#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 1.52 -0.08 0.03 1.02 -1.26 -2.08 119.74 118.89 1ioi s LYS 2 Ca 0.00 -0.59 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 1ioi s LYS 2 Cb 0.00 -1.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.94 1ioi s LYS 2 CO 0.00 0.30 -0.05 0.08 -0.92 0.00 0.00 175.35 174.76 1ioi s VAL 3 N -0.17 0.73 -0.04 3.17 1.01 -0.11 -0.99 120.40 124.00 1ioi s VAL 3 Ca 0.01 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1ioi s VAL 3 Cb -0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1ioi s VAL 3 CO 0.01 0.31 0.34 -0.22 0.00 0.00 0.00 175.10 175.54 1ioi s LEU 4 N 1.58 4.44 -0.05 3.92 0.20 -0.70 0.02 118.68 128.09 1ioi s LEU 4 Ca 0.01 0.82 -0.00 0.00 0.69 0.00 0.00 54.13 55.65 1ioi s LEU 4 Cb -0.13 -2.46 0.03 0.00 -0.43 0.00 0.00 46.19 43.19 1ioi s LEU 4 CO -0.05 0.32 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.64 1ioi s VAL 5 N -0.92 0.29 0.28 1.68 1.01 -0.09 -1.05 120.40 121.60 1ioi s VAL 5 Ca 0.21 0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1ioi s VAL 5 Cb -0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ioi s VAL 5 CO 0.11 0.20 -0.13 0.42 0.00 0.00 0.00 175.10 175.70 1ioi s THR 6 N 1.43 2.80 0.23 3.92 -4.23 -0.44 -0.29 115.64 119.05 1ioi s THR 6 Ca -0.04 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 58.15 1ioi s THR 6 Cb -0.13 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1ioi s THR 6 CO -0.03 -0.39 0.32 -0.83 -0.54 0.00 0.00 174.62 173.16 1ioi s GLY 7 N -3.56 0.95 0.17 3.99 0.00 -0.10 -2.08 107.32 106.69 1ioi s GLY 7 Ca 0.30 -1.25 0.10 0.00 0.00 0.00 0.00 44.72 43.87 1ioi s GLY 7 CO 0.17 -0.97 -0.16 -1.36 0.00 0.00 0.00 173.10 170.78 1ioi s PHE 8 N -4.07 2.51 0.85 1.90 0.40 -1.26 -0.34 117.98 117.98 1ioi s PHE 8 Ca 0.30 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 56.25 1ioi s PHE 8 Cb 0.03 -1.25 0.11 0.00 0.51 0.00 0.00 43.02 42.41 1ioi s PHE 8 CO 0.11 0.48 1.12 -1.83 0.70 0.00 0.00 175.22 175.80 1ioi s GLU 9 N -2.65 1.54 0.46 0.44 -1.05 -1.16 -2.76 118.70 113.52 1ioi s GLU 9 Ca 0.22 1.36 -0.25 0.00 -0.15 0.00 0.00 54.97 56.15 1ioi s GLU 9 Cb -0.09 -1.80 -0.08 0.00 -0.44 0.00 0.00 34.13 31.72 1ioi s GLU 9 CO 0.13 -2.20 1.40 -1.25 0.95 0.00 0.00 175.26 174.29 1ioi s PRO 10 N -4.77 3.66 0.26 -4.83 0.04 -1.26 -4.80 135.00 123.31 1ioi s PRO 10 Ca 0.64 2.37 0.01 0.00 0.04 0.00 0.00 61.00 64.06 1ioi s PRO 10 Cb -0.20 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1ioi s PRO 10 CO 0.57 -0.82 0.12 -0.59 0.04 0.00 0.00 177.00 176.33 1ioi s PHE 11 N -1.22 1.48 -1.00 0.56 -0.71 -1.26 -4.92 117.98 110.90 1ioi s PHE 11 Ca 0.62 -1.29 -0.08 0.00 -1.04 0.00 0.00 56.93 55.14 1ioi s PHE 11 Cb -0.43 -0.82 0.08 0.00 -1.21 0.00 0.00 43.02 40.65 1ioi s PHE 11 CO 0.54 -0.46 0.20 0.41 -1.34 0.00 0.00 175.22 174.58 1ioi n GLY 12 N -0.46 -0.16 1.42 1.99 0.00 -1.26 -1.23 105.19 105.48 1ioi n GLY 12 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.26 0.78 3.75 -0.02 0.00 -1.26 -5.02 105.19 102.15 1ioi n GLY 13 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.53 4.63 0.30 1.61 0.41 -0.36 -4.90 118.70 119.86 1ioi s GLU 14 Ca 0.00 1.72 0.16 0.00 -0.41 0.00 0.00 54.97 56.44 1ioi s GLU 14 Cb 0.00 -3.25 0.19 0.00 -1.78 0.00 0.00 34.13 29.29 1ioi s GLU 14 CO 0.00 0.16 1.50 -0.22 -0.49 0.00 0.00 175.26 176.21 1ioi h LYS 15 N 4.63 0.00 -3.10 1.61 3.11 -1.95 -3.39 116.57 117.48 1ioi h LYS 15 Ca -0.45 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 0.70 0.47 -0.31 -1.50 -2.81 0.00 0.00 179.45 176.01 1ioi s ILE 16 N -3.08 0.06 -0.24 2.00 1.10 -1.26 -4.90 121.20 114.89 1ioi s ILE 16 Ca 0.03 -0.50 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 1ioi s ILE 16 Cb 0.08 -0.59 0.06 0.00 0.15 0.00 0.00 42.46 42.17 1ioi s ILE 16 CO 0.73 -0.28 -0.03 0.21 -2.11 0.00 0.00 174.94 173.47 1ioi s ASN 17 N -1.33 3.74 0.65 4.50 3.84 -1.26 -4.72 114.94 120.37 1ioi s ASN 17 Ca -0.14 -1.18 0.23 0.00 0.21 0.00 0.00 52.86 51.98 1ioi s ASN 17 Cb -0.06 -1.08 1.24 0.00 -0.55 0.00 0.00 41.25 40.80 1ioi s ASN 17 CO 0.04 -0.26 1.69 1.55 -2.79 0.00 0.00 177.10 177.33 1ioi h PRO 18 N 8.00 0.00 0.00 0.43 0.13 -1.93 -2.73 132.00 135.89 1ioi h PRO 18 Ca -0.17 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.76 1ioi h PRO 18 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1ioi h PRO 18 CO 0.41 0.00 -0.98 1.79 -0.23 0.00 0.00 178.00 178.99 1ioi h THR 19 N 0.00 1.48 0.42 1.56 1.35 -1.92 -1.43 112.91 114.36 1ioi h THR 19 Ca 0.00 -3.13 -0.02 0.00 -0.55 0.00 0.00 66.41 62.71 1ioi h THR 19 Cb 0.96 2.72 -0.00 0.00 -1.73 0.00 0.00 68.15 70.10 1ioi h THR 19 CO 0.00 0.84 -0.23 -0.08 -0.25 0.00 0.00 175.52 175.80 1ioi h GLU 20 N 0.00 -0.59 -0.52 4.72 4.81 -1.30 0.26 114.58 121.96 1ioi h GLU 20 Ca -0.03 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ioi h GLU 20 Cb 1.72 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.21 1ioi h GLU 20 CO 0.11 -0.39 0.26 -0.09 -0.73 0.00 0.00 179.01 178.17 1ioi h ARG 21 N -0.61 0.73 -0.57 1.92 2.43 -1.63 -1.72 114.38 114.92 1ioi h ARG 21 Ca -0.05 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1ioi h ARG 21 Cb 0.49 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ioi h ARG 21 CO 0.07 0.56 0.04 0.82 -1.51 0.00 0.00 179.97 179.96 1ioi h ILE 22 N 0.73 1.25 -0.38 1.20 2.04 -1.04 -1.61 117.51 119.71 1ioi h ILE 22 Ca 0.18 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1ioi h ILE 22 Cb 0.07 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1ioi h ILE 22 CO -0.03 0.38 0.25 0.00 0.00 0.00 0.00 178.15 178.76 1ioi h ALA 23 N 1.14 0.49 0.00 1.87 0.00 -0.40 -1.87 119.26 120.49 1ioi h ALA 23 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1ioi h ALA 23 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ioi h ALA 23 CO 0.02 -0.05 -0.43 0.87 0.00 0.00 0.00 179.25 179.65 1ioi h LYS 24 N 0.52 0.00 0.00 0.00 1.57 -1.32 -2.13 116.57 115.21 1ioi h LYS 24 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1ioi h LYS 24 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ioi h LYS 24 CO -0.03 0.43 -0.71 -0.44 -0.57 0.00 0.00 179.45 178.13 1ioi h ASP 25 N 0.00 0.00 -0.01 0.86 3.45 -1.02 -3.28 116.42 116.42 1ioi h ASP 25 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ioi h ASP 25 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 1ioi h ASP 25 CO 0.06 0.13 -0.12 0.18 -1.57 0.00 0.00 179.24 177.92 1ioi n LEU 26 N -2.89 2.48 -4.69 1.55 4.77 -0.73 -4.85 117.00 112.64 1ioi n LEU 26 Ca 0.00 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 1ioi n LEU 26 Cb 0.60 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1ioi n LEU 26 CO 0.39 0.42 0.97 -0.62 -1.33 0.00 0.00 177.39 177.22 1ioi s ASP 27 N -2.13 7.03 0.00 -1.43 3.68 -0.82 -2.54 116.67 120.45 1ioi s ASP 27 Ca 0.27 1.87 0.00 0.00 2.13 0.00 0.00 52.55 56.82 1ioi s ASP 27 Cb 0.20 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 1ioi s ASP 27 CO 0.38 -0.59 0.00 0.61 0.13 0.00 0.00 175.17 175.70 1ioi n GLY 28 N 3.39 0.69 3.98 2.66 0.00 -0.06 -4.90 105.19 110.95 1ioi n GLY 28 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.47 2.22 -0.01 -0.61 -5.25 -1.05 -4.85 121.20 109.17 1ioi s ILE 29 Ca 0.00 -0.58 0.01 0.00 -0.99 0.00 0.00 60.65 59.09 1ioi s ILE 29 Cb 0.00 -2.64 0.01 0.00 2.95 0.00 0.00 42.46 42.78 1ioi s ILE 29 CO 0.00 0.00 -0.02 -0.54 -1.79 0.00 0.00 174.94 172.59 1ioi s LYS 30 N -5.10 0.31 -0.60 0.37 1.02 -1.26 -1.69 119.74 112.79 1ioi s LYS 30 Ca 0.65 -0.05 -0.02 0.00 0.02 0.00 0.00 55.97 56.56 1ioi s LYS 30 Cb -0.06 -0.36 0.15 0.00 -0.52 0.00 0.00 37.83 37.04 1ioi s LYS 30 CO 0.44 -0.01 0.40 0.42 -0.92 0.00 0.00 175.35 175.68 1ioi s ILE 31 N 0.34 3.59 0.00 2.17 -1.09 -0.54 -4.92 121.20 120.75 1ioi s ILE 31 Ca -0.03 -2.90 0.00 0.00 -2.23 0.00 0.00 60.65 55.49 1ioi s ILE 31 Cb -0.06 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ioi s ILE 31 CO -0.01 -0.85 0.00 0.61 -1.23 0.00 0.00 174.94 173.46 1ioi n GLY 32 N 3.56 2.71 0.34 6.18 0.00 -1.26 -2.12 105.19 114.61 1ioi n GLY 32 Ca 0.07 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.57 -3.36 1.61 2.03 -1.99 -3.45 116.42 111.83 1ioi h ASP 33 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1ioi h ASP 33 Cb 0.00 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 38.33 1ioi h ASP 33 CO 0.00 0.38 0.28 0.00 -1.03 0.00 0.00 179.24 178.86 1ioi s ALA 34 N -5.59 3.32 0.02 4.15 0.00 -0.90 -4.46 121.76 118.30 1ioi s ALA 34 Ca -0.09 0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 1ioi s ALA 34 Cb 0.19 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1ioi s ALA 34 CO 0.76 -0.29 0.70 -1.14 0.00 0.00 0.00 175.76 175.79 1ioi s GLN 35 N 1.23 4.43 -0.11 0.00 -0.44 -0.89 -1.46 119.66 122.43 1ioi s GLN 35 Ca 0.43 0.93 -0.01 0.00 -2.50 0.00 0.00 55.36 54.21 1ioi s GLN 35 Cb -0.19 -3.36 -0.03 0.00 -1.64 0.00 0.00 33.01 27.80 1ioi s GLN 35 CO 0.20 0.30 -0.05 0.08 0.50 0.00 0.00 175.29 176.33 1ioi s VAL 36 N -0.06 3.85 -0.07 1.34 1.01 -0.68 -0.93 120.40 124.86 1ioi s VAL 36 Ca 0.36 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1ioi s VAL 36 Cb -0.19 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1ioi s VAL 36 CO 0.21 0.56 -0.22 -0.36 0.00 0.00 0.00 175.10 175.29 1ioi s PHE 37 N -0.34 2.21 -0.14 5.22 0.40 0.10 -0.88 117.98 124.55 1ioi s PHE 37 Ca 0.05 -0.74 0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1ioi s PHE 37 Cb -0.12 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1ioi s PHE 37 CO 0.02 -0.27 -0.21 0.20 0.70 0.00 0.00 175.22 175.66 1ioi s GLY 38 N 0.09 1.33 0.02 4.36 0.00 -1.26 -0.91 107.32 110.95 1ioi s GLY 38 Ca -0.09 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1ioi s GLY 38 CO 0.05 0.02 -0.05 0.50 0.00 0.00 0.00 173.10 173.61 1ioi s ARG 39 N 0.87 0.41 -0.23 2.90 1.81 0.60 -4.67 118.95 120.63 1ioi s ARG 39 Ca -0.06 -0.43 -0.08 0.00 -1.72 0.00 0.00 55.73 53.44 1ioi s ARG 39 Cb -0.15 -0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.04 1ioi s ARG 39 CO -0.03 0.06 0.09 0.08 -0.68 0.00 0.00 175.30 174.82 1ioi s VAL 40 N -0.74 4.62 0.25 3.52 1.01 -1.26 -0.92 120.40 126.88 1ioi s VAL 40 Ca -0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1ioi s VAL 40 Cb -0.06 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 1ioi s VAL 40 CO -0.00 0.36 0.54 -0.76 0.00 0.00 0.00 175.10 175.24 1ioi s LEU 41 N 1.24 4.12 0.54 3.92 1.43 0.54 -4.91 118.68 125.55 1ioi s LEU 41 Ca 0.05 0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 53.75 1ioi s LEU 41 Cb -0.14 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1ioi s LEU 41 CO 0.04 -0.12 1.25 -2.16 0.23 0.00 0.00 176.35 175.59 1ioi s PRO 42 N -3.14 3.22 -1.17 1.29 0.04 -1.26 -3.00 135.00 130.98 1ioi s PRO 42 Ca 0.45 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.39 1ioi s PRO 42 Cb -0.11 -2.17 0.24 0.00 0.04 0.00 0.00 34.50 32.50 1ioi s PRO 42 CO 0.26 -1.04 1.61 0.28 0.04 0.00 0.00 177.00 178.15 1ioi n VAL 43 N -1.11 4.81 -3.49 -0.36 0.31 -1.26 -4.45 118.33 112.78 1ioi n VAL 43 Ca 0.11 -5.18 -0.12 0.00 -0.01 0.00 0.00 64.34 59.13 1ioi n VAL 43 Cb 0.47 -2.26 -0.10 0.00 -0.91 0.00 0.00 33.84 31.04 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 -1.08 -0.50 0.38 2.52 1.01 -1.26 0.49 120.40 121.96 1ioi s VAL 44 Ca 0.35 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 1ioi s VAL 44 Cb 0.05 -0.69 -0.11 0.00 0.00 0.00 0.00 36.38 35.63 1ioi s VAL 44 CO 0.04 -0.07 1.38 0.49 0.00 0.00 0.00 175.10 176.95 1ioi n PHE 45 N 5.35 2.59 0.00 5.22 3.01 -1.26 -0.64 117.46 131.73 1ioi n PHE 45 Ca -0.05 0.49 0.00 0.00 1.01 0.00 0.00 57.45 58.90 1ioi n PHE 45 Cb 0.50 -2.46 0.00 0.00 -0.01 0.00 0.00 39.48 37.51 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 0.63 2.03 0.31 1.37 0.00 -1.26 -4.59 105.19 103.68 1ioi n GLY 46 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 0.71 -0.85 1.61 3.64 -1.96 -1.00 116.57 118.73 1ioi h LYS 47 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ioi h LYS 47 Cb 0.00 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1ioi h LYS 47 CO 0.00 0.47 0.55 0.00 -2.27 0.00 0.00 179.45 178.20 1ioi h ALA 48 N 1.50 1.37 -0.32 5.00 0.00 -1.09 -1.78 119.26 123.94 1ioi h ALA 48 Ca 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1ioi h ALA 48 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ioi h ALA 48 CO -0.30 0.57 0.10 -0.22 0.00 0.00 0.00 179.25 179.41 1ioi h LYS 49 N 1.16 0.50 0.51 0.00 3.64 -1.46 0.15 116.57 121.06 1ioi h LYS 49 Ca 0.31 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1ioi h LYS 49 Cb -0.11 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1ioi h LYS 49 CO -0.06 0.54 -0.30 1.49 -2.27 0.00 0.00 179.45 178.85 1ioi h GLU 50 N 0.37 -0.72 -0.63 1.90 4.81 -1.30 0.24 114.58 119.24 1ioi h GLU 50 Ca 0.10 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1ioi h GLU 50 Cb 0.25 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 1ioi h GLU 50 CO -0.00 -0.48 0.15 0.28 -0.73 0.00 0.00 179.01 178.22 1ioi h VAL 51 N -0.75 0.62 -0.16 0.32 2.07 -1.36 -1.35 116.25 115.65 1ioi h VAL 51 Ca -0.07 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1ioi h VAL 51 Cb 0.60 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ioi h VAL 51 CO 0.08 0.05 -0.31 0.25 0.02 0.00 0.00 177.57 177.65 1ioi h LEU 52 N 0.27 0.31 0.04 2.57 7.12 -0.51 -2.57 115.31 122.55 1ioi h LEU 52 Ca 0.33 -0.11 -0.28 0.00 0.13 0.00 0.00 57.88 57.96 1ioi h LEU 52 Cb 0.51 -0.09 0.02 0.00 -0.53 0.00 0.00 40.66 40.57 1ioi h LEU 52 CO -0.42 0.62 -1.17 -0.33 -0.13 0.00 0.00 178.44 177.01 1ioi h GLU 53 N 0.27 0.49 -0.27 1.25 5.08 0.28 -2.30 114.58 119.39 1ioi h GLU 53 Ca 0.04 -0.66 0.06 0.00 -1.00 0.00 0.00 59.36 57.80 1ioi h GLU 53 Cb 0.69 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1ioi h GLU 53 CO 0.05 1.28 -0.16 0.87 -1.00 0.00 0.00 179.01 180.05 1ioi h LYS 54 N 0.22 -0.13 -0.22 2.33 1.57 -1.28 -1.25 116.57 117.82 1ioi h LYS 54 Ca -0.15 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1ioi h LYS 54 Cb 1.85 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.17 1ioi h LYS 54 CO 0.21 -0.09 0.09 1.15 -0.57 0.00 0.00 179.45 180.25 1ioi h THR 55 N -0.13 0.98 -0.56 -0.16 2.02 -1.46 0.12 112.91 113.71 1ioi h THR 55 Ca 0.14 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1ioi h THR 55 Cb 0.35 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1ioi h THR 55 CO -0.35 0.04 0.21 -0.07 0.37 0.00 0.00 175.52 175.72 1ioi h LEU 56 N 0.21 0.74 0.06 2.58 3.38 -1.34 0.16 115.31 121.09 1ioi h LEU 56 Ca 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ioi h LEU 56 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ioi h LEU 56 CO -0.07 0.67 -0.03 -0.08 0.09 0.00 0.00 178.44 179.02 1ioi h GLU 57 N 0.80 -0.08 -0.08 1.13 4.57 -0.58 0.34 114.58 120.68 1ioi h GLU 57 Ca 0.19 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1ioi h GLU 57 Cb 0.17 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1ioi h GLU 57 CO -0.02 0.18 0.01 1.49 -1.18 0.00 0.00 179.01 179.49 1ioi h GLU 58 N -0.33 0.13 0.02 1.92 4.22 -0.71 -3.32 114.58 116.52 1ioi h GLU 58 Ca -0.01 -0.04 -0.27 0.00 0.08 0.00 0.00 59.36 59.12 1ioi h GLU 58 Cb 0.29 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1ioi h GLU 58 CO 0.01 0.36 -1.47 0.82 -2.18 0.00 0.00 179.01 176.55 1ioi h ILE 59 N -0.11 1.15 -6.79 2.32 1.08 -0.78 -3.49 117.51 110.90 1ioi h ILE 59 Ca 0.02 -2.93 -0.56 0.00 -0.39 0.00 0.00 64.86 61.00 1ioi h ILE 59 Cb 0.29 2.60 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 1ioi h ILE 59 CO 0.00 0.70 -0.97 0.29 -0.69 0.00 0.00 178.15 177.48 1ioi n LYS 60 N -3.21 -1.01 -1.73 2.37 5.02 0.12 -4.92 118.16 114.79 1ioi n LYS 60 Ca -0.12 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 1ioi n LYS 60 Cb 1.02 -3.33 0.04 0.00 -0.02 0.00 0.00 35.03 32.74 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 -7.05 2.87 0.10 1.97 0.04 -1.26 -4.92 135.00 126.74 1ioi s PRO 61 Ca 0.31 1.26 0.10 0.00 0.04 0.00 0.00 61.00 62.70 1ioi s PRO 61 Cb -0.15 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.24 1ioi s PRO 61 CO 0.95 -1.18 1.13 -0.44 0.04 0.00 0.00 177.00 177.50 1ioi h ASP 62 N -0.12 0.00 -3.42 6.66 3.32 -1.42 -3.34 116.42 118.09 1ioi h ASP 62 Ca -0.46 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.16 1ioi h ASP 62 Cb 1.23 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.44 1ioi h ASP 62 CO 0.55 0.93 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.59 1ioi s ILE 63 N -2.72 0.64 -0.08 0.35 1.01 -1.17 -0.53 121.20 118.71 1ioi s ILE 63 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1ioi s ILE 63 Cb 0.09 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 1ioi s ILE 63 CO 0.81 0.26 -0.22 0.00 0.00 0.00 0.00 174.94 175.79 1ioi s ALA 64 N 0.99 1.97 -0.17 9.38 0.00 0.32 -1.72 121.76 132.52 1ioi s ALA 64 Ca -0.10 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ioi s ALA 64 Cb -0.14 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.31 1ioi s ALA 64 CO -0.00 0.30 -0.06 0.42 0.00 0.00 0.00 175.76 176.42 1ioi s ILE 65 N 0.21 1.20 -0.16 0.00 1.01 -0.22 -2.89 121.20 120.34 1ioi s ILE 65 Ca -0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1ioi s ILE 65 Cb -0.16 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1ioi s ILE 65 CO 0.06 0.13 0.04 -1.00 0.00 0.00 0.00 174.94 174.17 1ioi s HIS 66 N 1.59 3.23 -0.02 3.97 3.76 -0.10 -1.33 115.29 126.39 1ioi s HIS 66 Ca 0.00 0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 1ioi s HIS 66 Cb -0.15 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 1ioi s HIS 66 CO -0.08 0.21 -0.15 0.08 -0.85 0.00 0.00 174.74 173.96 1ioi s VAL 67 N 0.10 1.18 0.04 -0.90 1.01 -0.89 -0.28 120.40 120.67 1ioi s VAL 67 Ca 0.04 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1ioi s VAL 67 Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1ioi s VAL 67 CO 0.01 0.34 0.10 -0.83 0.00 0.00 0.00 175.10 174.72 1ioi s GLY 68 N -0.14 0.18 -0.22 4.51 0.00 0.38 -4.13 107.32 107.89 1ioi s GLY 68 Ca 0.02 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1ioi s GLY 68 CO 0.00 -0.74 1.37 -2.27 0.00 0.00 0.00 173.10 171.46 1ioi s LEU 69 N -2.26 4.02 -0.89 0.66 0.20 -1.26 -0.43 118.68 118.72 1ioi s LEU 69 Ca -0.03 1.52 -0.01 0.00 0.69 0.00 0.00 54.13 56.31 1ioi s LEU 69 Cb 0.00 -3.54 0.25 0.00 -0.43 0.00 0.00 46.19 42.47 1ioi s LEU 69 CO -0.06 -0.99 0.93 0.00 -0.29 0.00 0.00 176.35 175.95 1ioi n ALA 70 N 7.37 4.15 -1.67 5.97 0.00 0.11 -4.88 120.51 131.57 1ioi n ALA 70 Ca 0.15 -4.68 -0.59 0.00 0.00 0.00 0.00 53.44 48.32 1ioi n ALA 70 Cb 0.45 -1.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 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 1.79 0.76 0.00 0.00 -0.02 -1.26 -1.97 135.00 134.31 1ioi n PRO 71 Ca 0.24 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1ioi n PRO 71 Cb 0.37 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 3.43 1.91 3.77 -1.23 0.00 -1.26 -5.01 105.19 106.80 1ioi n GLY 72 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.71 4.44 0.00 1.61 3.00 -0.83 -4.65 118.95 121.81 1ioi s ARG 73 Ca 0.00 1.69 0.22 0.00 0.00 0.00 0.00 55.73 57.64 1ioi s ARG 73 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 34.95 31.96 1ioi s ARG 73 CO 0.00 0.07 1.03 -1.13 0.00 0.00 0.00 175.30 175.27 1ioi n SER 74 N 0.68 1.59 -3.98 0.23 3.41 -1.26 -4.34 113.62 109.95 1ioi n SER 74 Ca 0.01 -1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 57.25 1ioi n SER 74 Cb 0.47 0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.69 -0.08 -0.03 7.33 0.00 -1.26 -4.94 121.76 120.09 1ioi s ALA 75 Ca 0.14 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1ioi s ALA 75 Cb 0.17 1.01 -0.06 0.00 0.00 0.00 0.00 23.12 24.24 1ioi s ALA 75 CO 0.69 -0.75 1.72 0.42 0.00 0.00 0.00 175.76 177.83 1ioi s ILE 76 N -4.00 3.47 -0.25 0.00 -1.09 -0.78 -4.21 121.20 114.33 1ioi s ILE 76 Ca 0.21 0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 59.15 1ioi s ILE 76 Cb 0.01 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1ioi s ILE 76 CO 0.05 -0.05 0.01 -0.94 -1.23 0.00 0.00 174.94 172.79 1ioi s SER 77 N 3.55 4.71 -0.38 3.58 1.04 -0.17 0.04 113.70 126.06 1ioi s SER 77 Ca 0.76 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 56.50 1ioi s SER 77 Cb -0.35 -1.81 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1ioi s SER 77 CO 0.32 -0.08 0.59 -0.63 0.98 0.00 0.00 173.24 174.42 1ioi s ILE 78 N 1.50 4.92 0.00 -1.02 -1.09 0.11 -0.64 121.20 124.99 1ioi s ILE 78 Ca 0.04 0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 1ioi s ILE 78 Cb -0.15 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1ioi s ILE 78 CO -0.00 -0.36 1.44 -1.61 -1.23 0.00 0.00 174.94 173.18 1ioi s GLU 79 N 2.61 4.27 -0.02 2.79 0.41 -0.69 0.39 118.70 128.45 1ioi s GLU 79 Ca 0.22 2.01 -0.10 0.00 -0.41 0.00 0.00 54.97 56.69 1ioi s GLU 79 Cb -0.15 -3.60 -0.31 0.00 -1.78 0.00 0.00 34.13 28.29 1ioi s GLU 79 CO 0.15 -0.61 0.78 -0.09 -0.49 0.00 0.00 175.26 175.00 1ioi h ARG 80 N 7.97 0.39 -3.75 1.61 2.43 -1.21 -3.41 114.38 118.41 1ioi h ARG 80 Ca -0.38 -0.67 -0.37 0.00 -0.81 0.00 0.00 59.98 57.75 1ioi h ARG 80 Cb 1.18 0.25 -0.35 0.00 -0.42 0.00 0.00 29.97 30.63 1ioi h ARG 80 CO 0.91 1.30 -0.75 0.96 -1.51 0.00 0.00 179.97 180.87 1ioi s ILE 81 N -2.59 0.26 -0.09 1.20 -0.00 -1.26 -1.64 121.20 117.07 1ioi s ILE 81 Ca -0.13 0.08 -0.11 0.00 -0.00 0.00 0.00 60.65 60.49 1ioi s ILE 81 Cb 0.05 -0.36 -0.05 0.00 -0.00 0.00 0.00 42.46 42.11 1ioi s ILE 81 CO 0.87 0.18 0.25 0.00 -0.00 0.00 0.00 174.94 176.24 1ioi s ALA 82 N 1.22 3.76 0.11 2.27 0.00 0.70 -4.40 121.76 125.43 1ioi s ALA 82 Ca -0.07 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 51.51 1ioi s ALA 82 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1ioi s ALA 82 CO -0.02 0.46 -0.25 0.14 0.00 0.00 0.00 175.76 176.10 1ioi s VAL 83 N -0.72 2.05 -1.24 0.00 -7.23 -1.26 -1.08 120.40 110.92 1ioi s VAL 83 Ca 0.18 -1.62 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 1ioi s VAL 83 Cb -0.14 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1ioi s VAL 83 CO 0.07 0.08 2.26 -3.20 -0.31 0.00 0.00 175.10 174.00 1ioi n ASN 84 N 1.11 4.51 -3.63 4.85 2.85 0.12 -4.82 115.26 120.24 1ioi n ASN 84 Ca -0.18 -2.68 -0.11 0.00 -0.11 0.00 0.00 54.58 51.49 1ioi n ASN 84 Cb 0.53 -1.42 -0.07 0.00 1.24 0.00 0.00 39.78 40.06 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 3.53 -1.90 -0.07 5.20 0.00 -1.26 -3.68 121.76 123.57 1ioi s ALA 85 Ca 0.53 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.40 1ioi s ALA 85 Cb 0.14 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1ioi s ALA 85 CO -0.02 -0.28 -0.13 0.42 0.00 0.00 0.00 175.76 175.75 1ioi s ILE 86 N 0.14 3.12 -0.45 0.00 -1.09 0.55 -4.74 121.20 118.73 1ioi s ILE 86 Ca 0.01 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 1ioi s ILE 86 Cb -0.05 -2.25 0.18 0.00 -1.58 0.00 0.00 42.46 38.76 1ioi s ILE 86 CO -0.03 0.57 0.54 -0.62 -1.23 0.00 0.00 174.94 174.17 1ioi s ASP 87 N -0.43 -0.14 -0.09 3.58 3.68 -0.64 -1.82 116.67 120.82 1ioi s ASP 87 Ca 0.05 -1.98 -0.30 0.00 2.13 0.00 0.00 52.55 52.46 1ioi s ASP 87 Cb -0.12 0.99 -0.02 0.00 -1.45 0.00 0.00 42.92 42.32 1ioi s ASP 87 CO 0.02 -0.14 1.06 0.00 0.13 0.00 0.00 175.17 176.24 1ioi s ALA 88 N 0.86 3.43 -0.02 3.66 0.00 0.47 -4.62 121.76 125.54 1ioi s ALA 88 Ca 0.27 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.45 1ioi s ALA 88 Cb -0.03 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.43 1ioi s ALA 88 CO -0.09 -0.64 1.13 -0.09 0.00 0.00 0.00 175.76 176.07 1ioi h ARG 89 N 7.19 0.26 -6.20 0.00 1.12 -1.90 -3.40 114.38 111.46 1ioi h ARG 89 Ca -0.32 -0.23 -0.49 0.00 -1.11 0.00 0.00 59.98 57.82 1ioi h ARG 89 Cb 1.15 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 31.13 1ioi h ARG 89 CO 0.86 0.90 -0.50 0.96 -3.11 0.00 0.00 179.97 179.08 1ioi s ILE 90 N -3.46 4.48 0.43 1.20 -4.36 -1.26 -5.06 121.20 113.16 1ioi s ILE 90 Ca -0.15 -1.32 -0.24 0.00 -0.26 0.00 0.00 60.65 58.68 1ioi s ILE 90 Cb 0.02 -3.46 -0.08 0.00 1.25 0.00 0.00 42.46 40.20 1ioi s ILE 90 CO 0.76 -0.32 1.20 -2.16 0.24 0.00 0.00 174.94 174.65 1ioi s PRO 91 N -3.89 3.90 1.23 0.37 0.04 -1.26 -4.68 135.00 130.71 1ioi s PRO 91 Ca 0.34 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 1ioi s PRO 91 Cb -0.08 -2.58 0.30 0.00 0.04 0.00 0.00 34.50 32.18 1ioi s PRO 91 CO 0.26 -0.46 1.01 0.16 0.04 0.00 0.00 177.00 178.01 1ioi s ASP 92 N -1.14 0.50 0.00 6.66 3.84 -0.29 -4.81 116.67 121.43 1ioi s ASP 92 Ca 0.60 1.22 0.00 0.00 -0.00 0.00 0.00 52.55 54.37 1ioi s ASP 92 Cb -0.32 -1.86 0.00 0.00 -1.38 0.00 0.00 42.92 39.37 1ioi s ASP 92 CO 0.39 -4.45 0.69 0.59 -0.00 0.00 0.00 175.17 172.39 1ioi n ASN 93 N -5.06 0.00 -0.15 2.11 5.03 0.18 -1.16 115.26 116.21 1ioi n ASN 93 Ca 0.06 0.20 0.08 0.00 0.87 0.00 0.00 54.58 55.80 1ioi n ASN 93 Cb 0.57 -0.20 -0.06 0.00 -1.02 0.00 0.00 39.78 39.06 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 -1.19 1.47 0.00 3.52 1.02 -1.26 -4.98 120.64 119.22 1ioi n GLU 94 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1ioi n GLU 94 Cb 0.01 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.34 0.73 3.51 0.62 0.00 -0.31 -5.08 105.19 106.00 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 -0.53 3.29 -0.25 1.61 1.02 -1.25 -4.79 119.74 118.83 1ioi s LYS 96 Ca 0.00 -0.39 -0.14 0.00 0.02 0.00 0.00 55.97 55.46 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 -1.13 0.34 0.21 -0.92 0.00 0.00 175.35 173.85 1ioi s LYS 97 N 3.04 4.05 -0.24 1.68 2.20 -1.26 -1.14 119.74 128.07 1ioi s LYS 97 Ca 0.24 0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.84 1ioi s LYS 97 Cb -0.14 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 1ioi s LYS 97 CO 0.19 -0.18 -0.07 0.42 -0.36 0.00 0.00 175.35 175.35 1ioi s ILE 98 N 1.77 2.88 -0.17 5.43 1.01 -1.26 -4.94 121.20 125.91 1ioi s ILE 98 Ca 0.14 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 1ioi s ILE 98 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ioi s ILE 98 CO 0.09 0.26 0.02 -1.61 0.00 0.00 0.00 174.94 173.70 1ioi s GLU 99 N 1.35 3.85 -1.14 2.79 0.41 -1.26 -0.40 118.70 124.29 1ioi s GLU 99 Ca 0.01 -0.42 -0.24 0.00 -0.41 0.00 0.00 54.97 53.91 1ioi s GLU 99 Cb -0.16 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 29.11 1ioi s GLU 99 CO -0.05 0.26 0.76 -0.25 -0.49 0.00 0.00 175.26 175.49 1ioi n ASP 100 N 3.54 -5.02 -4.57 -0.19 8.00 -0.75 -4.93 116.55 112.62 1ioi n ASP 100 Ca -0.17 -1.09 -0.31 0.00 0.71 0.00 0.00 54.79 53.93 1ioi n ASP 100 Cb 0.52 -2.83 -0.11 0.00 -0.02 0.00 0.00 41.12 38.68 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 -6.34 2.41 0.54 -1.24 2.56 -0.76 -4.94 118.70 110.93 1ioi s GLU 101 Ca 0.46 -0.81 -0.17 0.00 0.00 0.00 0.00 54.97 54.45 1ioi s GLU 101 Cb -0.19 -2.42 -0.06 0.00 2.00 0.00 0.00 34.13 33.45 1ioi s GLU 101 CO 0.90 0.58 1.02 -1.25 -0.56 0.00 0.00 175.26 175.94 1ioi s PRO 102 N -1.56 3.70 -0.08 4.30 0.04 -1.26 -0.33 135.00 139.82 1ioi s PRO 102 Ca 0.18 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 1ioi s PRO 102 Cb -0.11 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ioi s PRO 102 CO 0.08 -0.49 -0.01 0.82 0.04 0.00 0.00 177.00 177.45 1ioi h ILE 103 N 0.82 0.00 -3.74 0.56 1.08 -1.88 -3.43 117.51 110.91 1ioi h ILE 103 Ca -0.47 -0.73 -0.67 0.00 -0.39 0.00 0.00 64.86 62.60 1ioi h ILE 103 Cb 1.20 0.00 -0.36 0.00 -3.07 0.00 0.00 36.82 34.59 1ioi h ILE 103 CO 0.60 0.00 -0.72 -0.69 -0.69 0.00 0.00 178.15 176.65 1ioi s VAL 104 N -1.45 2.58 -0.23 1.67 1.01 -1.26 -5.05 120.40 117.67 1ioi s VAL 104 Ca -0.01 -1.80 -0.37 0.00 0.00 0.00 0.00 61.98 59.80 1ioi s VAL 104 Cb 0.00 -2.64 -0.13 0.00 0.00 0.00 0.00 36.38 33.61 1ioi s VAL 104 CO 0.01 -0.28 1.90 -2.65 0.00 0.00 0.00 175.10 174.08 1ioi n PRO 105 N 4.46 1.49 0.00 2.72 -0.02 -1.26 -0.56 135.00 141.83 1ioi n PRO 105 Ca -0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1ioi n PRO 105 Cb 0.42 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 4.85 3.11 3.86 -1.23 0.00 -1.26 -5.03 105.19 109.50 1ioi n GLY 106 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.27 3.04 0.70 4.61 0.00 0.28 -4.99 121.76 123.13 1ioi s ALA 107 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 1ioi s ALA 107 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1ioi s ALA 107 CO 0.00 -0.77 0.47 -2.30 0.00 0.00 0.00 175.76 173.16 1ioi n PRO 108 N -2.80 0.31 -0.05 0.00 -0.02 -1.26 -4.91 135.00 126.26 1ioi n PRO 108 Ca 0.06 0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 1ioi n PRO 108 Cb 0.54 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.29 0.85 -3.66 3.45 2.02 -1.95 -3.39 112.91 109.95 1ioi h THR 109 Ca -0.45 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1ioi h THR 109 Cb 1.36 0.77 -0.15 0.00 -1.74 0.00 0.00 68.15 68.38 1ioi h THR 109 CO 0.43 0.01 -0.35 0.00 0.37 0.00 0.00 175.52 175.98 1ioi s ALA 110 N -6.19 -0.35 -0.08 6.16 0.00 -1.26 0.14 121.76 120.18 1ioi s ALA 110 Ca -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1ioi s ALA 110 Cb 0.10 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1ioi s ALA 110 CO 0.69 -0.46 -0.09 0.71 0.00 0.00 0.00 175.76 176.60 1ioi s TYR 111 N -3.31 1.35 0.42 0.00 1.51 -0.24 -5.03 117.35 112.05 1ioi s TYR 111 Ca 0.01 -0.54 -0.23 0.00 -1.01 0.00 0.00 57.07 55.29 1ioi s TYR 111 Cb 0.02 -1.06 -0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1ioi s TYR 111 CO -0.08 -0.34 1.09 -0.06 -1.11 0.00 0.00 175.55 175.05 1ioi s PHE 112 N 1.04 3.12 0.29 2.71 2.99 -1.26 -0.21 117.98 126.66 1ioi s PHE 112 Ca -0.08 1.60 -0.29 0.00 0.00 0.00 0.00 56.93 58.16 1ioi s PHE 112 Cb -0.15 -3.21 -0.10 0.00 0.00 0.00 0.00 43.02 39.57 1ioi s PHE 112 CO -0.01 -0.94 1.23 0.45 -0.00 0.00 0.00 175.22 175.96 1ioi s SER 113 N -1.51 6.96 0.02 1.36 0.15 -0.65 -4.91 113.70 115.13 1ioi s SER 113 Ca 0.60 2.50 0.24 0.00 0.70 0.00 0.00 55.95 59.99 1ioi s SER 113 Cb -0.24 -2.64 0.36 0.00 -1.71 0.00 0.00 66.02 61.80 1ioi s SER 113 CO 0.30 -0.40 1.31 0.35 1.20 0.00 0.00 173.24 176.00 1ioi n THR 114 N 1.24 0.06 -1.89 6.45 -2.24 -0.19 -4.93 114.28 112.77 1ioi n THR 114 Ca 0.01 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1ioi n THR 114 Cb 0.43 0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.97 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 -3.23 3.91 -0.91 3.22 1.43 -0.81 -4.63 118.68 117.67 1ioi s LEU 115 Ca 0.09 2.68 -0.21 0.00 -1.03 0.00 0.00 54.13 55.66 1ioi s LEU 115 Cb 0.17 -4.23 -0.13 0.00 0.03 0.00 0.00 46.19 42.03 1ioi s LEU 115 CO 0.73 -1.39 1.94 -0.81 0.23 0.00 0.00 176.35 177.05 1ioi n PRO 116 N -0.82 1.66 0.03 1.29 -0.04 -1.26 -4.81 135.00 131.05 1ioi n PRO 116 Ca 0.09 -2.05 0.01 0.00 -0.04 0.00 0.00 63.50 61.51 1ioi n PRO 116 Cb 0.45 -3.10 0.35 0.00 -0.04 0.00 0.00 33.50 31.16 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 4.77 1.17 -0.03 0.52 -2.65 -1.93 -1.01 117.51 118.36 1ioi h ILE 117 Ca 0.40 -0.67 -0.19 0.00 1.03 0.00 0.00 64.86 65.43 1ioi h ILE 117 Cb 0.72 0.94 -0.01 0.00 -2.05 0.00 0.00 36.82 36.42 1ioi h ILE 117 CO 1.81 0.23 -0.79 0.11 0.03 0.00 0.00 178.15 179.54 1ioi h LYS 118 N 0.43 0.28 -0.13 0.16 1.79 -1.99 -1.38 116.57 115.74 1ioi h LYS 118 Ca 0.10 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.20 1ioi h LYS 118 Cb 0.27 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ioi h LYS 118 CO 0.01 0.93 -0.37 0.87 -1.08 0.00 0.00 179.45 179.81 1ioi h LYS 119 N 0.18 0.48 -0.10 3.15 6.56 -1.80 0.13 116.57 125.16 1ioi h LYS 119 Ca -0.04 -0.34 0.01 0.00 -1.06 0.00 0.00 60.65 59.22 1ioi h LYS 119 Cb 1.38 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.08 1ioi h LYS 119 CO 0.13 0.96 0.03 0.82 -2.06 0.00 0.00 179.45 179.33 1ioi h ILE 120 N 0.08 0.98 -0.85 1.86 2.04 -1.24 -0.95 117.51 119.42 1ioi h ILE 120 Ca -0.01 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1ioi h ILE 120 Cb 0.99 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1ioi h ILE 120 CO 0.08 0.02 0.42 -0.03 0.00 0.00 0.00 178.15 178.64 1ioi h MET 121 N 0.09 1.21 -0.06 2.37 4.05 -1.03 -0.45 114.93 121.11 1ioi h MET 121 Ca 0.04 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 1ioi h MET 121 Cb 0.02 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 1ioi h MET 121 CO -0.04 0.92 -0.47 -0.22 0.23 0.00 0.00 176.91 177.33 1ioi h LYS 122 N 1.21 0.15 -0.06 0.39 3.64 -0.22 -2.27 116.57 119.42 1ioi h LYS 122 Ca 0.29 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1ioi h LYS 122 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1ioi h LYS 122 CO -0.04 0.59 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.30 1ioi h LYS 123 N 0.13 0.25 -0.74 1.90 1.63 -0.69 -1.88 116.57 117.17 1ioi h LYS 123 Ca 0.01 -0.19 0.15 0.00 -0.85 0.00 0.00 60.65 59.76 1ioi h LYS 123 Cb 0.88 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.44 1ioi h LYS 123 CO 0.07 0.82 0.27 -0.07 -3.45 0.00 0.00 179.45 177.08 1ioi h LEU 124 N -0.27 0.21 -0.54 5.20 3.38 -1.03 -1.54 115.31 120.71 1ioi h LEU 124 Ca -0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ioi h LEU 124 Cb 0.84 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1ioi h LEU 124 CO 0.04 0.07 0.30 0.45 0.09 0.00 0.00 178.44 179.39 1ioi h HIS 125 N 0.39 0.74 0.00 1.13 3.86 -1.24 0.14 115.15 120.17 1ioi h HIS 125 Ca 0.41 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 1ioi h HIS 125 Cb 0.64 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1ioi h HIS 125 CO -0.19 0.54 0.00 -0.85 0.86 0.00 0.00 177.93 178.29 1ioi n GLU 126 N -4.62 0.06 0.00 2.45 0.28 -0.72 -0.69 120.64 117.40 1ioi n GLU 126 Ca 0.03 0.05 0.15 0.00 -0.16 0.00 0.00 57.16 57.22 1ioi n GLU 126 Cb 0.08 -1.50 0.68 0.00 1.43 0.00 0.00 31.44 32.13 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 0.94 -1.68 3.44 3.00 -0.63 -4.93 116.66 115.32 1ioi n ARG 127 Ca 0.07 -0.31 -0.10 0.00 -0.00 0.00 0.00 57.85 57.52 1ioi n ARG 127 Cb 0.29 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.23 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 1.19 0.64 3.57 5.14 0.00 0.14 -5.02 105.19 110.85 1ioi n GLY 128 Ca 0.18 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.43 5.27 0.14 -0.61 -1.09 0.43 -4.98 121.20 117.92 1ioi s ILE 129 Ca 0.00 0.08 -0.31 0.00 -2.23 0.00 0.00 60.65 58.19 1ioi s ILE 129 Cb 0.00 -3.65 -0.08 0.00 -1.58 0.00 0.00 42.46 37.15 1ioi s ILE 129 CO 0.00 0.11 1.38 -2.16 -1.23 0.00 0.00 174.94 173.04 1ioi s PRO 130 N 1.82 4.33 -0.09 2.79 0.04 -1.26 -3.23 135.00 139.40 1ioi s PRO 130 Ca 0.08 2.08 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 1ioi s PRO 130 Cb -0.16 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.19 1ioi s PRO 130 CO 0.11 -0.40 0.50 0.00 0.04 0.00 0.00 177.00 177.25 1ioi s ALA 131 N 0.84 -1.26 0.20 8.56 0.00 -1.26 -1.86 121.76 126.98 1ioi s ALA 131 Ca 0.63 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 1ioi s ALA 131 Cb -0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1ioi s ALA 131 CO 0.32 -0.29 0.37 1.52 0.00 0.00 0.00 175.76 177.69 1ioi s TYR 132 N -0.71 0.36 -0.45 0.00 -0.85 0.11 -4.96 117.35 110.84 1ioi s TYR 132 Ca -0.08 -0.71 -0.27 0.00 -0.52 0.00 0.00 57.07 55.49 1ioi s TYR 132 Cb -0.03 0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.39 1ioi s TYR 132 CO 0.05 -0.83 1.03 0.42 -1.52 0.00 0.00 175.55 174.70 1ioi s ILE 133 N -3.98 4.36 0.22 -3.49 -1.09 -1.26 0.08 121.20 116.04 1ioi s ILE 133 Ca 0.19 1.05 -0.25 0.00 -2.23 0.00 0.00 60.65 59.41 1ioi s ILE 133 Cb 0.02 -4.50 -0.09 0.00 -1.58 0.00 0.00 42.46 36.31 1ioi s ILE 133 CO 0.03 -0.87 0.83 -0.55 -1.23 0.00 0.00 174.94 173.15 1ioi s SER 134 N 2.29 7.38 0.00 3.58 0.15 0.16 -4.88 113.70 122.38 1ioi s SER 134 Ca 0.43 1.70 0.17 0.00 0.70 0.00 0.00 55.95 58.94 1ioi s SER 134 Cb -0.09 -2.52 0.37 0.00 -1.71 0.00 0.00 66.02 62.07 1ioi s SER 134 CO 0.28 0.12 1.29 0.59 1.20 0.00 0.00 173.24 176.72 1ioi n ASN 135 N 1.23 3.13 -3.76 5.45 5.03 -1.26 -0.66 115.26 124.42 1ioi n ASN 135 Ca -0.03 -1.92 -0.13 0.00 0.87 0.00 0.00 54.58 53.38 1ioi n ASN 135 Cb 0.49 -0.25 -0.12 0.00 -1.02 0.00 0.00 39.78 38.88 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 -1.12 -0.26 -0.15 6.41 0.15 -1.26 -4.70 113.70 112.76 1ioi s SER 136 Ca 0.31 0.51 0.16 0.00 0.70 0.00 0.00 55.95 57.63 1ioi s SER 136 Cb 0.17 0.47 0.62 0.00 -1.71 0.00 0.00 66.02 65.57 1ioi s SER 136 CO 0.23 -0.12 1.53 0.00 1.20 0.00 0.00 173.24 176.09 1ioi n ALA 137 N 3.47 3.10 -0.38 5.45 0.00 -1.26 -5.04 120.51 125.85 1ioi n ALA 137 Ca -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.39 1ioi n ALA 137 Cb 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.33 -0.38 1.97 0.00 0.00 -1.26 -3.50 105.19 102.35 1ioi n GLY 138 Ca 0.23 -1.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.31 0.00 0.99 4.77 -1.26 -4.65 117.00 117.16 1ioi n LEU 139 Ca 0.00 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 1ioi n LEU 139 Cb 0.00 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1ioi n LEU 139 CO 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 177.39 177.13 1ioi n TYR 140 N -0.27 0.00 0.04 -1.77 9.36 -1.26 -1.62 117.16 121.64 1ioi n TYR 140 Ca -0.05 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.36 1ioi n TYR 140 Cb 0.91 0.00 0.69 0.00 -0.63 0.00 0.00 39.34 40.32 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 -1.61 115.31 118.07 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 -0.63 -0.43 0.02 -1.97 -1.79 113.55 108.79 1ioi h SER 142 Ca 0.22 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1ioi h SER 142 Cb 0.89 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1ioi h SER 142 CO -0.00 0.38 0.19 -1.13 -1.14 0.00 0.00 176.83 175.13 1ioi h ASN 143 N -0.30 0.94 0.03 3.07 -1.24 -1.54 0.13 115.58 116.66 1ioi h ASN 143 Ca 0.01 -0.17 0.02 0.00 0.71 0.00 0.00 56.30 56.87 1ioi h ASN 143 Cb 0.36 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 1ioi h ASN 143 CO 0.00 0.89 -0.16 0.22 -1.29 0.00 0.00 177.43 177.09 1ioi h TYR 144 N 0.97 -0.42 0.00 0.67 3.20 -1.26 0.18 116.97 120.32 1ioi h TYR 144 Ca 0.21 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.91 1ioi h TYR 144 Cb 0.29 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1ioi h TYR 144 CO 0.02 -0.24 -0.90 -0.39 -1.64 0.00 0.00 178.16 175.01 1ioi h VAL 145 N -0.28 1.64 -0.24 1.81 -1.51 -1.27 -0.70 116.25 115.70 1ioi h VAL 145 Ca 0.04 -3.05 -0.02 0.00 -1.23 0.00 0.00 66.70 62.45 1ioi h VAL 145 Cb 0.33 2.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1ioi h VAL 145 CO -0.13 0.87 0.06 -0.03 -1.23 0.00 0.00 177.57 177.11 1ioi h MET 146 N 0.01 0.33 0.00 5.19 1.85 -0.68 -2.76 114.93 118.86 1ioi h MET 146 Ca -0.01 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 58.94 1ioi h MET 146 Cb 1.59 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.54 1ioi h MET 146 CO 0.12 0.31 -0.53 -0.92 -0.40 0.00 0.00 176.91 175.48 1ioi h TYR 147 N 0.33 0.01 -0.88 1.39 3.20 -0.43 -3.08 116.97 117.52 1ioi h TYR 147 Ca 0.08 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.15 1ioi h TYR 147 Cb 0.12 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1ioi h TYR 147 CO 0.00 1.21 0.59 -0.07 -1.64 0.00 0.00 178.16 178.25 1ioi h LEU 148 N -0.99 0.36 0.13 2.82 3.38 -1.12 -0.58 115.31 119.31 1ioi h LEU 148 Ca -0.15 0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.59 1ioi h LEU 148 Cb 1.14 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.89 1ioi h LEU 148 CO -0.08 0.15 -1.14 -1.28 0.09 0.00 0.00 178.44 176.17 1ioi h SER 149 N 0.36 0.79 0.52 -0.43 0.87 -1.65 -0.76 113.55 113.24 1ioi h SER 149 Ca 0.45 -0.85 -0.06 0.00 -1.23 0.00 0.00 61.79 60.11 1ioi h SER 149 Cb 1.19 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1ioi h SER 149 CO -0.15 1.56 -0.27 -0.07 -0.53 0.00 0.00 176.83 177.36 1ioi h LEU 150 N 0.13 0.00 -0.07 2.23 3.38 -1.33 -1.77 115.31 117.88 1ioi h LEU 150 Ca -0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1ioi h LEU 150 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1ioi h LEU 150 CO 0.22 0.27 -0.19 -0.74 0.09 0.00 0.00 178.44 178.09 1ioi h HIS 151 N 0.00 0.34 -0.86 1.13 2.76 -1.13 -1.63 115.15 115.76 1ioi h HIS 151 Ca -0.00 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.01 1ioi h HIS 151 Cb 0.60 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 1ioi h HIS 151 CO 0.00 0.80 0.44 1.25 -1.30 0.00 0.00 177.93 179.12 1ioi h HIS 152 N -0.22 1.21 -0.47 5.26 -0.00 -1.12 -0.56 115.15 119.26 1ioi h HIS 152 Ca -0.00 -0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.38 1ioi h HIS 152 Cb 0.80 -0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 27.77 1ioi h HIS 152 CO 0.12 0.86 0.17 1.03 -0.00 0.00 0.00 177.93 180.11 1ioi h SER 153 N 1.21 0.18 -0.09 3.26 0.87 -1.28 0.11 113.55 117.81 1ioi h SER 153 Ca 0.30 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 1ioi h SER 153 Cb 0.08 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1ioi h SER 153 CO -0.04 0.13 -0.23 0.00 -0.53 0.00 0.00 176.83 176.16 1ioi h ALA 154 N 1.31 1.10 0.10 6.23 0.00 -0.77 -1.75 119.26 125.47 1ioi h ALA 154 Ca 0.22 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1ioi h ALA 154 Cb 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ioi h ALA 154 CO -0.22 0.56 -0.63 1.15 0.00 0.00 0.00 179.25 180.11 1ioi h THR 155 N 0.46 1.56 -0.01 0.00 2.02 -0.95 -3.41 112.91 112.57 1ioi h THR 155 Ca 0.07 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.78 1ioi h THR 155 Cb 0.65 3.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1ioi h THR 155 CO 0.05 0.68 -0.05 0.29 0.37 0.00 0.00 175.52 176.85 1ioi n LYS 156 N -4.25 1.01 0.00 6.66 5.02 0.38 -5.00 118.16 121.97 1ioi n LYS 156 Ca -0.14 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 1ioi n LYS 156 Cb 0.73 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 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 0.76 2.96 3.06 0.72 0.00 -0.66 -5.00 105.19 107.04 1ioi n GLY 157 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.72 0.62 0.94 1.61 -0.85 -1.25 -4.40 117.35 112.30 1ioi s TYR 158 Ca 0.00 -0.56 -0.11 0.00 -0.52 0.00 0.00 57.07 55.87 1ioi s TYR 158 Cb 0.00 -0.38 0.10 0.00 0.38 0.00 0.00 41.96 42.06 1ioi s TYR 158 CO 0.00 -0.12 0.81 -0.35 -1.52 0.00 0.00 175.55 174.37 1ioi n PRO 159 N 1.29 -0.41 0.07 -3.49 -0.04 -1.25 -3.28 135.00 127.89 1ioi n PRO 159 Ca -0.22 -0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.02 1ioi n PRO 159 Cb 0.55 -2.14 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.76 0.24 -5.72 0.54 6.56 -0.97 -3.42 116.57 112.04 1ioi h LYS 160 Ca -0.43 -0.42 -0.62 0.00 -1.06 0.00 0.00 60.65 58.12 1ioi h LYS 160 Cb 1.28 0.15 -0.31 0.00 -0.57 0.00 0.00 32.23 32.78 1ioi h LYS 160 CO 0.38 1.13 -0.86 -1.64 -2.06 0.00 0.00 179.45 176.40 1ioi s MET 161 N -2.63 2.04 -0.01 3.15 -1.94 -0.91 -4.95 119.30 114.04 1ioi s MET 161 Ca -0.07 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.05 1ioi s MET 161 Cb 0.07 -1.79 0.01 0.00 2.01 0.00 0.00 34.83 35.13 1ioi s MET 161 CO 0.86 0.34 0.24 0.45 -0.01 0.00 0.00 175.02 176.89 1ioi s SER 162 N -0.15 -0.11 0.00 3.03 0.15 -1.25 -0.53 113.70 114.85 1ioi s SER 162 Ca -0.01 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1ioi s SER 162 Cb -0.12 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1ioi s SER 162 CO 0.02 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1ioi n GLY 163 N 1.48 -0.57 3.11 9.45 0.00 -1.14 -1.02 105.19 116.49 1ioi n GLY 163 Ca -0.21 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 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 1.52 -0.12 1.61 2.19 -1.26 -0.92 117.98 119.00 1ioi s PHE 164 Ca 0.00 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.88 1ioi s PHE 164 Cb 0.00 -1.02 0.01 0.00 -1.31 0.00 0.00 43.02 40.70 1ioi s PHE 164 CO 0.00 -0.12 -0.19 0.42 1.83 0.00 0.00 175.22 177.16 1ioi s ILE 165 N -0.02 1.76 -0.23 3.12 1.01 0.61 -1.71 121.20 125.74 1ioi s ILE 165 Ca -0.02 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 1ioi s ILE 165 Cb -0.10 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1ioi s ILE 165 CO 0.01 0.49 0.14 -1.00 0.00 0.00 0.00 174.94 174.59 1ioi s HIS 166 N 0.86 3.30 0.06 3.97 3.76 0.19 -0.47 115.29 126.95 1ioi s HIS 166 Ca -0.08 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 1ioi s HIS 166 Cb -0.15 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 1ioi s HIS 166 CO -0.01 0.06 -0.02 0.14 -0.85 0.00 0.00 174.74 174.06 1ioi s VAL 167 N 1.00 3.93 1.40 -0.90 -7.23 0.43 -1.00 120.40 118.02 1ioi s VAL 167 Ca 0.07 -0.91 -0.23 0.00 -1.81 0.00 0.00 61.98 59.11 1ioi s VAL 167 Cb -0.13 -2.82 0.36 0.00 0.56 0.00 0.00 36.38 34.34 1ioi s VAL 167 CO 0.04 0.21 0.96 -2.84 -0.31 0.00 0.00 175.10 173.16 1ioi s PRO 168 N -2.02 -2.73 0.62 4.82 0.02 -1.26 -0.71 135.00 133.74 1ioi s PRO 168 Ca 0.23 0.08 -0.18 0.00 0.02 0.00 0.00 61.00 61.14 1ioi s PRO 168 Cb -0.12 -1.41 -0.02 0.00 0.02 0.00 0.00 34.50 32.98 1ioi s PRO 168 CO 0.15 -4.73 1.20 0.71 -0.33 0.00 0.00 177.00 174.00 1ioi s TYR 169 N -2.40 2.35 0.23 6.54 2.02 -1.20 -4.71 117.35 120.18 1ioi s TYR 169 Ca 0.69 1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 58.88 1ioi s TYR 169 Cb -0.12 -3.46 -0.05 0.00 -0.40 0.00 0.00 41.96 37.93 1ioi s TYR 169 CO 0.57 -2.24 0.46 0.96 -1.57 0.00 0.00 175.55 173.74 1ioi s ILE 170 N -1.71 5.10 0.28 2.71 -4.36 -1.25 0.10 121.20 122.07 1ioi s ILE 170 Ca 0.76 -0.04 0.02 0.00 -0.26 0.00 0.00 60.65 61.13 1ioi s ILE 170 Cb -0.29 -3.70 0.27 0.00 1.25 0.00 0.00 42.46 39.99 1ioi s ILE 170 CO 0.36 -0.18 1.72 -0.65 0.24 0.00 0.00 174.94 176.43 1ioi h PRO 171 N 2.10 0.49 0.00 0.37 0.11 -1.93 0.52 132.00 133.65 1ioi h PRO 171 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ioi h PRO 171 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ioi h PRO 171 CO 0.68 0.32 -0.02 1.05 -0.21 0.00 0.00 178.00 179.82 1ioi h GLU 172 N 0.50 0.00 0.00 1.05 9.09 -1.95 -0.83 114.58 122.44 1ioi h GLU 172 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 1ioi h GLU 172 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 1ioi h GLU 172 CO -0.46 0.02 -0.62 1.96 0.05 0.00 0.00 179.01 179.96 1ioi h GLN 173 N 0.00 0.00 -0.00 1.06 4.20 -1.28 -3.36 115.11 115.73 1ioi h GLN 173 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1ioi h GLN 173 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1ioi h GLN 173 CO 0.00 0.00 -0.77 0.82 -0.67 0.00 0.00 178.83 178.21 1ioi h ILE 174 N 0.00 1.53 0.00 2.54 1.08 -1.16 -3.32 117.51 118.18 1ioi h ILE 174 Ca 0.00 -2.57 -0.00 0.00 -0.39 0.00 0.00 64.86 61.90 1ioi h ILE 174 Cb 0.98 2.39 -0.00 0.00 -3.07 0.00 0.00 36.82 37.12 1ioi h ILE 174 CO 0.00 0.74 -0.00 0.16 -0.69 0.00 0.00 178.15 178.36 1ioi h ILE 175 N 0.03 0.01 -0.00 -0.67 -0.00 -1.68 -1.16 117.51 114.03 1ioi h ILE 175 Ca -0.01 -0.37 0.00 0.00 -0.00 0.00 0.00 64.86 64.47 1ioi h ILE 175 Cb 1.36 1.37 0.00 0.00 -0.00 0.00 0.00 36.82 39.55 1ioi h ILE 175 CO 0.11 0.00 -0.53 -0.90 -0.00 0.00 0.00 178.15 176.83 1ioi n ASP 176 N -3.09 0.69 0.00 2.16 5.68 -1.25 -3.85 116.55 116.89 1ioi n ASP 176 Ca -0.00 -0.48 -0.17 0.00 -0.50 0.00 0.00 54.79 53.64 1ioi n ASP 176 Cb 0.24 0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 40.50 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 0.25 0.72 -0.97 0.11 1.79 -1.38 -3.08 116.57 114.01 1ioi h LYS 177 Ca 0.00 -0.62 0.30 0.00 -2.18 0.00 0.00 60.65 58.15 1ioi h LYS 177 Cb 0.51 0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 31.15 1ioi h LYS 177 CO 0.00 1.23 0.43 0.82 -1.08 0.00 0.00 179.45 180.85 1ioi h ILE 178 N 0.48 0.25 -0.53 1.86 2.04 0.10 0.21 117.51 121.92 1ioi h ILE 178 Ca -0.06 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1ioi h ILE 178 Cb 1.45 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1ioi h ILE 178 CO 0.16 0.04 0.21 1.23 0.00 0.00 0.00 178.15 179.79 1ioi h GLY 179 N 0.23 0.72 -3.91 5.37 0.00 -1.67 -1.98 103.07 101.84 1ioi h GLY 179 Ca 0.69 -0.12 -0.61 0.00 0.00 0.00 0.00 47.33 47.28 1ioi h GLY 179 CO -0.66 0.02 0.79 0.58 0.00 0.00 0.00 176.54 177.28 1ioi n LYS 180 N -4.98 2.52 -1.62 4.80 2.85 0.10 -4.87 118.16 116.96 1ioi n LYS 180 Ca 0.06 -2.98 -0.10 0.00 -1.05 0.00 0.00 58.31 54.23 1ioi n LYS 180 Cb 0.20 -2.17 -0.03 0.00 -0.65 0.00 0.00 35.03 32.38 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 -0.71 0.75 2.99 2.58 0.00 -0.74 -5.03 105.19 105.02 1ioi n GLY 181 Ca 0.57 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.46 0.90 -0.45 1.61 -0.44 0.51 -4.93 119.66 113.40 1ioi s GLN 182 Ca 0.00 -0.28 0.02 0.00 -2.50 0.00 0.00 55.36 52.60 1ioi s GLN 182 Cb 0.00 -0.85 0.13 0.00 -1.64 0.00 0.00 33.01 30.66 1ioi s GLN 182 CO 0.00 0.10 0.24 0.54 0.50 0.00 0.00 175.29 176.67 1ioi s VAL 183 N 0.20 1.58 0.70 1.34 0.11 -1.26 0.26 120.40 123.32 1ioi s VAL 183 Ca -0.03 -2.65 -0.15 0.00 -2.93 0.00 0.00 61.98 56.22 1ioi s VAL 183 Cb -0.08 -2.11 0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1ioi s VAL 183 CO 0.00 -0.87 1.15 -2.84 -3.33 0.00 0.00 175.10 169.21 1ioi s PRO 184 N 0.28 2.47 0.36 1.54 0.02 -1.26 -5.01 135.00 133.39 1ioi s PRO 184 Ca 0.17 1.55 -0.28 0.00 0.02 0.00 0.00 61.00 62.46 1ioi s PRO 184 Cb -0.25 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.27 1ioi s PRO 184 CO 0.00 -1.54 1.44 -2.14 -0.33 0.00 0.00 177.00 174.43 1ioi s PRO 185 N -4.03 4.18 0.23 5.54 0.02 -1.26 -4.96 135.00 134.71 1ioi s PRO 185 Ca 0.70 2.47 0.09 0.00 0.02 0.00 0.00 61.00 64.28 1ioi s PRO 185 Cb -0.24 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1ioi s PRO 185 CO 0.43 -0.44 -0.15 -1.54 -0.33 0.00 0.00 177.00 174.97 1ioi s SER 186 N -0.21 2.84 -0.08 2.53 1.04 -1.26 -3.26 113.70 115.30 1ioi s SER 186 Ca 0.52 -1.03 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 1ioi s SER 186 Cb -0.45 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.52 1ioi s SER 186 CO 0.59 -0.12 0.20 -0.32 0.98 0.00 0.00 173.24 174.57 1ioi s MET 187 N -3.61 0.22 0.40 4.02 1.75 0.12 -4.92 119.30 117.28 1ioi s MET 187 Ca 0.25 0.32 -0.26 0.00 -1.25 0.00 0.00 55.69 54.75 1ioi s MET 187 Cb -0.02 0.07 -0.08 0.00 2.84 0.00 0.00 34.83 37.64 1ioi s MET 187 CO 0.09 -0.05 1.24 -1.54 -0.65 0.00 0.00 175.02 174.11 1ioi s SER 188 N 0.32 6.39 0.27 1.11 1.04 -1.26 -3.91 113.70 117.66 1ioi s SER 188 Ca -0.02 2.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.91 1ioi s SER 188 Cb -0.03 -2.63 0.59 0.00 0.10 0.00 0.00 66.02 64.05 1ioi s SER 188 CO -0.01 -0.78 1.67 0.22 0.98 0.00 0.00 173.24 175.31 1ioi h TYR 189 N 2.64 0.32 -0.42 5.02 3.20 -1.98 0.73 116.97 126.47 1ioi h TYR 189 Ca -0.49 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.39 1ioi h TYR 189 Cb 1.24 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1ioi h TYR 189 CO 0.54 -0.14 0.11 0.93 -1.64 0.00 0.00 178.16 177.95 1ioi h GLU 190 N 0.25 0.62 -0.05 1.82 3.07 -1.99 -0.18 114.58 118.12 1ioi h GLU 190 Ca 0.49 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 59.08 1ioi h GLU 190 Cb 0.91 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1ioi h GLU 190 CO -0.59 0.57 -0.69 1.98 -1.40 0.00 0.00 179.01 178.88 1ioi h MET 191 N 0.61 0.26 0.32 2.33 4.05 -1.23 -2.73 114.93 118.53 1ioi h MET 191 Ca 0.14 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1ioi h MET 191 Cb 0.22 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1ioi h MET 191 CO -0.00 0.85 -0.15 0.93 0.23 0.00 0.00 176.91 178.76 1ioi h GLU 192 N 0.18 -0.41 -0.72 0.39 5.08 -1.16 -0.76 114.58 117.18 1ioi h GLU 192 Ca -0.02 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1ioi h GLU 192 Cb 1.24 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.47 1ioi h GLU 192 CO 0.11 -0.10 0.12 1.25 -1.00 0.00 0.00 179.01 179.39 1ioi h LEU 193 N -0.97 -0.08 -0.96 1.33 5.85 -1.14 -1.07 115.31 118.26 1ioi h LEU 193 Ca -0.04 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1ioi h LEU 193 Cb 0.50 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1ioi h LEU 193 CO 0.07 -0.07 0.16 -0.08 -0.34 0.00 0.00 178.44 178.18 1ioi h GLU 194 N 0.22 0.92 -0.58 1.25 4.57 -1.50 -1.60 114.58 117.86 1ioi h GLU 194 Ca 0.40 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1ioi h GLU 194 Cb 0.68 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1ioi h GLU 194 CO -0.53 0.81 0.22 0.00 -1.18 0.00 0.00 179.01 178.32 1ioi h ALA 195 N 1.29 0.75 -0.01 2.92 0.00 0.08 0.17 119.26 124.47 1ioi h ALA 195 Ca 0.19 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1ioi h ALA 195 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ioi h ALA 195 CO -0.00 0.38 -0.73 -0.24 0.00 0.00 0.00 179.25 178.66 1ioi h VAL 196 N 0.80 1.49 -0.10 0.00 3.04 -1.09 -1.60 116.25 118.80 1ioi h VAL 196 Ca 0.19 -2.42 -0.15 0.00 -1.01 0.00 0.00 66.70 63.31 1ioi h VAL 196 Cb 0.23 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 1ioi h VAL 196 CO -0.01 0.70 -0.60 0.11 -1.01 0.00 0.00 177.57 176.75 1ioi h LYS 197 N 0.05 0.33 0.00 4.17 1.57 -0.94 -2.05 116.57 119.69 1ioi h LYS 197 Ca -0.01 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1ioi h LYS 197 Cb 1.29 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1ioi h LYS 197 CO 0.10 0.83 -0.17 0.28 -0.57 0.00 0.00 179.45 179.93 1ioi h VAL 198 N 0.25 0.92 0.13 0.50 2.07 -0.35 -2.45 116.25 117.32 1ioi h VAL 198 Ca -0.01 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1ioi h VAL 198 Cb 1.12 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ioi h VAL 198 CO 0.10 0.16 -0.06 0.00 0.02 0.00 0.00 177.57 177.79 1ioi h ALA 199 N 1.83 -0.17 -0.74 1.67 0.00 -0.84 -1.91 119.26 119.09 1ioi h ALA 199 Ca -0.00 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.85 1ioi h ALA 199 Cb 0.34 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1ioi h ALA 199 CO 0.02 -0.35 0.17 0.82 0.00 0.00 0.00 179.25 179.91 1ioi h ILE 200 N -0.67 0.49 -0.55 0.00 2.04 -1.29 -1.26 117.51 116.27 1ioi h ILE 200 Ca -0.02 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1ioi h ILE 200 Cb 0.50 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1ioi h ILE 200 CO 0.03 0.05 0.06 -0.33 0.00 0.00 0.00 178.15 177.96 1ioi h GLU 201 N 0.25 0.93 0.00 2.37 5.08 -1.39 -1.66 114.58 120.17 1ioi h GLU 201 Ca 0.42 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1ioi h GLU 201 Cb 0.73 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ioi h GLU 201 CO -0.53 0.91 -0.37 -0.39 -1.00 0.00 0.00 179.01 177.63 1ioi h VAL 202 N 0.82 0.70 0.00 3.13 -1.51 -0.51 -2.62 116.25 116.26 1ioi h VAL 202 Ca 0.16 -1.79 0.02 0.00 -1.23 0.00 0.00 66.70 63.87 1ioi h VAL 202 Cb 0.45 2.19 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 1ioi h VAL 202 CO 0.02 0.37 -0.15 0.00 -1.23 0.00 0.00 177.57 176.57 1ioi h ALA 203 N 1.63 -0.18 -0.39 5.19 0.00 -1.14 -2.69 119.26 121.67 1ioi h ALA 203 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ioi h ALA 203 Cb 1.16 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1ioi h ALA 203 CO 0.05 -0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 178.58 1ioi h LEU 204 N -0.25 0.60 -0.32 0.00 3.38 -1.25 0.64 115.31 118.12 1ioi h LEU 204 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ioi h LEU 204 Cb 0.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ioi h LEU 204 CO -0.14 0.67 0.00 -0.62 0.09 0.00 0.00 178.44 178.44 1ioi n GLU 205 N -4.25 0.09 -0.12 1.13 1.02 -0.99 -3.55 120.64 113.97 1ioi n GLU 205 Ca 0.02 0.32 -0.22 0.00 -0.02 0.00 0.00 57.16 57.26 1ioi n GLU 205 Cb 0.27 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.84 0.56 -1.76 3.49 4.71 -0.87 -4.74 120.64 120.19 1ioi n GLU 206 Ca 0.03 0.33 -0.42 0.00 -0.01 0.00 0.00 57.16 57.10 1ioi n GLU 206 Cb 0.20 -1.54 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 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 -4.36 5.67 0.00 -4.62 -0.00 0.16 -5.11 117.00 108.74 1ioi n LEU 207 Ca -0.38 -3.76 0.00 0.00 -0.00 0.00 0.00 56.01 51.87 1ioi n LEU 207 Cb 0.72 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.59 1ioi n LEU 207 CO 0.10 0.43 0.00 0.18 -0.00 0.00 0.00 177.39 178.10