 87 CO 0.02 -0.17 1.03 0.00 0.13 0.00 0.00 175.17 176.18 1ioi s ALA 88 N 1.03 3.40 -0.03 3.66 0.00 0.53 -4.62 121.76 125.74 1ioi s ALA 88 Ca 0.24 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 1ioi s ALA 88 Cb -0.06 -3.44 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 1ioi s ALA 88 CO -0.07 -0.60 1.07 -0.09 0.00 0.00 0.00 175.76 176.07 1ioi h ARG 89 N 7.12 0.25 -6.20 0.00 1.12 -1.90 -3.40 114.38 111.37 1ioi h ARG 89 Ca -0.32 -0.25 -0.49 0.00 -1.11 0.00 0.00 59.98 57.81 1ioi h ARG 89 Cb 1.15 0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 31.14 1ioi h ARG 89 CO 0.85 0.95 -0.49 0.96 -3.11 0.00 0.00 179.97 179.14 1ioi s ILE 90 N -3.25 4.43 0.42 1.20 -0.00 -1.26 -5.06 121.20 117.68 1ioi s ILE 90 Ca -0.15 -1.30 -0.24 0.00 -0.00 0.00 0.00 60.65 58.96 1ioi s ILE 90 Cb 0.02 -3.46 -0.08 0.00 -0.00 0.00 0.00 42.46 38.94 1ioi s ILE 90 CO 0.76 -0.31 1.17 -2.16 -0.00 0.00 0.00 174.94 174.41 1ioi s PRO 91 N -3.91 3.95 1.25 0.37 0.04 -1.26 -4.69 135.00 130.75 1ioi s PRO 91 Ca 0.35 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 1ioi s PRO 91 Cb -0.08 -2.59 0.31 0.00 0.04 0.00 0.00 34.50 32.18 1ioi s PRO 91 CO 0.26 -0.40 1.01 0.16 0.04 0.00 0.00 177.00 178.07 1ioi s ASP 92 N -1.19 0.39 0.00 6.66 3.84 -0.21 -4.81 116.67 121.34 1ioi s ASP 92 Ca 0.59 1.15 0.00 0.00 -0.00 0.00 0.00 52.55 54.29 1ioi s ASP 92 Cb -0.30 -1.73 0.02 0.00 -1.38 0.00 0.00 42.92 39.52 1ioi s ASP 92 CO 0.38 -4.51 0.68 0.59 -0.00 0.00 0.00 175.17 172.31 1ioi n ASN 93 N -5.09 0.00 -0.19 2.11 5.03 0.24 -1.31 115.26 116.05 1ioi n ASN 93 Ca 0.07 0.16 0.08 0.00 0.87 0.00 0.00 54.58 55.76 1ioi n ASN 93 Cb 0.57 -0.17 -0.05 0.00 -1.02 0.00 0.00 39.78 39.11 1ioi n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ioi n GLU 94 N -1.17 1.57 0.00 3.52 1.02 -1.26 -4.98 120.64 119.35 1ioi n GLU 94 Ca 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1ioi n GLU 94 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1ioi n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ioi n GLY 95 N 1.30 0.72 3.51 0.62 0.00 -0.43 -5.08 105.19 105.83 1ioi n GLY 95 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1ioi n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ioi s LYS 96 N -0.55 3.28 -0.26 1.61 1.02 -1.25 -4.79 119.74 118.79 1ioi s LYS 96 Ca 0.00 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 1ioi s LYS 96 Cb 0.00 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 1ioi s LYS 96 CO 0.00 -1.12 0.35 0.21 -0.92 0.00 0.00 175.35 173.86 1ioi s LYS 97 N 3.01 4.03 -0.22 1.68 2.20 -1.26 -1.05 119.74 128.12 1ioi s LYS 97 Ca 0.23 0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.84 1ioi s LYS 97 Cb -0.14 -3.63 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1ioi s LYS 97 CO 0.18 -0.22 -0.09 0.42 -0.36 0.00 0.00 175.35 175.29 1ioi s ILE 98 N 1.89 2.81 -0.16 5.43 -1.09 -1.26 -4.94 121.20 123.87 1ioi s ILE 98 Ca 0.14 -0.87 -0.05 0.00 -2.23 0.00 0.00 60.65 57.64 1ioi s ILE 98 Cb -0.16 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 1ioi s ILE 98 CO 0.09 0.34 0.00 -1.61 -1.23 0.00 0.00 174.94 172.53 1ioi s GLU 99 N 1.36 3.77 -1.13 2.79 0.41 -1.26 -0.35 118.70 124.29 1ioi s GLU 99 Ca 0.03 -0.45 -0.24 0.00 -0.41 0.00 0.00 54.97 53.90 1ioi s GLU 99 Cb -0.15 -3.02 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 1ioi s GLU 99 CO -0.06 0.27 0.75 -0.25 -0.49 0.00 0.00 175.26 175.48 1ioi n ASP 100 N 3.49 -5.06 -4.54 -0.19 8.00 -0.81 -4.93 116.55 112.51 1ioi n ASP 100 Ca -0.17 -1.07 -0.31 0.00 0.71 0.00 0.00 54.79 53.94 1ioi n ASP 100 Cb 0.52 -2.86 -0.11 0.00 -0.02 0.00 0.00 41.12 38.65 1ioi n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ioi s GLU 101 N -6.27 2.32 0.53 -1.24 2.56 -0.80 -4.94 118.70 110.88 1ioi s GLU 101 Ca 0.45 -0.85 -0.18 0.00 0.00 0.00 0.00 54.97 54.39 1ioi s GLU 101 Cb -0.19 -2.36 -0.06 0.00 2.00 0.00 0.00 34.13 33.52 1ioi s GLU 101 CO 0.89 0.57 1.03 -1.25 -0.56 0.00 0.00 175.26 175.94 1ioi s PRO 102 N -1.48 3.65 -0.08 4.30 0.04 -1.26 -0.22 135.00 139.94 1ioi s PRO 102 Ca 0.16 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1ioi s PRO 102 Cb -0.11 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1ioi s PRO 102 CO 0.07 -0.54 -0.02 0.82 0.04 0.00 0.00 177.00 177.37 1ioi h ILE 103 N 0.98 0.00 -3.72 0.56 1.08 -1.88 -3.43 117.51 111.10 1ioi h ILE 103 Ca -0.48 -0.77 -0.68 0.00 -0.39 0.00 0.00 64.86 62.55 1ioi h ILE 103 Cb 1.21 0.00 -0.35 0.00 -3.07 0.00 0.00 36.82 34.61 1ioi h ILE 103 CO 0.59 0.00 -0.70 -0.69 -0.69 0.00 0.00 178.15 176.66 1ioi s VAL 104 N -1.51 2.74 -0.28 1.67 1.01 -1.26 -5.05 120.40 117.72 1ioi s VAL 104 Ca -0.02 -1.74 -0.37 0.00 0.00 0.00 0.00 61.98 59.85 1ioi s VAL 104 Cb 0.00 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.53 1ioi s VAL 104 CO 0.03 -0.29 1.95 -2.65 0.00 0.00 0.00 175.10 174.14 1ioi n PRO 105 N 4.51 1.29 0.00 2.72 -0.02 -1.26 -0.88 135.00 141.35 1ioi n PRO 105 Ca -0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1ioi n PRO 105 Cb 0.42 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1ioi n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ioi n GLY 106 N 5.23 3.12 3.85 -1.23 0.00 -1.26 -5.03 105.19 109.87 1ioi n GLY 106 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 1ioi n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioi s ALA 107 N -2.22 2.81 0.49 4.61 0.00 -0.06 -4.99 121.76 122.40 1ioi s ALA 107 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1ioi s ALA 107 Cb 0.00 -3.09 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 1ioi s ALA 107 CO 0.00 -1.10 0.46 -2.30 0.00 0.00 0.00 175.76 172.81 1ioi n PRO 108 N -3.02 0.49 -0.13 0.00 -0.02 -1.26 -4.92 135.00 126.13 1ioi n PRO 108 Ca 0.07 0.18 -0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1ioi n PRO 108 Cb 0.55 -1.52 0.04 0.00 -0.02 0.00 0.00 33.50 32.55 1ioi n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ioi h THR 109 N 0.50 0.87 -3.59 3.45 2.02 -1.95 -3.39 112.91 110.82 1ioi h THR 109 Ca -0.42 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1ioi h THR 109 Cb 1.40 0.52 -0.15 0.00 -1.74 0.00 0.00 68.15 68.19 1ioi h THR 109 CO 0.49 0.06 -0.30 0.00 0.37 0.00 0.00 175.52 176.14 1ioi s ALA 110 N -6.15 -0.47 -0.07 6.16 0.00 -1.26 -0.10 121.76 119.88 1ioi s ALA 110 Ca -0.13 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1ioi s ALA 110 Cb 0.13 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1ioi s ALA 110 CO 0.72 -0.49 -0.12 0.71 0.00 0.00 0.00 175.76 176.58 1ioi s TYR 111 N -3.37 1.44 0.37 0.00 1.51 -0.28 -5.02 117.35 111.98 1ioi s TYR 111 Ca 0.01 -0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 55.29 1ioi s TYR 111 Cb 0.02 -1.06 -0.09 0.00 -0.11 0.00 0.00 41.96 40.72 1ioi s TYR 111 CO -0.08 -0.28 1.03 -0.06 -1.11 0.00 0.00 175.55 175.05 1ioi s PHE 112 N 0.69 3.40 0.30 2.71 2.99 -1.26 -0.28 117.98 126.53 1ioi s PHE 112 Ca -0.14 1.68 -0.29 0.00 0.00 0.00 0.00 56.93 58.18 1ioi s PHE 112 Cb -0.16 -3.10 -0.10 0.00 0.00 0.00 0.00 43.02 39.66 1ioi s PHE 112 CO 0.03 -0.43 1.29 0.45 -0.00 0.00 0.00 175.22 176.57 1ioi s SER 113 N -1.48 6.84 0.00 1.36 0.15 -0.66 -4.92 113.70 114.98 1ioi s SER 113 Ca 0.54 2.60 0.25 0.00 0.70 0.00 0.00 55.95 60.04 1ioi s SER 113 Cb -0.23 -2.64 0.47 0.00 -1.71 0.00 0.00 66.02 61.91 1ioi s SER 113 CO 0.28 -0.50 1.38 0.35 1.20 0.00 0.00 173.24 175.96 1ioi n THR 114 N 1.20 0.00 -2.02 6.45 -2.24 -0.30 -4.94 114.28 112.43 1ioi n THR 114 Ca 0.01 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 1ioi n THR 114 Cb 0.42 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1ioi n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ioi s LEU 115 N -2.86 4.05 -0.83 3.22 1.43 -0.86 -4.60 118.68 118.23 1ioi s LEU 115 Ca 0.14 2.60 -0.22 0.00 -1.03 0.00 0.00 54.13 55.61 1ioi s LEU 115 Cb 0.18 -4.10 -0.15 0.00 0.03 0.00 0.00 46.19 42.14 1ioi s LEU 115 CO 0.67 -1.08 1.92 -0.81 0.23 0.00 0.00 176.35 177.27 1ioi n PRO 116 N -0.38 1.48 0.05 1.29 -0.04 -1.26 -4.81 135.00 131.32 1ioi n PRO 116 Ca 0.07 -1.95 0.03 0.00 -0.04 0.00 0.00 63.50 61.60 1ioi n PRO 116 Cb 0.45 -3.07 0.40 0.00 -0.04 0.00 0.00 33.50 31.24 1ioi n PRO 116 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1ioi h ILE 117 N 4.85 1.13 -0.01 0.52 -2.65 -1.93 -0.91 117.51 118.52 1ioi h ILE 117 Ca 0.38 -0.45 -0.18 0.00 1.03 0.00 0.00 64.86 65.63 1ioi h ILE 117 Cb 0.73 0.82 -0.01 0.00 -2.05 0.00 0.00 36.82 36.30 1ioi h ILE 117 CO 1.81 0.17 -0.82 0.11 0.03 0.00 0.00 178.15 179.45 1ioi h LYS 118 N 0.42 0.15 -0.04 0.16 1.79 -1.98 -1.44 116.57 115.63 1ioi h LYS 118 Ca 0.10 -0.15 -0.17 0.00 -2.18 0.00 0.00 60.65 58.25 1ioi h LYS 118 Cb 0.14 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1ioi h LYS 118 CO -0.01 0.89 -0.63 0.87 -1.08 0.00 0.00 179.45 179.49 1ioi h LYS 119 N 0.09 0.49 -0.08 3.15 6.56 -1.79 0.42 116.57 125.42 1ioi h LYS 119 Ca -0.03 -0.48 0.02 0.00 -1.06 0.00 0.00 60.65 59.10 1ioi h LYS 119 Cb 1.43 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 33.19 1ioi h LYS 119 CO 0.12 1.12 -0.06 0.82 -2.06 0.00 0.00 179.45 179.39 1ioi h ILE 120 N 0.05 0.81 -0.83 1.86 2.04 -1.22 -0.98 117.51 119.23 1ioi h ILE 120 Ca -0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1ioi h ILE 120 Cb 1.31 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1ioi h ILE 120 CO 0.13 0.00 0.39 -0.03 0.00 0.00 0.00 178.15 178.63 1ioi h MET 121 N -0.08 1.20 -0.18 2.37 4.05 -1.14 -0.84 114.93 120.32 1ioi h MET 121 Ca 0.05 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 59.19 1ioi h MET 121 Cb 0.16 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1ioi h MET 121 CO -0.12 0.93 -0.32 -0.22 0.23 0.00 0.00 176.91 177.41 1ioi h LYS 122 N 1.19 0.37 -0.09 0.39 3.64 -0.42 -2.02 116.57 119.63 1ioi h LYS 122 Ca 0.28 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1ioi h LYS 122 Cb 0.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ioi h LYS 122 CO -0.03 0.65 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.25 1ioi h LYS 123 N 0.32 0.38 -0.70 1.90 1.63 -0.73 -1.80 116.57 117.57 1ioi h LYS 123 Ca 0.04 -0.29 0.11 0.00 -0.85 0.00 0.00 60.65 59.66 1ioi h LYS 123 Cb 0.72 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.33 1ioi h LYS 123 CO 0.06 0.92 0.31 -0.07 -3.45 0.00 0.00 179.45 177.21 1ioi h LEU 124 N -0.08 0.36 -0.66 5.20 3.38 -1.05 -1.52 115.31 120.93 1ioi h LEU 124 Ca -0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ioi h LEU 124 Cb 0.96 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1ioi h LEU 124 CO 0.07 0.19 0.34 0.45 0.09 0.00 0.00 178.44 179.57 1ioi h HIS 125 N 0.51 0.93 0.00 1.13 3.86 -1.20 0.41 115.15 120.79 1ioi h HIS 125 Ca 0.36 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1ioi h HIS 125 Cb 0.45 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1ioi h HIS 125 CO -0.14 0.68 0.00 -0.85 0.86 0.00 0.00 177.93 178.48 1ioi n GLU 126 N -4.50 0.06 0.00 2.45 0.28 -0.69 -0.95 120.64 117.29 1ioi n GLU 126 Ca 0.05 0.02 0.15 0.00 -0.16 0.00 0.00 57.16 57.22 1ioi n GLU 126 Cb 0.11 -1.50 0.73 0.00 1.43 0.00 0.00 31.44 32.21 1ioi n GLU 126 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ioi n ARG 127 N -1.47 1.03 -1.71 3.44 3.00 -0.62 -4.94 116.66 115.40 1ioi n ARG 127 Ca 0.08 -0.30 -0.13 0.00 -0.00 0.00 0.00 57.85 57.50 1ioi n ARG 127 Cb 0.31 -1.49 -0.04 0.00 0.00 0.00 0.00 32.46 31.24 1ioi n ARG 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ioi n GLY 128 N 1.14 0.79 3.54 5.14 0.00 -0.13 -5.02 105.19 110.66 1ioi n GLY 128 Ca 0.19 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1ioi n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ioi s ILE 129 N -2.54 5.20 0.17 -0.61 1.01 0.08 -4.98 121.20 119.53 1ioi s ILE 129 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 1ioi s ILE 129 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 1ioi s ILE 129 CO 0.00 -0.06 1.49 -2.16 0.00 0.00 0.00 174.94 174.21 1ioi s PRO 130 N 1.94 4.26 -0.08 2.79 0.04 -1.26 -3.28 135.00 139.40 1ioi s PRO 130 Ca 0.10 2.27 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 1ioi s PRO 130 Cb -0.17 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1ioi s PRO 130 CO 0.11 -0.51 0.50 0.00 0.04 0.00 0.00 177.00 177.14 1ioi s ALA 131 N 0.83 -1.29 0.21 8.56 0.00 -1.26 -2.13 121.76 126.68 1ioi s ALA 131 Ca 0.66 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1ioi s ALA 131 Cb -0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1ioi s ALA 131 CO 0.34 -0.30 0.40 1.52 0.00 0.00 0.00 175.76 177.72 1ioi s TYR 132 N -0.84 0.35 -0.39 0.00 -0.85 0.28 -4.96 117.35 110.94 1ioi s TYR 132 Ca -0.09 -0.70 -0.25 0.00 -0.52 0.00 0.00 57.07 55.51 1ioi s TYR 132 Cb -0.03 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.42 1ioi s TYR 132 CO 0.05 -0.87 0.90 0.42 -1.52 0.00 0.00 175.55 174.53 1ioi s ILE 133 N -3.99 4.58 0.13 -3.49 1.09 -1.26 -0.01 121.20 118.25 1ioi s ILE 133 Ca 0.20 1.01 -0.21 0.00 -1.10 0.00 0.00 60.65 60.55 1ioi s ILE 133 Cb 0.01 -4.34 -0.07 0.00 -1.06 0.00 0.00 42.46 37.00 1ioi s ILE 133 CO 0.05 -0.60 0.66 -0.55 -0.10 0.00 0.00 174.94 174.40 1ioi s SER 134 N 1.98 7.17 0.00 3.58 0.15 0.99 -4.87 113.70 122.70 1ioi s SER 134 Ca 0.36 1.41 0.19 0.00 0.70 0.00 0.00 55.95 58.61 1ioi s SER 134 Cb -0.12 -2.41 0.34 0.00 -1.71 0.00 0.00 66.02 62.12 1ioi s SER 134 CO 0.20 0.22 1.28 0.59 1.20 0.00 0.00 173.24 176.73 1ioi n ASN 135 N 1.52 3.11 -3.76 5.45 5.03 -1.26 -0.75 115.26 124.60 1ioi n ASN 135 Ca -0.08 -1.90 -0.13 0.00 0.87 0.00 0.00 54.58 53.35 1ioi n ASN 135 Cb 0.50 -0.20 -0.12 0.00 -1.02 0.00 0.00 39.78 38.94 1ioi n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1ioi s SER 136 N -1.32 -0.24 -0.15 6.41 0.15 -1.26 -4.70 113.70 112.59 1ioi s SER 136 Ca 0.31 0.48 0.16 0.00 0.70 0.00 0.00 55.95 57.60 1ioi s SER 136 Cb 0.19 0.43 0.59 0.00 -1.71 0.00 0.00 66.02 65.51 1ioi s SER 136 CO 0.26 -0.12 1.50 0.00 1.20 0.00 0.00 173.24 176.08 1ioi n ALA 137 N 3.55 3.07 -0.41 5.45 0.00 -1.26 -5.04 120.51 125.87 1ioi n ALA 137 Ca -0.19 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.32 1ioi n ALA 137 Cb 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1ioi n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ioi n GLY 138 N 0.17 -0.68 2.25 0.00 0.00 -1.26 -3.46 105.19 102.20 1ioi n GLY 138 Ca 0.22 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 45.11 1ioi n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ioi n LEU 139 N 0.00 0.90 0.00 0.99 4.77 -1.26 -4.62 117.00 117.78 1ioi n LEU 139 Ca 0.00 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1ioi n LEU 139 Cb 0.00 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1ioi n LEU 139 CO 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 1ioi n TYR 140 N -0.28 0.00 0.11 -1.77 9.36 -1.26 -1.67 117.16 121.64 1ioi n TYR 140 Ca 0.02 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.39 1ioi n TYR 140 Cb 0.92 0.00 0.68 0.00 -0.63 0.00 0.00 39.34 40.31 1ioi n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ioi h LEU 141 N 0.00 0.00 -0.02 2.98 3.38 -1.97 -1.76 115.31 117.93 1ioi h LEU 141 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ioi h LEU 141 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ioi h LEU 141 CO 0.00 0.00 -0.00 0.28 0.09 0.00 0.00 178.44 178.81 1ioi h SER 142 N 0.00 0.04 -0.47 -0.43 0.02 -1.96 -1.85 113.55 108.90 1ioi h SER 142 Ca 0.15 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1ioi h SER 142 Cb 0.61 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1ioi h SER 142 CO -0.00 0.38 0.06 -1.13 -1.14 0.00 0.00 176.83 175.00 1ioi h ASN 143 N -0.31 0.81 0.12 3.07 -1.24 -1.55 0.94 115.58 117.42 1ioi h ASN 143 Ca 0.00 -0.18 0.01 0.00 0.71 0.00 0.00 56.30 56.85 1ioi h ASN 143 Cb 0.36 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1ioi h ASN 143 CO 0.00 0.84 -0.16 0.22 -1.29 0.00 0.00 177.43 177.03 1ioi h TYR 144 N 0.81 -0.42 0.01 0.67 3.20 -1.28 0.18 116.97 120.13 1ioi h TYR 144 Ca 0.17 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 1ioi h TYR 144 Cb 0.39 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1ioi h TYR 144 CO 0.02 -0.24 -0.88 -0.39 -1.64 0.00 0.00 178.16 175.03 1ioi h VAL 145 N -0.33 1.57 -0.16 1.81 -1.51 -1.29 -1.14 116.25 115.20 1ioi h VAL 145 Ca 0.02 -2.84 -0.03 0.00 -1.23 0.00 0.00 66.70 62.62 1ioi h VAL 145 Cb 0.34 2.56 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 1ioi h VAL 145 CO -0.08 0.82 -0.05 -0.03 -1.23 0.00 0.00 177.57 177.00 1ioi h MET 146 N 0.04 0.24 0.02 5.19 1.85 -0.74 -2.70 114.93 118.82 1ioi h MET 146 Ca -0.03 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 58.94 1ioi h MET 146 Cb 1.53 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.51 1ioi h MET 146 CO 0.12 0.31 -0.45 -0.92 -0.40 0.00 0.00 176.91 175.58 1ioi h TYR 147 N 0.23 0.06 -0.81 1.39 3.20 -0.39 -3.07 116.97 117.59 1ioi h TYR 147 Ca 0.05 -0.04 0.18 0.00 3.14 0.00 0.00 58.73 62.06 1ioi h TYR 147 Cb 0.25 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1ioi h TYR 147 CO 0.00 1.17 0.54 -0.07 -1.64 0.00 0.00 178.16 178.17 1ioi h LEU 148 N -0.92 0.34 0.12 2.82 3.38 -1.18 0.29 115.31 120.16 1ioi h LEU 148 Ca -0.11 0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 1ioi h LEU 148 Cb 1.16 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.90 1ioi h LEU 148 CO -0.04 0.16 -1.20 -1.28 0.09 0.00 0.00 178.44 176.17 1ioi h SER 149 N 0.35 0.85 0.56 -0.43 0.87 -1.64 -1.13 113.55 112.97 1ioi h SER 149 Ca 0.40 -0.83 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 1ioi h SER 149 Cb 1.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1ioi h SER 149 CO -0.12 1.59 -0.33 -0.07 -0.53 0.00 0.00 176.83 177.37 1ioi h LEU 150 N 0.22 0.00 -0.08 2.23 3.38 -1.24 -1.75 115.31 118.07 1ioi h LEU 150 Ca -0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1ioi h LEU 150 Cb 1.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1ioi h LEU 150 CO 0.23 0.33 -0.12 -0.74 0.09 0.00 0.00 178.44 178.23 1ioi h HIS 151 N 0.00 0.28 -0.83 1.13 2.76 -1.00 -1.85 115.15 115.64 1ioi h HIS 151 Ca -0.00 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 1ioi h HIS 151 Cb 0.70 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 1ioi h HIS 151 CO 0.00 0.71 0.41 1.25 -1.30 0.00 0.00 177.93 178.99 1ioi h HIS 152 N -0.22 1.18 -0.48 5.26 -0.00 -1.15 -0.57 115.15 119.18 1ioi h HIS 152 Ca 0.01 -0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.38 1ioi h HIS 152 Cb 0.67 -0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 27.67 1ioi h HIS 152 CO 0.10 0.85 0.21 1.03 -0.00 0.00 0.00 177.93 180.12 1ioi h SER 153 N 1.17 0.26 -0.14 3.26 0.87 -1.25 0.13 113.55 117.85 1ioi h SER 153 Ca 0.29 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1ioi h SER 153 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1ioi h SER 153 CO -0.04 0.18 -0.20 0.00 -0.53 0.00 0.00 176.83 176.24 1ioi h ALA 154 N 1.29 1.08 0.08 6.23 0.00 -0.79 -1.76 119.26 125.40 1ioi h ALA 154 Ca 0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1ioi h ALA 154 Cb 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ioi h ALA 154 CO -0.20 0.56 -0.58 1.15 0.00 0.00 0.00 179.25 180.19 1ioi h THR 155 N 0.50 1.56 -0.01 0.00 2.02 -0.93 -3.41 112.91 112.64 1ioi h THR 155 Ca 0.08 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1ioi h THR 155 Cb 0.63 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 1ioi h THR 155 CO 0.04 0.66 -0.05 0.29 0.37 0.00 0.00 175.52 176.84 1ioi n LYS 156 N -4.30 0.89 0.00 6.66 5.02 0.44 -5.01 118.16 121.86 1ioi n LYS 156 Ca -0.14 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 1ioi n LYS 156 Cb 0.70 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1ioi n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ioi n GLY 157 N 0.68 3.04 3.09 0.72 0.00 -0.66 -5.00 105.19 107.07 1ioi n GLY 157 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1ioi n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ioi s TYR 158 N -1.53 0.75 1.04 1.61 -0.85 -1.25 -4.36 117.35 112.76 1ioi s TYR 158 Ca 0.00 -0.60 -0.13 0.00 -0.52 0.00 0.00 57.07 55.82 1ioi s TYR 158 Cb 0.00 -0.44 0.16 0.00 0.38 0.00 0.00 41.96 42.06 1ioi s TYR 158 CO 0.00 -0.09 0.75 -0.35 -1.52 0.00 0.00 175.55 174.34 1ioi n PRO 159 N 1.09 -1.25 0.04 -3.49 -0.04 -1.26 -3.11 135.00 126.98 1ioi n PRO 159 Ca -0.20 -0.32 -0.16 0.00 -0.04 0.00 0.00 63.50 62.77 1ioi n PRO 159 Cb 0.56 -2.09 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 1ioi n PRO 159 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ioi h LYS 160 N -2.11 0.21 -5.56 0.54 6.56 -0.93 -3.42 116.57 111.86 1ioi h LYS 160 Ca -0.51 -0.36 -0.61 0.00 -1.06 0.00 0.00 60.65 58.12 1ioi h LYS 160 Cb 1.31 0.13 -0.31 0.00 -0.57 0.00 0.00 32.23 32.79 1ioi h LYS 160 CO 0.42 1.03 -0.85 -1.64 -2.06 0.00 0.00 179.45 176.34 1ioi s MET 161 N -2.60 2.03 -0.03 3.15 -1.94 -0.92 -4.95 119.30 114.03 1ioi s MET 161 Ca -0.11 -0.71 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 1ioi s MET 161 Cb 0.07 -1.76 0.01 0.00 2.01 0.00 0.00 34.83 35.17 1ioi s MET 161 CO 0.83 0.30 0.21 0.45 -0.01 0.00 0.00 175.02 176.80 1ioi s SER 162 N -0.05 -0.12 0.00 3.03 0.15 -1.25 -0.49 113.70 114.98 1ioi s SER 162 Ca -0.03 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ioi s SER 162 Cb -0.12 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1ioi s SER 162 CO 0.03 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1ioi n GLY 163 N 1.87 -0.66 3.17 9.45 0.00 -1.13 -1.15 105.19 116.75 1ioi n GLY 163 Ca -0.19 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 1ioi n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ioi s PHE 164 N -2.00 1.83 -0.15 1.61 2.19 -1.26 -0.89 117.98 119.32 1ioi s PHE 164 Ca 0.00 -0.48 0.02 0.00 0.33 0.00 0.00 56.93 56.80 1ioi s PHE 164 Cb 0.00 -1.21 0.01 0.00 -1.31 0.00 0.00 43.02 40.51 1ioi s PHE 164 CO 0.00 -0.13 -0.21 0.42 1.83 0.00 0.00 175.22 177.12 1ioi s ILE 165 N -0.14 2.03 -0.23 3.12 1.01 0.37 -1.68 121.20 125.68 1ioi s ILE 165 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1ioi s ILE 165 Cb -0.11 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1ioi s ILE 165 CO 0.02 0.54 0.14 -1.00 0.00 0.00 0.00 174.94 174.64 1ioi s HIS 166 N 0.92 3.30 0.01 3.97 3.76 0.23 -0.70 115.29 126.77 1ioi s HIS 166 Ca -0.05 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 1ioi s HIS 166 Cb -0.15 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1ioi s HIS 166 CO -0.04 0.06 0.01 0.14 -0.85 0.00 0.00 174.74 174.06 1ioi s VAL 167 N 0.97 4.18 1.40 -0.90 -7.23 0.10 -0.86 120.40 118.06 1ioi s VAL 167 Ca 0.07 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.38 1ioi s VAL 167 Cb -0.13 -2.89 0.36 0.00 0.56 0.00 0.00 36.38 34.28 1ioi s VAL 167 CO 0.04 0.34 0.94 -2.84 -0.31 0.00 0.00 175.10 173.26 1ioi s PRO 168 N -1.68 -2.75 0.57 4.82 0.02 -1.26 -0.89 135.00 133.83 1ioi s PRO 168 Ca 0.21 0.23 -0.20 0.00 0.02 0.00 0.00 61.00 61.26 1ioi s PRO 168 Cb -0.12 -1.39 -0.04 0.00 0.02 0.00 0.00 34.50 32.97 1ioi s PRO 168 CO 0.12 -4.78 1.22 0.71 -0.33 0.00 0.00 177.00 173.94 1ioi s TYR 169 N -2.28 2.45 0.22 6.54 2.02 -1.20 -4.71 117.35 120.39 1ioi s TYR 169 Ca 0.69 1.50 -0.10 0.00 -0.37 0.00 0.00 57.07 58.78 1ioi s TYR 169 Cb -0.15 -3.51 -0.07 0.00 -0.40 0.00 0.00 41.96 37.83 1ioi s TYR 169 CO 0.59 -2.21 0.55 0.96 -1.57 0.00 0.00 175.55 173.87 1ioi s ILE 170 N -1.54 4.92 0.31 2.71 -4.36 -1.25 -0.41 121.20 121.57 1ioi s ILE 170 Ca 0.75 0.52 0.07 0.00 -0.26 0.00 0.00 60.65 61.73 1ioi s ILE 170 Cb -0.32 -3.63 0.32 0.00 1.25 0.00 0.00 42.46 40.09 1ioi s ILE 170 CO 0.35 -0.04 1.65 -0.65 0.24 0.00 0.00 174.94 176.49 1ioi h PRO 171 N 2.64 0.25 0.00 0.37 0.11 -1.93 0.13 132.00 133.57 1ioi h PRO 171 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ioi h PRO 171 Cb 1.17 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ioi h PRO 171 CO 0.69 0.16 -0.02 1.05 -0.21 0.00 0.00 178.00 179.67 1ioi h GLU 172 N 0.26 0.00 0.00 1.05 9.09 -1.95 -0.90 114.58 122.13 1ioi h GLU 172 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 1ioi h GLU 172 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1ioi h GLU 172 CO -0.64 0.02 -0.71 1.96 0.05 0.00 0.00 179.01 179.69 1ioi h GLN 173 N 0.00 0.00 -0.03 1.06 4.20 -1.13 -3.35 115.11 115.86 1ioi h GLN 173 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 1ioi h GLN 173 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ioi h GLN 173 CO 0.00 0.00 -0.76 0.82 -0.67 0.00 0.00 178.83 178.22 1ioi h ILE 174 N 0.00 1.45 0.00 2.54 1.08 -1.16 -3.32 117.51 118.10 1ioi h ILE 174 Ca 0.00 -2.36 -0.00 0.00 -0.39 0.00 0.00 64.86 62.11 1ioi h ILE 174 Cb 0.97 2.27 -0.00 0.00 -3.07 0.00 0.00 36.82 37.00 1ioi h ILE 174 CO 0.00 0.69 -0.01 0.16 -0.69 0.00 0.00 178.15 178.30 1ioi h ILE 175 N 0.13 0.05 -0.00 -0.67 -0.00 -1.68 -0.58 117.51 114.77 1ioi h ILE 175 Ca -0.03 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.52 1ioi h ILE 175 Cb 1.34 1.29 0.00 0.00 -0.00 0.00 0.00 36.82 39.45 1ioi h ILE 175 CO 0.12 0.01 -0.50 -0.90 -0.00 0.00 0.00 178.15 176.87 1ioi n ASP 176 N -3.13 0.71 0.01 2.16 5.68 -1.25 -3.79 116.55 116.94 1ioi n ASP 176 Ca -0.01 -0.51 -0.16 0.00 -0.50 0.00 0.00 54.79 53.61 1ioi n ASP 176 Cb 0.21 0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.44 1ioi n ASP 176 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ioi h LYS 177 N 0.33 0.67 -0.97 0.11 1.79 -1.28 -3.08 116.57 114.14 1ioi h LYS 177 Ca 0.00 -0.60 0.29 0.00 -2.18 0.00 0.00 60.65 58.15 1ioi h LYS 177 Cb 0.51 0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 31.16 1ioi h LYS 177 CO 0.00 1.21 0.50 0.82 -1.08 0.00 0.00 179.45 180.90 1ioi h ILE 178 N 0.43 0.35 -0.54 1.86 2.04 -0.12 0.15 117.51 121.68 1ioi h ILE 178 Ca -0.07 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.74 1ioi h ILE 178 Cb 1.48 -0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1ioi h ILE 178 CO 0.17 0.06 0.21 1.23 0.00 0.00 0.00 178.15 179.82 1ioi h GLY 179 N 0.35 0.73 -3.96 5.37 0.00 -1.66 -2.20 103.07 101.70 1ioi h GLY 179 Ca 0.68 -0.12 -0.64 0.00 0.00 0.00 0.00 47.33 47.25 1ioi h GLY 179 CO -0.59 0.02 0.83 0.58 0.00 0.00 0.00 176.54 177.38 1ioi n LYS 180 N -4.98 2.59 -1.69 4.80 2.85 0.18 -4.88 118.16 117.03 1ioi n LYS 180 Ca 0.06 -3.09 -0.12 0.00 -1.05 0.00 0.00 58.31 54.11 1ioi n LYS 180 Cb 0.21 -2.21 -0.03 0.00 -0.65 0.00 0.00 35.03 32.34 1ioi n LYS 180 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ioi n GLY 181 N -0.76 0.75 3.00 2.58 0.00 -0.83 -5.02 105.19 104.90 1ioi n GLY 181 Ca 0.59 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ioi n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ioi s GLN 182 N -3.62 0.97 -0.44 1.61 -0.44 0.27 -4.94 119.66 113.07 1ioi s GLN 182 Ca 0.00 -0.31 0.02 0.00 -2.50 0.00 0.00 55.36 52.58 1ioi s GLN 182 Cb 0.00 -0.91 0.13 0.00 -1.64 0.00 0.00 33.01 30.60 1ioi s GLN 182 CO 0.00 0.11 0.23 0.54 0.50 0.00 0.00 175.29 176.67 1ioi s VAL 183 N 0.20 1.65 0.70 1.34 0.11 -1.26 0.03 120.40 123.16 1ioi s VAL 183 Ca -0.03 -2.63 -0.14 0.00 -2.93 0.00 0.00 61.98 56.24 1ioi s VAL 183 Cb -0.09 -2.16 0.02 0.00 -1.53 0.00 0.00 36.38 32.63 1ioi s VAL 183 CO 0.00 -0.85 1.13 -2.84 -3.33 0.00 0.00 175.10 169.22 1ioi s PRO 184 N 0.32 2.51 0.37 1.54 0.02 -1.26 -5.02 135.00 133.48 1ioi s PRO 184 Ca 0.17 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.36 1ioi s PRO 184 Cb -0.24 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.26 1ioi s PRO 184 CO -0.01 -1.48 1.45 -2.14 -0.33 0.00 0.00 177.00 174.48 1ioi s PRO 185 N -4.16 4.14 0.17 5.54 0.02 -1.26 -4.96 135.00 134.49 1ioi s PRO 185 Ca 0.68 2.50 0.07 0.00 0.02 0.00 0.00 61.00 64.26 1ioi s PRO 185 Cb -0.22 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1ioi s PRO 185 CO 0.44 -0.48 -0.14 -1.54 -0.33 0.00 0.00 177.00 174.96 1ioi s SER 186 N -0.23 2.28 -0.06 2.53 1.04 -1.26 -3.22 113.70 114.79 1ioi s SER 186 Ca 0.52 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1ioi s SER 186 Cb -0.45 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.60 1ioi s SER 186 CO 0.61 -0.19 0.15 -0.32 0.98 0.00 0.00 173.24 174.46 1ioi s MET 187 N -3.40 0.13 0.38 4.02 1.75 0.45 -4.91 119.30 117.72 1ioi s MET 187 Ca 0.18 0.28 -0.27 0.00 -1.25 0.00 0.00 55.69 54.63 1ioi s MET 187 Cb -0.01 -0.04 -0.10 0.00 2.84 0.00 0.00 34.83 37.53 1ioi s MET 187 CO 0.05 -0.09 1.34 -1.54 -0.65 0.00 0.00 175.02 174.13 1ioi s SER 188 N 0.58 6.44 0.27 1.11 1.04 -1.26 -3.93 113.70 117.94 1ioi s SER 188 Ca -0.04 2.74 -0.01 0.00 0.48 0.00 0.00 55.95 59.12 1ioi s SER 188 Cb -0.06 -2.65 0.61 0.00 0.10 0.00 0.00 66.02 64.02 1ioi s SER 188 CO -0.03 -0.77 1.66 0.22 0.98 0.00 0.00 173.24 175.30 1ioi h TYR 189 N 2.93 0.28 -0.52 5.02 3.20 -1.98 0.08 116.97 125.98 1ioi h TYR 189 Ca -0.50 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 1ioi h TYR 189 Cb 1.24 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 1ioi h TYR 189 CO 0.54 -0.17 0.24 0.93 -1.64 0.00 0.00 178.16 178.06 1ioi h GLU 190 N 0.22 0.73 -0.06 1.82 3.07 -1.99 -0.67 114.58 117.71 1ioi h GLU 190 Ca 0.50 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 59.10 1ioi h GLU 190 Cb 0.95 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1ioi h GLU 190 CO -0.62 0.58 -0.70 1.98 -1.40 0.00 0.00 179.01 178.86 1ioi h MET 191 N 0.73 0.27 0.19 2.33 4.05 -1.35 -2.48 114.93 118.67 1ioi h MET 191 Ca 0.18 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1ioi h MET 191 Cb 0.09 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1ioi h MET 191 CO -0.02 0.86 -0.09 0.93 0.23 0.00 0.00 176.91 178.82 1ioi h GLU 192 N 0.19 -0.24 -0.67 0.39 5.08 -1.17 -0.43 114.58 117.73 1ioi h GLU 192 Ca -0.02 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1ioi h GLU 192 Cb 1.25 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 1ioi h GLU 192 CO 0.11 0.16 0.18 1.25 -1.00 0.00 0.00 179.01 179.71 1ioi h LEU 193 N -0.86 0.06 -0.99 1.33 5.85 -1.22 -1.58 115.31 117.91 1ioi h LEU 193 Ca -0.03 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1ioi h LEU 193 Cb 0.52 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1ioi h LEU 193 CO 0.04 0.02 0.19 -0.08 -0.34 0.00 0.00 178.44 178.26 1ioi h GLU 194 N 0.30 0.92 -0.40 1.25 4.57 -1.43 -1.72 114.58 118.06 1ioi h GLU 194 Ca 0.37 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1ioi h GLU 194 Cb 0.57 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1ioi h GLU 194 CO -0.44 0.79 0.14 0.00 -1.18 0.00 0.00 179.01 178.33 1ioi h ALA 195 N 1.31 0.53 -0.02 2.92 0.00 -0.18 0.24 119.26 124.05 1ioi h ALA 195 Ca 0.20 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1ioi h ALA 195 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ioi h ALA 195 CO -0.01 0.16 -0.64 -0.24 0.00 0.00 0.00 179.25 178.52 1ioi h VAL 196 N 0.51 1.43 -0.26 0.00 3.04 -1.15 -1.55 116.25 118.27 1ioi h VAL 196 Ca 0.13 -2.13 -0.14 0.00 -1.01 0.00 0.00 66.70 63.55 1ioi h VAL 196 Cb 0.24 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1ioi h VAL 196 CO -0.01 0.62 -0.43 0.11 -1.01 0.00 0.00 177.57 176.85 1ioi h LYS 197 N 0.07 0.64 0.00 4.17 1.57 -0.97 -2.18 116.57 119.86 1ioi h LYS 197 Ca -0.01 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1ioi h LYS 197 Cb 1.14 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ioi h LYS 197 CO 0.09 0.94 -0.07 0.28 -0.57 0.00 0.00 179.45 180.12 1ioi h VAL 198 N 0.52 0.77 0.05 0.50 2.07 -0.25 -2.54 116.25 117.37 1ioi h VAL 198 Ca 0.04 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ioi h VAL 198 Cb 0.96 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1ioi h VAL 198 CO 0.09 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1ioi h ALA 199 N 1.93 -0.07 -0.57 1.67 0.00 -0.92 -2.31 119.26 118.99 1ioi h ALA 199 Ca -0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1ioi h ALA 199 Cb 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1ioi h ALA 199 CO 0.01 -0.31 0.09 0.82 0.00 0.00 0.00 179.25 179.86 1ioi h ILE 200 N -0.52 0.63 -0.58 0.00 2.04 -1.25 -1.81 117.51 116.03 1ioi h ILE 200 Ca -0.01 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1ioi h ILE 200 Cb 0.47 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1ioi h ILE 200 CO 0.01 0.04 0.30 -0.33 0.00 0.00 0.00 178.15 178.17 1ioi h GLU 201 N 0.22 0.82 0.00 2.37 5.08 -1.46 -2.06 114.58 119.54 1ioi h GLU 201 Ca 0.30 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1ioi h GLU 201 Cb 0.44 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ioi h GLU 201 CO -0.40 0.65 -0.47 -0.39 -1.00 0.00 0.00 179.01 177.39 1ioi h VAL 202 N 0.78 0.93 -0.13 3.13 -1.51 -0.85 -2.56 116.25 116.04 1ioi h VAL 202 Ca 0.20 -1.94 0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1ioi h VAL 202 Cb 0.08 2.20 -0.04 0.00 -2.13 0.00 0.00 31.29 31.40 1ioi h VAL 202 CO -0.03 0.46 -0.09 0.00 -1.23 0.00 0.00 177.57 176.68 1ioi h ALA 203 N 1.53 0.01 -0.36 5.19 0.00 -1.23 -2.71 119.26 121.69 1ioi h ALA 203 Ca -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1ioi h ALA 203 Cb 1.16 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1ioi h ALA 203 CO 0.06 -0.54 -0.15 -0.07 0.00 0.00 0.00 179.25 178.55 1ioi h LEU 204 N -0.10 0.64 -0.24 0.00 3.38 -1.29 0.64 115.31 118.33 1ioi h LEU 204 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ioi h LEU 204 Cb 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ioi h LEU 204 CO -0.19 0.80 0.00 -0.62 0.09 0.00 0.00 178.44 178.53 1ioi n GLU 205 N -4.16 0.07 -0.12 1.13 1.02 -0.97 -3.51 120.64 114.10 1ioi n GLU 205 Ca 0.01 0.30 -0.24 0.00 -0.02 0.00 0.00 57.16 57.21 1ioi n GLU 205 Cb 0.37 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.07 1ioi n GLU 205 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ioi n GLU 206 N -1.77 0.57 -1.79 3.49 4.71 -0.93 -4.73 120.64 120.19 1ioi n GLU 206 Ca 0.03 0.32 -0.42 0.00 -0.01 0.00 0.00 57.16 57.08 1ioi n GLU 206 Cb 0.20 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.08 1ioi n GLU 206 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ioi n LEU 207 N -4.34 5.68 0.00 -4.62 -0.00 0.17 -5.11 117.00 108.79 1ioi n LEU 207 Ca -0.42 -3.77 0.00 0.00 -0.00 0.00 0.00 56.01 51.82 1ioi n LEU 207 Cb 0.76 -1.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 1ioi n LEU 207 CO 0.09 0.43 0.00 0.18 -0.00 0.00 0.00 177.39 178.09