#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5i s MET 1 N 0.00 1.79 0.20 4.33 0.00 -1.26 -5.05 119.30 119.31 1r5i s MET 1 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 55.69 54.59 1r5i s MET 1 Cb 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 34.83 33.01 1r5i s MET 1 CO 0.00 0.47 1.23 -1.59 0.00 0.00 0.00 175.02 175.13 1r5i s LYS 2 N -0.55 4.47 0.19 4.11 -2.85 -1.26 -5.04 119.74 118.81 1r5i s LYS 2 Ca 0.09 1.93 0.07 0.00 -1.00 0.00 0.00 55.97 57.06 1r5i s LYS 2 Cb -0.09 -3.22 -0.04 0.00 -2.06 0.00 0.00 37.83 32.43 1r5i s LYS 2 CO -0.01 -0.12 0.03 -0.51 0.10 0.00 0.00 175.35 174.85 1r5i s LEU 3 N -0.34 3.41 0.43 2.77 1.43 -1.26 -5.00 118.68 120.11 1r5i s LEU 3 Ca 0.53 -0.38 0.21 0.00 -1.03 0.00 0.00 54.13 53.46 1r5i s LEU 3 Cb -0.34 -2.03 0.93 0.00 0.03 0.00 0.00 46.19 44.79 1r5i s LEU 3 CO 0.38 0.06 1.85 0.03 0.23 0.00 0.00 176.35 178.90 1r5i h ARG 4 N 2.44 0.00 -3.67 1.70 3.08 -1.95 -3.36 114.38 112.62 1r5i h ARG 4 Ca -0.47 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 58.99 1r5i h ARG 4 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.86 1r5i h ARG 4 CO 0.59 0.28 -0.75 0.08 -1.07 0.00 0.00 179.97 179.10 1r5i s VAL 5 N -3.84 1.02 0.24 2.04 1.01 -1.26 -5.00 120.40 114.61 1r5i s VAL 5 Ca -0.01 -1.50 -0.11 0.00 0.00 0.00 0.00 61.98 60.36 1r5i s VAL 5 Cb 0.12 -1.77 0.32 0.00 0.00 0.00 0.00 36.38 35.05 1r5i s VAL 5 CO 0.65 -0.67 1.60 1.05 0.00 0.00 0.00 175.10 177.74 1r5i h GLU 6 N 8.04 0.01 -2.84 2.72 9.09 -1.99 -3.15 114.58 126.46 1r5i h GLU 6 Ca -0.13 -0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.67 1r5i h GLU 6 Cb 1.01 -0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 27.69 1r5i h GLU 6 CO 0.48 0.01 -0.57 0.09 0.05 0.00 0.00 179.01 179.07 1r5i n ASN 7 N -5.50 3.27 -4.61 3.06 3.02 -1.26 -4.97 115.26 108.28 1r5i n ASN 7 Ca 0.11 -3.28 -0.40 0.00 -0.03 0.00 0.00 54.58 50.98 1r5i n ASN 7 Cb 0.41 -0.74 0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1r5i n ASN 7 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1r5i n PRO 8 N 1.64 1.27 -3.42 3.52 -0.02 -1.19 -5.01 135.00 131.79 1r5i n PRO 8 Ca 0.23 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1r5i n PRO 8 Cb 0.37 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1r5i n PRO 8 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r5i s LYS 9 N -2.22 3.99 0.04 -0.52 1.02 -1.26 -4.95 119.74 115.84 1r5i s LYS 9 Ca 0.66 0.49 -0.38 0.00 0.02 0.00 0.00 55.97 56.76 1r5i s LYS 9 Cb -0.51 -3.13 -0.19 0.00 -0.52 0.00 0.00 37.83 33.48 1r5i s LYS 9 CO 0.54 0.61 1.13 1.17 -0.92 0.00 0.00 175.35 177.89 1r5i n LYS 10 N 1.45 0.40 -4.34 1.68 3.00 -1.26 -4.72 118.16 114.37 1r5i n LYS 10 Ca -0.10 0.15 -0.23 0.00 -0.00 0.00 0.00 58.31 58.12 1r5i n LYS 10 Cb 0.52 -1.66 -0.08 0.00 0.00 0.00 0.00 35.03 33.80 1r5i n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r5i s ALA 11 N 0.09 3.05 0.01 3.14 0.00 -1.26 -5.02 121.76 121.77 1r5i s ALA 11 Ca 0.87 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1r5i s ALA 11 Cb -1.14 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 1r5i s ALA 11 CO 0.54 0.26 -0.03 -1.14 0.00 0.00 0.00 175.76 175.39 1r5i s GLN 12 N -3.63 0.26 0.02 0.00 0.74 -1.26 -5.05 119.66 110.74 1r5i s GLN 12 Ca 0.31 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 55.26 1r5i s GLN 12 Cb -0.06 -0.02 -0.05 0.00 1.10 0.00 0.00 33.01 33.98 1r5i s GLN 12 CO 0.19 -0.01 0.25 -1.59 -0.55 0.00 0.00 175.29 173.58 1r5i s LYS 13 N -0.92 3.54 -0.08 1.67 -2.85 -1.26 -4.97 119.74 114.87 1r5i s LYS 13 Ca -0.09 -0.17 0.18 0.00 -1.00 0.00 0.00 55.97 54.89 1r5i s LYS 13 Cb -0.06 -3.06 0.63 0.00 -2.06 0.00 0.00 37.83 33.28 1r5i s LYS 13 CO -0.00 0.63 1.54 0.72 0.10 0.00 0.00 175.35 178.34 1r5i n HIS 14 N 0.90 1.18 -3.90 1.78 8.25 -1.26 -4.96 115.22 117.21 1r5i n HIS 14 Ca -0.10 -0.59 -0.25 0.00 -0.26 0.00 0.00 57.72 56.52 1r5i n HIS 14 Cb 0.52 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 1r5i n HIS 14 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1r5i n PHE 15 N 1.02 -1.72 -1.00 4.41 3.01 -1.26 -4.88 117.46 117.04 1r5i n PHE 15 Ca 0.23 0.77 0.08 0.00 1.01 0.00 0.00 57.45 59.55 1r5i n PHE 15 Cb 0.76 -3.87 0.27 0.00 -0.01 0.00 0.00 39.48 36.63 1r5i n PHE 15 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1r5i n VAL 16 N -4.38 2.32 0.25 -4.37 3.14 -1.26 -4.67 118.33 109.37 1r5i n VAL 16 Ca -0.30 -1.87 0.14 0.00 -2.96 0.00 0.00 64.34 59.36 1r5i n VAL 16 Cb 0.68 -0.26 0.59 0.00 -1.06 0.00 0.00 33.84 33.78 1r5i n VAL 16 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1r5i h GLN 17 N 1.91 0.00 -0.47 1.45 -0.00 -1.90 -3.21 115.11 112.90 1r5i h GLN 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1r5i h GLN 17 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.96 1r5i h GLN 17 CO 0.24 0.10 0.00 0.27 -0.00 0.00 0.00 178.83 179.45 1r5i n ASN 18 N -3.25 2.47 -4.76 0.06 0.23 -1.26 -4.84 115.26 103.90 1r5i n ASN 18 Ca 0.00 -2.05 -0.39 0.00 -0.53 0.00 0.00 54.58 51.62 1r5i n ASN 18 Cb 0.36 -0.32 -0.05 0.00 -2.08 0.00 0.00 39.78 37.68 1r5i n ASN 18 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1r5i s LEU 19 N -1.05 4.51 0.00 -4.53 1.43 -1.21 -4.98 118.68 112.85 1r5i s LEU 19 Ca 0.30 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 1r5i s LEU 19 Cb 0.16 -3.76 0.13 0.00 0.03 0.00 0.00 46.19 42.75 1r5i s LEU 19 CO 0.19 -0.03 1.00 0.59 0.23 0.00 0.00 176.35 178.33 1r5i n ASN 20 N 1.06 2.18 -2.70 2.29 3.02 -1.26 -4.78 115.26 115.07 1r5i n ASN 20 Ca -0.00 -1.77 -0.06 0.00 -0.03 0.00 0.00 54.58 52.72 1r5i n ASN 20 Cb 0.47 -0.09 0.07 0.00 -0.61 0.00 0.00 39.78 39.62 1r5i n ASN 20 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r5i n ASN 21 N 0.13 0.28 0.07 6.41 3.02 -1.26 -4.92 115.26 119.00 1r5i n ASN 21 Ca 0.05 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.01 1r5i n ASN 21 Cb 0.28 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 1r5i n ASN 21 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1r5i h VAL 22 N 3.23 1.43 -3.16 2.41 -1.51 -1.96 -3.45 116.25 113.25 1r5i h VAL 22 Ca -0.19 -2.43 -0.55 0.00 -1.23 0.00 0.00 66.70 62.30 1r5i h VAL 22 Cb 1.24 2.36 -0.02 0.00 -2.13 0.00 0.00 31.29 32.73 1r5i h VAL 22 CO 0.23 0.72 0.63 0.54 -1.23 0.00 0.00 177.57 178.46 1r5i s VAL 23 N -3.33 4.38 0.30 7.19 0.11 -1.26 -4.83 120.40 122.95 1r5i s VAL 23 Ca -0.05 1.69 -0.29 0.00 -2.93 0.00 0.00 61.98 60.40 1r5i s VAL 23 Cb 0.10 -4.09 -0.10 0.00 -1.53 0.00 0.00 36.38 30.76 1r5i s VAL 23 CO 0.84 0.03 1.32 -0.36 -3.33 0.00 0.00 175.10 173.60 1r5i s PHE 24 N 1.94 3.08 0.76 1.54 0.40 -1.26 -5.03 117.98 119.41 1r5i s PHE 24 Ca 0.54 1.34 -0.12 0.00 -0.60 0.00 0.00 56.93 58.09 1r5i s PHE 24 Cb -0.24 -3.69 0.05 0.00 0.51 0.00 0.00 43.02 39.65 1r5i s PHE 24 CO 0.22 -1.96 1.11 0.95 0.70 0.00 0.00 175.22 176.24 1r5i s THR 25 N -0.81 3.06 0.27 0.64 -4.23 -1.26 -4.85 115.64 108.46 1r5i s THR 25 Ca 0.51 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.35 1r5i s THR 25 Cb -0.40 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1r5i s THR 25 CO 0.49 -0.45 1.88 0.78 -0.54 0.00 0.00 174.62 176.79 1r5i h ASN 26 N -0.90 1.03 -0.02 3.99 4.21 -1.99 -1.43 115.58 120.47 1r5i h ASN 26 Ca -0.46 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.06 1r5i h ASN 26 Cb 1.27 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1r5i h ASN 26 CO 0.63 0.65 0.00 0.50 -1.29 0.00 0.00 177.43 177.92 1r5i h LYS 27 N 1.16 0.03 -0.72 0.81 1.63 -1.98 0.16 116.57 117.66 1r5i h LYS 27 Ca 0.44 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.34 1r5i h LYS 27 Cb 0.19 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.74 1r5i h LYS 27 CO -0.18 0.27 0.33 0.93 -3.45 0.00 0.00 179.45 177.35 1r5i h GLU 28 N -0.21 0.52 -0.14 1.90 5.08 -1.80 0.28 114.58 120.22 1r5i h GLU 28 Ca 0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1r5i h GLU 28 Cb 0.25 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1r5i h GLU 28 CO 0.00 0.35 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.26 1r5i h LEU 29 N 0.54 0.26 -0.71 1.33 3.38 -1.14 -2.86 115.31 116.12 1r5i h LEU 29 Ca 0.37 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1r5i h LEU 29 Cb 0.46 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1r5i h LEU 29 CO -0.32 0.57 0.42 -0.33 0.09 0.00 0.00 178.44 178.87 1r5i h GLU 30 N -0.04 0.77 -0.71 1.13 4.39 -0.13 -0.23 114.58 119.76 1r5i h GLU 30 Ca 0.04 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1r5i h GLU 30 Cb 0.45 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 1r5i h GLU 30 CO 0.01 0.51 0.47 -0.44 -1.16 0.00 0.00 179.01 178.41 1r5i h ASP 31 N 0.79 0.38 -0.04 1.42 3.32 -0.36 -0.07 116.42 121.86 1r5i h ASP 31 Ca 0.30 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1r5i h ASP 31 Cb 0.12 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1r5i h ASP 31 CO -0.15 0.21 -0.44 0.40 -1.72 0.00 0.00 179.24 177.54 1r5i h ILE 32 N 0.41 1.43 -0.65 0.35 2.04 -0.92 -3.23 117.51 116.95 1r5i h ILE 32 Ca 0.34 -1.89 0.09 0.00 1.00 0.00 0.00 64.86 64.40 1r5i h ILE 32 Cb 0.76 2.46 -0.04 0.00 -0.74 0.00 0.00 36.82 39.25 1r5i h ILE 32 CO -0.10 0.55 0.43 1.88 0.00 0.00 0.00 178.15 180.90 1r5i h TYR 33 N -0.14 0.55 0.00 1.37 0.99 0.33 -1.69 116.97 118.39 1r5i h TYR 33 Ca -0.04 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1r5i h TYR 33 Cb 1.12 -0.18 -0.00 0.00 1.00 0.00 0.00 36.73 38.67 1r5i h TYR 33 CO 0.14 0.27 -0.04 -0.91 -0.00 0.00 0.00 178.16 177.62 1r5i h ASN 34 N 0.52 0.00 0.29 3.88 2.35 -1.08 -2.23 115.58 119.31 1r5i h ASN 34 Ca 0.30 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1r5i h ASN 34 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1r5i h ASN 34 CO -0.09 0.04 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.36 1r5i h LEU 35 N 0.00 0.01 -6.03 1.61 3.38 -1.41 -3.23 115.31 109.64 1r5i h LEU 35 Ca -0.00 -0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1r5i h LEU 35 Cb 0.24 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1r5i h LEU 35 CO 0.00 0.30 2.87 -1.20 0.09 0.00 0.00 178.44 180.50 1r5i n SER 36 N -4.19 4.72 0.03 -0.43 7.64 -0.84 -4.65 113.62 115.90 1r5i n SER 36 Ca -0.02 -2.90 -0.03 0.00 1.01 0.00 0.00 58.87 56.92 1r5i n SER 36 Cb 0.34 -1.59 -0.09 0.00 -1.01 0.00 0.00 64.21 61.86 1r5i n SER 36 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r5i h ASN 37 N 5.80 0.00 -4.08 6.43 -1.07 -1.81 -3.46 115.58 117.40 1r5i h ASN 37 Ca 0.55 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 56.37 1r5i h ASN 37 Cb 0.60 0.00 0.14 0.00 -2.07 0.00 0.00 38.32 36.99 1r5i h ASN 37 CO 1.80 0.75 0.54 -0.54 0.07 0.00 0.00 177.43 180.05 1r5i s LYS 38 N -2.80 2.84 0.18 4.14 1.02 -1.26 -4.94 119.74 118.92 1r5i s LYS 38 Ca -0.02 2.08 -0.10 0.00 0.02 0.00 0.00 55.97 57.94 1r5i s LYS 38 Cb 0.08 -2.01 0.09 0.00 -0.52 0.00 0.00 37.83 35.48 1r5i s LYS 38 CO 0.81 -1.38 1.71 1.49 -0.92 0.00 0.00 175.35 177.06 1r5i h GLU 39 N 0.94 0.99 0.00 1.68 4.81 -2.02 -2.94 114.58 118.05 1r5i h GLU 39 Ca -0.51 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 1r5i h GLU 39 Cb 1.32 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1r5i h GLU 39 CO 0.55 0.87 0.00 0.39 -0.73 0.00 0.00 179.01 180.09 1r5i n GLU 40 N -4.36 0.02 0.00 1.92 4.71 -1.26 -1.54 120.64 120.12 1r5i n GLU 40 Ca 0.04 0.45 0.07 0.00 -0.01 0.00 0.00 57.16 57.71 1r5i n GLU 40 Cb 0.22 -1.54 0.06 0.00 -1.01 0.00 0.00 31.44 29.16 1r5i n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1r5i n THR 41 N -1.57 0.00 -0.23 2.62 -2.24 -1.11 -4.65 114.28 107.09 1r5i n THR 41 Ca 0.01 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.31 1r5i n THR 41 Cb 0.05 1.29 0.14 0.00 -2.10 0.00 0.00 70.33 69.71 1r5i n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1r5i h LYS 42 N 2.73 0.47 -0.32 -0.78 1.57 -1.34 -1.40 116.57 117.50 1r5i h LYS 42 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1r5i h LYS 42 Cb 0.58 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1r5i h LYS 42 CO 0.00 0.31 -0.15 0.93 -0.57 0.00 0.00 179.45 179.97 1r5i h GLU 43 N 0.48 0.67 -0.21 3.15 4.39 -1.82 -3.07 114.58 118.17 1r5i h GLU 43 Ca 0.35 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 1r5i h GLU 43 Cb 0.45 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1r5i h GLU 43 CO -0.32 0.88 -0.40 -0.24 -1.16 0.00 0.00 179.01 177.77 1r5i h VAL 44 N 0.43 1.30 -0.38 3.13 3.04 -1.84 -2.74 116.25 119.19 1r5i h VAL 44 Ca 0.07 -1.55 0.08 0.00 -1.01 0.00 0.00 66.70 64.30 1r5i h VAL 44 Cb 0.68 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 1r5i h VAL 44 CO 0.05 0.48 0.27 0.25 -1.01 0.00 0.00 177.57 177.61 1r5i h LEU 45 N 0.40 0.13 -0.00 3.16 6.46 -1.21 0.10 115.31 124.34 1r5i h LEU 45 Ca 0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1r5i h LEU 45 Cb 0.87 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1r5i h LEU 45 CO 0.07 0.08 -0.00 0.11 -0.62 0.00 0.00 178.44 178.08 1r5i h LYS 46 N 0.15 0.01 -0.87 1.25 1.57 -1.39 -1.82 116.57 115.46 1r5i h LYS 46 Ca 0.18 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 1r5i h LYS 46 Cb 0.51 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1r5i h LYS 46 CO -0.02 0.42 0.57 -0.07 -0.57 0.00 0.00 179.45 179.77 1r5i h LEU 47 N -0.40 0.81 0.30 2.94 4.07 -1.22 -1.06 115.31 120.75 1r5i h LEU 47 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1r5i h LEU 47 Cb 0.41 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1r5i h LEU 47 CO 0.00 0.50 -0.14 0.15 -1.08 0.00 0.00 178.44 177.87 1r5i h PHE 48 N 0.91 -0.37 -0.69 1.13 3.57 -0.89 -1.42 116.94 119.18 1r5i h PHE 48 Ca 0.39 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.94 1r5i h PHE 48 Cb 0.32 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1r5i h PHE 48 CO -0.00 -0.16 0.40 0.87 -2.23 0.00 0.00 178.31 177.19 1r5i h LYS 49 N -0.52 0.72 -1.01 1.11 1.57 -0.87 -0.54 116.57 117.03 1r5i h LYS 49 Ca -0.04 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1r5i h LYS 49 Cb 0.38 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1r5i h LYS 49 CO 0.07 0.48 0.66 -0.07 -0.57 0.00 0.00 179.45 180.01 1r5i h LEU 50 N 0.74 1.10 -0.21 2.94 4.07 -1.08 -0.93 115.31 121.94 1r5i h LEU 50 Ca 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.22 1r5i h LEU 50 Cb 0.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1r5i h LEU 50 CO -0.17 0.74 -0.00 0.50 -1.08 0.00 0.00 178.44 178.43 1r5i h LYS 51 N 1.27 0.37 -0.56 1.13 3.11 -0.10 -0.52 116.57 121.25 1r5i h LYS 51 Ca 0.41 -0.12 0.05 0.00 -2.81 0.00 0.00 60.65 58.18 1r5i h LYS 51 Cb 0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.17 1r5i h LYS 51 CO -0.13 0.57 0.30 0.28 -2.81 0.00 0.00 179.45 177.65 1r5i h VAL 52 N 0.12 0.96 -0.30 2.00 2.07 -0.66 0.32 116.25 120.76 1r5i h VAL 52 Ca 0.06 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1r5i h VAL 52 Cb 0.40 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1r5i h VAL 52 CO 0.01 0.10 0.17 0.78 0.02 0.00 0.00 177.57 178.66 1r5i h ASN 53 N 0.56 0.27 -0.95 0.57 2.35 -1.00 -0.20 115.58 117.19 1r5i h ASN 53 Ca 0.25 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1r5i h ASN 53 Cb 0.15 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1r5i h ASN 53 CO -0.17 0.20 0.63 -0.61 -1.65 0.00 0.00 177.43 175.83 1r5i h GLN 54 N 0.35 1.18 0.05 0.81 4.15 -0.11 -1.36 115.11 120.18 1r5i h GLN 54 Ca 0.12 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1r5i h GLN 54 Cb 0.01 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 1r5i h GLN 54 CO -0.06 0.78 -0.08 0.35 -1.93 0.00 0.00 178.83 177.88 1r5i h PHE 55 N 1.21 -0.22 0.03 3.99 3.57 0.58 0.30 116.94 126.41 1r5i h PHE 55 Ca 0.37 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.90 1r5i h PHE 55 Cb -0.01 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1r5i h PHE 55 CO -0.00 -0.13 -0.21 1.88 -2.23 0.00 0.00 178.31 177.62 1r5i h TYR 56 N -0.17 -0.55 -0.40 0.41 -1.99 -0.45 -0.78 116.97 113.03 1r5i h TYR 56 Ca 0.02 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.81 1r5i h TYR 56 Cb 0.19 0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 1r5i h TYR 56 CO -0.13 -0.30 0.27 0.00 -0.00 0.00 0.00 178.16 178.00 1r5i h ARG 57 N -0.35 0.34 -0.23 4.88 2.47 -1.02 -1.58 114.38 118.89 1r5i h ARG 57 Ca 0.05 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 1r5i h ARG 57 Cb 0.41 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1r5i h ARG 57 CO -0.17 0.22 -0.18 1.25 0.56 0.00 0.00 179.97 181.65 1r5i h HIS 58 N 0.35 0.63 0.23 3.04 2.76 -0.01 -0.60 115.15 121.54 1r5i h HIS 58 Ca 0.17 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1r5i h HIS 58 Cb 0.24 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1r5i h HIS 58 CO -0.00 0.84 -0.11 0.00 -1.30 0.00 0.00 177.93 177.36 1r5i h ALA 59 N 0.69 -0.31 0.00 5.26 0.00 -0.27 -1.71 119.26 122.92 1r5i h ALA 59 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1r5i h ALA 59 Cb 0.71 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r5i h ALA 59 CO 0.05 -0.66 -0.08 0.74 0.00 0.00 0.00 179.25 179.30 1r5i h PHE 60 N -0.33 0.00 -0.58 0.00 -1.00 -1.38 -1.10 116.94 112.55 1r5i h PHE 60 Ca -0.03 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 1r5i h PHE 60 Cb 0.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1r5i h PHE 60 CO -0.05 0.08 0.19 0.78 -1.61 0.00 0.00 178.31 177.69 1r5i h GLY 61 N 1.31 0.96 1.05 -1.45 0.00 -0.28 0.12 103.07 104.78 1r5i h GLY 61 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1r5i h GLY 61 CO 0.01 0.53 0.24 -2.22 0.00 0.00 0.00 176.54 175.10 1r5i h ILE 62 N 0.81 1.26 0.00 2.60 2.04 -0.36 -2.23 117.51 121.63 1r5i h ILE 62 Ca 0.19 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1r5i h ILE 62 Cb 0.28 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1r5i h ILE 62 CO -0.01 0.35 -0.16 -0.37 0.00 0.00 0.00 178.15 177.96 1r5i h VAL 63 N 1.07 0.31 -0.01 1.67 -1.51 -1.11 -1.65 116.25 115.01 1r5i h VAL 63 Ca 0.24 -1.23 -0.15 0.00 -1.23 0.00 0.00 66.70 64.33 1r5i h VAL 63 Cb 0.28 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 1r5i h VAL 63 CO -0.01 0.16 -0.69 -1.13 -1.23 0.00 0.00 177.57 174.67 1r5i h ASN 64 N 0.00 0.06 0.15 4.19 -0.73 -0.18 -2.69 115.58 116.37 1r5i h ASN 64 Ca -0.00 -0.04 -0.29 0.00 1.87 0.00 0.00 56.30 57.85 1r5i h ASN 64 Cb 0.96 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 39.48 1r5i h ASN 64 CO 0.02 0.73 -2.13 0.47 -0.37 0.00 0.00 177.43 176.15 1r5i n ASP 65 N -3.74 0.22 -1.03 1.15 8.00 -0.99 -4.64 116.55 115.52 1r5i n ASP 65 Ca -0.01 0.10 -0.00 0.00 0.71 0.00 0.00 54.79 55.59 1r5i n ASP 65 Cb 0.68 0.90 0.15 0.00 -0.02 0.00 0.00 41.12 42.82 1r5i n ASP 65 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1r5i n TYR 66 N -2.74 0.57 0.35 1.24 4.01 -0.63 -4.71 117.16 115.25 1r5i n TYR 66 Ca -0.24 -1.56 0.04 0.00 -0.16 0.00 0.00 57.90 55.98 1r5i n TYR 66 Cb 1.03 -0.26 0.20 0.00 -0.31 0.00 0.00 39.34 40.00 1r5i n TYR 66 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1r5i n ASN 67 N -0.87 0.00 -0.37 7.72 0.23 -1.01 -1.13 115.26 119.83 1r5i n ASN 67 Ca 0.22 0.36 0.13 0.00 -0.53 0.00 0.00 54.58 54.76 1r5i n ASN 67 Cb 0.79 -0.41 0.36 0.00 -2.08 0.00 0.00 39.78 38.44 1r5i n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r5i n GLY 68 N -0.58 -0.29 3.48 4.83 0.00 -1.26 -4.76 105.19 106.61 1r5i n GLY 68 Ca 0.03 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1r5i n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r5i s LEU 69 N -2.34 4.64 0.36 0.99 2.96 -0.28 -4.97 118.68 120.04 1r5i s LEU 69 Ca 0.27 -0.62 0.18 0.00 -0.22 0.00 0.00 54.13 53.74 1r5i s LEU 69 Cb 0.20 -2.11 1.27 0.00 0.50 0.00 0.00 46.19 46.04 1r5i s LEU 69 CO 0.47 -0.30 1.57 -0.11 -1.32 0.00 0.00 176.35 176.66 1r5i n LEU 70 N 5.09 0.29 0.00 -0.68 -0.00 -1.26 0.28 117.00 120.71 1r5i n LEU 70 Ca -0.12 1.66 0.11 0.00 -0.00 0.00 0.00 56.01 57.66 1r5i n LEU 70 Cb 0.49 -0.78 0.54 0.00 -0.00 0.00 0.00 43.42 43.66 1r5i n LEU 70 CO 0.37 -1.84 0.85 -0.62 -0.00 0.00 0.00 177.39 176.16 1r5i n GLU 71 N -5.29 0.25 -0.15 1.96 4.71 -1.26 -3.85 120.64 117.01 1r5i n GLU 71 Ca 0.36 0.09 0.15 0.00 -0.01 0.00 0.00 57.16 57.75 1r5i n GLU 71 Cb 1.22 -1.50 0.51 0.00 -1.01 0.00 0.00 31.44 30.66 1r5i n GLU 71 CO 0.00 0.00 0.00 0.10 0.09 0.00 0.00 177.13 177.32 1r5i h TYR 72 N 0.00 0.46 -0.50 -0.32 -0.00 -0.42 -1.19 116.97 115.01 1r5i h TYR 72 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 58.73 58.64 1r5i h TYR 72 Cb 0.25 -0.15 -0.02 0.00 -0.00 0.00 0.00 36.73 36.81 1r5i h TYR 72 CO 0.00 0.18 -0.08 0.87 -0.00 0.00 0.00 178.16 179.13 1r5i h LYS 73 N 0.40 0.94 0.04 0.10 1.57 -1.79 -1.21 116.57 116.63 1r5i h LYS 73 Ca 0.36 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1r5i h LYS 73 Cb 0.84 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1r5i h LYS 73 CO -0.11 1.00 -0.16 1.49 -0.57 0.00 0.00 179.45 181.10 1r5i h GLU 74 N 0.80 -0.27 -0.15 3.15 4.22 -1.48 0.11 114.58 120.95 1r5i h GLU 74 Ca 0.13 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1r5i h GLU 74 Cb 0.63 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1r5i h GLU 74 CO 0.04 -0.18 0.10 0.82 -2.18 0.00 0.00 179.01 177.61 1r5i h ILE 75 N -0.28 1.05 0.47 2.32 2.04 -1.44 0.93 117.51 122.60 1r5i h ILE 75 Ca 0.04 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1r5i h ILE 75 Cb 0.32 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1r5i h ILE 75 CO -0.12 0.04 -0.37 0.15 0.00 0.00 0.00 178.15 177.86 1r5i h PHE 76 N 0.19 -0.98 -0.66 1.37 3.57 -0.98 -1.79 116.94 117.67 1r5i h PHE 76 Ca 0.05 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1r5i h PHE 76 Cb -0.01 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1r5i h PHE 76 CO -0.06 -0.53 0.40 -0.91 -2.23 0.00 0.00 178.31 174.98 1r5i h ASN 77 N -0.83 0.65 -0.84 0.41 2.35 -0.67 -2.08 115.58 114.57 1r5i h ASN 77 Ca -0.05 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1r5i h ASN 77 Cb 0.71 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.87 1r5i h ASN 77 CO -0.00 0.45 0.50 0.24 -1.65 0.00 0.00 177.43 176.97 1r5i h MET 78 N 0.78 0.83 -0.14 0.81 2.86 -0.64 0.34 114.93 119.78 1r5i h MET 78 Ca 0.27 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1r5i h MET 78 Cb 0.04 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 1r5i h MET 78 CO -0.11 0.55 -0.21 0.52 1.06 0.00 0.00 176.91 178.72 1r5i h MET 79 N 0.86 -0.26 -0.01 1.72 2.86 -0.61 -0.60 114.93 118.89 1r5i h MET 79 Ca 0.40 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.95 1r5i h MET 79 Cb 0.31 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1r5i h MET 79 CO -0.22 -0.17 -0.49 0.74 1.06 0.00 0.00 176.91 177.82 1r5i h PHE 80 N -0.27 0.04 -0.29 -0.22 -1.00 -1.19 -1.27 116.94 112.75 1r5i h PHE 80 Ca 0.10 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.81 1r5i h PHE 80 Cb 0.42 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1r5i h PHE 80 CO -0.32 0.52 -0.08 -0.07 -1.61 0.00 0.00 178.31 176.74 1r5i h LEU 81 N 0.03 0.44 -0.11 1.54 3.38 -0.30 -0.58 115.31 119.71 1r5i h LEU 81 Ca -0.00 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1r5i h LEU 81 Cb 0.88 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1r5i h LEU 81 CO 0.07 0.57 -0.55 0.11 0.09 0.00 0.00 178.44 178.73 1r5i h LYS 82 N 0.44 0.57 -0.66 1.13 1.57 -0.68 -2.91 116.57 116.03 1r5i h LYS 82 Ca 0.09 -0.46 0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1r5i h LYS 82 Cb 0.42 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1r5i h LYS 82 CO 0.02 1.09 0.27 1.25 -0.57 0.00 0.00 179.45 181.51 1r5i h LEU 83 N 0.19 0.29 -0.76 2.94 6.46 -0.89 -0.28 115.31 123.26 1r5i h LEU 83 Ca -0.04 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 1r5i h LEU 83 Cb 1.19 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 1r5i h LEU 83 CO 0.11 0.16 0.39 -1.28 -0.62 0.00 0.00 178.44 177.21 1r5i h SER 84 N 0.46 0.52 -0.55 1.25 0.87 -1.01 0.68 113.55 115.78 1r5i h SER 84 Ca 0.33 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.88 1r5i h SER 84 Cb 0.41 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1r5i h SER 84 CO -0.31 0.29 0.03 0.58 -0.53 0.00 0.00 176.83 176.89 1r5i h VAL 85 N 0.65 1.26 -0.69 2.23 2.07 -0.92 -2.58 116.25 118.27 1r5i h VAL 85 Ca 0.38 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1r5i h VAL 85 Cb 0.41 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1r5i h VAL 85 CO -0.28 0.38 0.30 0.58 0.02 0.00 0.00 177.57 178.57 1r5i h VAL 86 N 0.83 1.23 0.00 2.57 2.07 0.06 -1.02 116.25 121.98 1r5i h VAL 86 Ca 0.16 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1r5i h VAL 86 Cb 0.49 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1r5i h VAL 86 CO 0.02 0.29 -0.01 -0.26 0.02 0.00 0.00 177.57 177.62 1r5i h PHE 87 N 0.99 0.00 -0.55 1.57 0.04 -0.56 -0.88 116.94 117.55 1r5i h PHE 87 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1r5i h PHE 87 Cb 0.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1r5i h PHE 87 CO 0.01 0.01 0.35 -0.44 -0.60 0.00 0.00 178.31 177.64 1r5i h ASP 88 N 0.00 0.65 -0.13 2.17 3.32 -0.81 0.28 116.42 121.90 1r5i h ASP 88 Ca -0.00 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1r5i h ASP 88 Cb 0.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1r5i h ASP 88 CO 0.00 0.50 -0.24 0.74 -1.72 0.00 0.00 179.24 178.52 1r5i h THR 89 N 0.74 1.37 -0.91 0.35 2.02 -1.25 -3.04 112.91 112.19 1r5i h THR 89 Ca 0.20 -1.51 0.13 0.00 0.77 0.00 0.00 66.41 66.01 1r5i h THR 89 Cb -0.04 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 1r5i h THR 89 CO -0.04 0.44 0.58 -0.61 0.37 0.00 0.00 175.52 176.27 1r5i h GLN 90 N -0.02 0.74 0.00 6.66 5.75 -0.86 -0.09 115.11 127.29 1r5i h GLN 90 Ca 0.01 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1r5i h GLN 90 Cb 0.83 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 1r5i h GLN 90 CO 0.05 0.49 -0.33 0.00 -2.65 0.00 0.00 178.83 176.39 1r5i h ARG 91 N 0.76 0.00 -0.06 1.69 3.08 -0.35 -1.78 114.38 117.72 1r5i h ARG 91 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1r5i h ARG 91 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1r5i h ARG 91 CO -0.22 0.33 0.00 0.36 -1.07 0.00 0.00 179.97 179.38 1r5i n LYS 92 N -3.93 1.35 -2.20 0.04 2.85 -0.54 -4.39 118.16 111.34 1r5i n LYS 92 Ca -0.02 -1.52 -0.02 0.00 -1.05 0.00 0.00 58.31 55.70 1r5i n LYS 92 Cb 0.40 -1.31 0.05 0.00 -0.65 0.00 0.00 35.03 33.52 1r5i n LYS 92 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1r5i n GLU 93 N 0.90 1.58 0.18 -1.58 -0.58 -0.16 -4.93 120.64 116.05 1r5i n GLU 93 Ca 0.10 -3.22 0.11 0.00 -0.42 0.00 0.00 57.16 53.73 1r5i n GLU 93 Cb 0.41 -1.31 0.57 0.00 -0.57 0.00 0.00 31.44 30.54 1r5i n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1r5i h ALA 94 N 2.01 1.06 0.00 0.62 0.00 -1.53 -2.46 119.26 118.96 1r5i h ALA 94 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r5i h ALA 94 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1r5i h ALA 94 CO 0.24 -0.06 -0.03 0.09 0.00 0.00 0.00 179.25 179.49 1r5i n ASN 95 N -2.27 1.58 -4.46 0.00 5.03 -1.26 -3.96 115.26 109.92 1r5i n ASN 95 Ca -0.01 -2.03 -0.43 0.00 0.87 0.00 0.00 54.58 52.97 1r5i n ASN 95 Cb 0.11 -0.10 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 1r5i n ASN 95 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1r5i s ASN 96 N -1.19 6.30 0.21 6.41 3.84 -0.93 -4.84 114.94 124.75 1r5i s ASN 96 Ca 0.06 -1.26 -0.09 0.00 0.21 0.00 0.00 52.86 51.78 1r5i s ASN 96 Cb 0.05 -2.43 0.26 0.00 -0.55 0.00 0.00 41.25 38.59 1r5i s ASN 96 CO 0.01 -1.37 1.80 -0.37 -2.79 0.00 0.00 177.10 174.38 1r5i h VAL 97 N 5.99 0.93 0.00 -5.21 -1.51 -1.92 -1.14 116.25 113.39 1r5i h VAL 97 Ca -0.15 -0.22 -0.04 0.00 -1.23 0.00 0.00 66.70 65.06 1r5i h VAL 97 Cb 1.05 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1r5i h VAL 97 CO 1.18 0.12 -0.18 1.05 -1.23 0.00 0.00 177.57 178.50 1r5i h GLU 98 N 0.64 0.00 -0.18 5.19 4.11 -1.97 -0.52 114.58 121.85 1r5i h GLU 98 Ca 0.31 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.52 1r5i h GLU 98 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1r5i h GLU 98 CO -0.21 0.18 -0.73 0.37 0.07 0.00 0.00 179.01 178.69 1r5i h GLN 99 N 0.00 0.81 -0.13 1.06 5.75 -1.60 -1.99 115.11 119.01 1r5i h GLN 99 Ca -0.00 -0.63 -0.08 0.00 -0.15 0.00 0.00 58.65 57.79 1r5i h GLN 99 Cb 0.38 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1r5i h GLN 99 CO 0.02 1.24 -0.26 0.82 -2.65 0.00 0.00 178.83 178.01 1r5i h ILE 100 N 0.57 1.24 -0.33 2.39 2.04 -0.57 0.74 117.51 123.59 1r5i h ILE 100 Ca -0.04 -1.13 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 1r5i h ILE 100 Cb 1.36 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1r5i h ILE 100 CO 0.15 0.34 -0.38 0.11 0.00 0.00 0.00 178.15 178.37 1r5i h LYS 101 N 0.21 0.77 -0.08 2.37 1.57 -0.98 -1.21 116.57 119.21 1r5i h LYS 101 Ca 0.03 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1r5i h LYS 101 Cb 0.58 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1r5i h LYS 101 CO 0.04 1.02 0.01 0.00 -0.57 0.00 0.00 179.45 179.95 1r5i h ARG 102 N 0.63 0.14 -0.66 3.15 3.08 -0.67 -1.44 114.38 118.61 1r5i h ARG 102 Ca 0.05 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.19 1r5i h ARG 102 Cb 0.94 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.88 1r5i h ARG 102 CO 0.09 0.37 0.20 -0.91 -1.07 0.00 0.00 179.97 178.65 1r5i h ASN 103 N -0.11 0.13 -0.48 7.04 2.35 -0.76 0.35 115.58 124.11 1r5i h ASN 103 Ca 0.03 0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1r5i h ASN 103 Cb 0.30 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1r5i h ASN 103 CO 0.00 0.06 0.28 0.40 -1.65 0.00 0.00 177.43 176.52 1r5i h ILE 104 N 0.35 1.03 -0.81 2.81 2.04 -0.96 0.09 117.51 122.06 1r5i h ILE 104 Ca 0.35 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1r5i h ILE 104 Cb 0.52 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1r5i h ILE 104 CO -0.39 0.10 0.50 0.00 0.00 0.00 0.00 178.15 178.36 1r5i h ALA 105 N 1.23 1.37 -0.19 1.87 0.00 0.26 -2.46 119.26 121.34 1r5i h ALA 105 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1r5i h ALA 105 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1r5i h ALA 105 CO -0.10 0.56 -0.04 0.82 0.00 0.00 0.00 179.25 180.48 1r5i h ILE 106 N 1.10 1.29 -0.76 0.00 2.04 0.63 -2.26 117.51 119.55 1r5i h ILE 106 Ca 0.29 -1.01 0.14 0.00 1.00 0.00 0.00 64.86 65.28 1r5i h ILE 106 Cb -0.08 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1r5i h ILE 106 CO -0.06 0.31 0.51 -0.07 0.00 0.00 0.00 178.15 178.83 1r5i h LEU 107 N 0.08 0.45 -0.67 1.44 3.38 -0.71 0.34 115.31 119.62 1r5i h LEU 107 Ca 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1r5i h LEU 107 Cb 0.48 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1r5i h LEU 107 CO 0.02 0.24 0.15 -0.78 0.09 0.00 0.00 178.44 178.16 1r5i h ASP 108 N 0.49 1.02 -0.10 -0.43 1.82 -1.04 -1.75 116.42 116.44 1r5i h ASP 108 Ca 0.37 -0.24 -0.13 0.00 -0.39 0.00 0.00 57.03 56.64 1r5i h ASP 108 Cb 0.76 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1r5i h ASP 108 CO -0.13 1.00 -0.36 -0.33 -1.61 0.00 0.00 179.24 177.81 1r5i h GLU 109 N 1.00 0.61 -0.44 0.28 5.08 0.06 -1.90 114.58 119.27 1r5i h GLU 109 Ca 0.21 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1r5i h GLU 109 Cb 0.38 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1r5i h GLU 109 CO 0.00 0.88 0.25 0.82 -1.00 0.00 0.00 179.01 179.97 1r5i h ILE 110 N 0.51 1.03 -0.82 3.13 2.04 -0.25 0.10 117.51 123.25 1r5i h ILE 110 Ca 0.05 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1r5i h ILE 110 Cb 0.86 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1r5i h ILE 110 CO 0.07 0.09 0.42 0.24 0.00 0.00 0.00 178.15 178.97 1r5i h MET 111 N 0.51 1.16 -0.26 2.37 2.86 -1.01 -0.48 114.93 120.08 1r5i h MET 111 Ca 0.18 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1r5i h MET 111 Cb 0.03 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1r5i h MET 111 CO -0.09 0.88 0.09 0.00 1.06 0.00 0.00 176.91 178.85 1r5i h ALA 112 N 1.29 0.35 -0.85 6.32 0.00 -0.70 -1.54 119.26 124.13 1r5i h ALA 112 Ca 0.29 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1r5i h ALA 112 Cb 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1r5i h ALA 112 CO -0.04 -0.03 0.51 -0.22 0.00 0.00 0.00 179.25 179.47 1r5i h LYS 113 N 0.26 0.87 0.12 0.00 1.63 -0.33 0.74 116.57 119.86 1r5i h LYS 113 Ca 0.09 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1r5i h LYS 113 Cb 0.23 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1r5i h LYS 113 CO -0.00 0.58 -0.20 0.00 -3.45 0.00 0.00 179.45 176.38 1r5i h ALA 114 N 1.43 -0.34 -0.72 5.00 0.00 -0.67 -0.01 119.26 123.96 1r5i h ALA 114 Ca 0.39 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1r5i h ALA 114 Cb 0.26 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1r5i h ALA 114 CO -0.21 -0.73 0.43 -0.44 0.00 0.00 0.00 179.25 178.31 1r5i h ASP 115 N -0.38 0.69 0.50 0.00 3.32 -0.27 0.17 116.42 120.44 1r5i h ASP 115 Ca 0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1r5i h ASP 115 Cb 0.39 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1r5i h ASP 115 CO -0.10 0.46 -0.32 -1.13 -1.72 0.00 0.00 179.24 176.43 1r5i h ASN 116 N 0.82 -0.82 -1.00 6.45 -1.24 -0.36 -0.92 115.58 118.51 1r5i h ASN 116 Ca 0.30 0.05 0.19 0.00 0.71 0.00 0.00 56.30 57.55 1r5i h ASN 116 Cb 0.10 0.24 -0.10 0.00 0.73 0.00 0.00 38.32 39.29 1r5i h ASN 116 CO -0.14 -0.49 0.61 0.44 -1.29 0.00 0.00 177.43 176.57 1r5i h ASP 117 N -0.77 0.75 0.05 1.15 5.19 -0.83 0.30 116.42 122.26 1r5i h ASP 117 Ca -0.07 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1r5i h ASP 117 Cb 0.63 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1r5i h ASP 117 CO 0.06 0.27 -0.06 0.25 -3.12 0.00 0.00 179.24 176.64 1r5i h LEU 118 N 0.73 -0.15 -1.09 1.55 5.85 -0.46 -1.21 115.31 120.53 1r5i h LEU 118 Ca 0.57 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.33 1r5i h LEU 118 Cb 0.93 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1r5i h LEU 118 CO -0.36 -0.09 0.62 0.28 -0.34 0.00 0.00 178.44 178.55 1r5i h SER 119 N -0.13 1.06 0.25 1.25 0.02 0.36 -1.83 113.55 114.53 1r5i h SER 119 Ca 0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1r5i h SER 119 Cb 0.12 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1r5i h SER 119 CO -0.02 0.75 -0.12 0.22 -1.14 0.00 0.00 176.83 176.52 1r5i h TYR 120 N 1.24 -0.31 -0.19 3.45 3.20 -0.56 -0.42 116.97 123.37 1r5i h TYR 120 Ca 0.35 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.22 1r5i h TYR 120 Cb -0.10 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1r5i h TYR 120 CO -0.00 -0.12 0.13 0.74 -1.64 0.00 0.00 178.16 177.27 1r5i h PHE 121 N -0.44 0.23 -0.29 -3.82 0.05 -0.99 -1.18 116.94 110.50 1r5i h PHE 121 Ca -0.03 0.01 -0.15 0.00 3.82 0.00 0.00 57.97 61.61 1r5i h PHE 121 Cb 0.33 -0.08 -0.00 0.00 2.00 0.00 0.00 35.95 38.20 1r5i h PHE 121 CO -0.03 0.14 -0.42 0.82 -0.18 0.00 0.00 178.31 178.64 1r5i h ILE 122 N 0.24 1.29 0.00 -0.55 2.04 -1.09 -2.63 117.51 116.82 1r5i h ILE 122 Ca 0.07 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 1r5i h ILE 122 Cb 0.00 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1r5i h ILE 122 CO -0.02 0.52 -0.11 0.77 0.00 0.00 0.00 178.15 179.32 1r5i h SER 123 N 0.56 0.00 0.33 1.72 4.64 0.08 -1.76 113.55 119.11 1r5i h SER 123 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1r5i h SER 123 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1r5i h SER 123 CO 0.10 0.11 -0.22 0.00 -0.87 0.00 0.00 176.83 175.94 1r5i n GLN 124 N -4.12 0.68 -3.55 4.77 1.13 -0.67 -4.46 117.38 111.16 1r5i n GLN 124 Ca -0.02 -0.34 -0.32 0.00 -1.94 0.00 0.00 57.00 54.37 1r5i n GLN 124 Cb 0.19 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.97 1r5i n GLN 124 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1r5i n ASN 125 N -0.86 4.10 -0.23 1.08 2.85 -0.66 -4.92 115.26 116.61 1r5i n ASN 125 Ca 0.12 -3.28 0.02 0.00 -0.11 0.00 0.00 54.58 51.33 1r5i n ASN 125 Cb 0.32 -0.90 0.11 0.00 1.24 0.00 0.00 39.78 40.55 1r5i n ASN 125 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1r5i h LYS 126 N 5.24 0.07 -0.52 1.20 3.11 -1.78 -1.62 116.57 122.27 1r5i h LYS 126 Ca 0.18 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.05 1r5i h LYS 126 Cb 0.73 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.90 1r5i h LYS 126 CO 0.88 0.05 0.29 -0.97 -2.81 0.00 0.00 179.45 176.88 1r5i h ASN 127 N 0.07 0.44 -0.86 4.20 -0.73 -1.94 -1.79 115.58 114.97 1r5i h ASN 127 Ca 0.36 0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.57 1r5i h ASN 127 Cb 0.59 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.06 1r5i h ASN 127 CO -0.63 0.30 0.56 0.15 -0.37 0.00 0.00 177.43 177.45 1r5i h PHE 128 N 0.56 1.06 -0.40 0.67 3.57 -1.68 -1.01 116.94 119.72 1r5i h PHE 128 Ca 0.22 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1r5i h PHE 128 Cb 0.09 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1r5i h PHE 128 CO -0.08 0.64 0.21 1.96 -2.23 0.00 0.00 178.31 178.80 1r5i h GLN 129 N 1.12 0.41 -0.31 1.11 4.20 -0.89 0.10 115.11 120.84 1r5i h GLN 129 Ca 0.33 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1r5i h GLN 129 Cb -0.06 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1r5i h GLN 129 CO -0.10 0.27 0.19 0.93 -0.67 0.00 0.00 178.83 179.45 1r5i h GLU 130 N 0.42 0.43 -0.27 1.46 5.08 -0.70 -0.08 114.58 120.92 1r5i h GLU 130 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1r5i h GLU 130 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1r5i h GLU 130 CO -0.11 0.34 0.14 -0.07 -1.00 0.00 0.00 179.01 178.31 1r5i h LEU 131 N 0.40 0.35 0.00 1.33 3.38 -0.82 -0.91 115.31 119.05 1r5i h LEU 131 Ca 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1r5i h LEU 131 Cb 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1r5i h LEU 131 CO -0.02 0.36 -0.03 -0.25 0.09 0.00 0.00 178.44 178.59 1r5i h TRP 132 N 0.31 -0.08 -0.76 1.13 7.01 -0.62 -0.85 115.95 122.09 1r5i h TRP 132 Ca 0.09 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.20 1r5i h TRP 132 Cb 0.10 0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.12 1r5i h TRP 132 CO -0.02 -0.05 0.38 -0.44 -2.79 0.00 0.00 178.44 175.51 1r5i h ASP 133 N -0.06 0.48 -0.81 2.65 3.45 -0.88 -1.04 116.42 120.20 1r5i h ASP 133 Ca 0.01 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1r5i h ASP 133 Cb 0.08 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 1r5i h ASP 133 CO -0.03 0.25 0.53 0.50 -1.57 0.00 0.00 179.24 178.92 1r5i h LYS 134 N 0.61 1.08 -0.85 3.56 3.64 -0.46 0.71 116.57 124.85 1r5i h LYS 134 Ca 0.38 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 1r5i h LYS 134 Cb 0.45 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1r5i h LYS 134 CO -0.30 0.72 0.56 0.00 -2.27 0.00 0.00 179.45 178.16 1r5i h ALA 135 N 1.29 1.54 -0.06 5.00 0.00 0.12 -0.92 119.26 126.23 1r5i h ALA 135 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1r5i h ALA 135 Cb -0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1r5i h ALA 135 CO -0.06 0.35 -0.02 0.28 0.00 0.00 0.00 179.25 179.79 1r5i h VAL 136 N 0.98 1.32 -0.41 0.00 2.07 -0.65 -2.19 116.25 117.37 1r5i h VAL 136 Ca 0.36 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1r5i h VAL 136 Cb 0.16 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 1r5i h VAL 136 CO -0.12 0.27 -0.36 0.50 0.02 0.00 0.00 177.57 177.88 1r5i h LYS 137 N -0.26 -0.26 -0.61 1.57 3.64 0.07 -0.81 116.57 119.91 1r5i h LYS 137 Ca 0.01 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1r5i h LYS 137 Cb 0.44 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1r5i h LYS 137 CO 0.01 -0.17 0.10 -0.07 -2.27 0.00 0.00 179.45 177.05 1r5i h LEU 138 N -0.27 0.93 -1.24 5.20 3.38 -1.23 -2.36 115.31 119.71 1r5i h LEU 138 Ca 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1r5i h LEU 138 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1r5i h LEU 138 CO -0.56 0.93 0.14 0.74 0.09 0.00 0.00 178.44 179.77 1r5i h THR 139 N 0.92 1.19 -0.31 0.22 2.02 -0.68 0.12 112.91 116.39 1r5i h THR 139 Ca 0.19 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 1r5i h THR 139 Cb 0.39 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1r5i h THR 139 CO 0.01 0.24 -0.00 0.11 0.37 0.00 0.00 175.52 176.25 1r5i h LYS 140 N 0.65 0.55 -0.57 6.66 1.57 -0.82 0.85 116.57 125.46 1r5i h LYS 140 Ca 0.15 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1r5i h LYS 140 Cb 0.20 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1r5i h LYS 140 CO -0.01 0.69 0.29 0.93 -0.57 0.00 0.00 179.45 180.78 1r5i h GLU 141 N 0.34 0.54 0.00 3.15 5.08 -0.84 0.37 114.58 123.22 1r5i h GLU 141 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1r5i h GLU 141 Cb 0.44 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1r5i h GLU 141 CO 0.02 0.36 -0.12 1.98 -1.00 0.00 0.00 179.01 180.24 1r5i h MET 142 N 0.56 0.00 -0.80 2.33 4.05 -0.43 -0.13 114.93 120.51 1r5i h MET 142 Ca 0.25 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.64 1r5i h MET 142 Cb 0.16 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1r5i h MET 142 CO -0.17 0.12 0.38 -0.22 0.23 0.00 0.00 176.91 177.25 1r5i h LYS 143 N 0.00 1.15 0.01 0.39 3.64 0.14 -1.95 116.57 119.95 1r5i h LYS 143 Ca -0.00 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1r5i h LYS 143 Cb 0.30 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1r5i h LYS 143 CO 0.02 0.89 -0.00 0.82 -2.27 0.00 0.00 179.45 178.90 1r5i h ILE 144 N 1.14 0.54 -1.05 2.00 2.04 -1.08 -3.34 117.51 117.75 1r5i h ILE 144 Ca 0.27 -1.39 0.38 0.00 1.00 0.00 0.00 64.86 65.12 1r5i h ILE 144 Cb 0.12 1.02 -0.16 0.00 -0.74 0.00 0.00 36.82 37.06 1r5i h ILE 144 CO -0.03 0.18 0.61 0.11 0.00 0.00 0.00 178.15 179.01 1r5i h LYS 145 N -1.00 0.16 -0.58 2.37 1.79 -1.05 0.70 116.57 118.97 1r5i h LYS 145 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1r5i h LYS 145 Cb 0.31 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1r5i h LYS 145 CO 0.00 0.10 0.00 1.28 -1.08 0.00 0.00 179.45 179.76 1r5i n LEU 146 N -5.07 2.29 -0.36 2.94 4.77 -0.74 -4.67 117.00 116.17 1r5i n LEU 146 Ca 0.35 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1r5i n LEU 146 Cb 1.17 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.93 1r5i n LEU 146 CO 0.08 0.40 0.61 0.50 -1.33 0.00 0.00 177.39 177.65 1r5i h LYS 147 N 1.69 -0.01 -0.30 3.23 1.63 0.31 -3.06 116.57 120.05 1r5i h LYS 147 Ca 0.00 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.56 1r5i h LYS 147 Cb 0.77 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.12 1r5i h LYS 147 CO 0.10 -0.01 -0.82 0.41 -3.45 0.00 0.00 179.45 175.69 1r5i n GLY 148 N -1.50 4.05 3.90 5.01 0.00 -1.26 -5.07 105.19 110.32 1r5i n GLY 148 Ca 0.11 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1r5i n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r5i s GLN 149 N -2.80 3.64 0.05 1.61 -1.52 -1.16 -5.05 119.66 114.44 1r5i s GLN 149 Ca 0.39 -0.04 -0.31 0.00 -1.95 0.00 0.00 55.36 53.46 1r5i s GLN 149 Cb 0.38 -2.80 -0.07 0.00 -0.22 0.00 0.00 33.01 30.30 1r5i s GLN 149 CO -0.05 0.42 1.41 0.15 -0.25 0.00 0.00 175.29 176.97 1r5i s LYS 150 N -2.79 4.29 -0.66 2.91 1.02 -1.26 -4.96 119.74 118.29 1r5i s LYS 150 Ca 0.42 2.03 0.05 0.00 0.02 0.00 0.00 55.97 58.49 1r5i s LYS 150 Cb -0.12 -3.45 0.17 0.00 -0.52 0.00 0.00 37.83 33.91 1r5i s LYS 150 CO 0.25 -0.53 0.46 -0.51 -0.92 0.00 0.00 175.35 174.09 1r5i s LEU 151 N 1.89 4.40 -0.76 3.17 1.43 -1.26 -5.01 118.68 122.54 1r5i s LEU 151 Ca 0.65 -3.69 -0.20 0.00 -1.03 0.00 0.00 54.13 49.86 1r5i s LEU 151 Cb -0.34 -1.50 0.11 0.00 0.03 0.00 0.00 46.19 44.49 1r5i s LEU 151 CO 0.29 -0.11 0.95 -0.62 0.23 0.00 0.00 176.35 177.09 1r5i s ASP 152 N -1.18 6.40 -0.06 2.29 -1.08 -1.26 -4.83 116.67 116.95 1r5i s ASP 152 Ca 0.25 -1.64 0.20 0.00 -0.52 0.00 0.00 52.55 50.83 1r5i s ASP 152 Cb -0.06 -2.37 0.68 0.00 -1.46 0.00 0.00 42.92 39.72 1r5i s ASP 152 CO -0.15 -1.15 1.58 0.18 0.52 0.00 0.00 175.17 176.15 1r5i n LEU 153 N 6.64 4.33 -0.36 -1.34 4.77 -1.26 -4.54 117.00 125.25 1r5i n LEU 153 Ca 0.07 -2.18 0.08 0.00 -0.03 0.00 0.00 56.01 53.95 1r5i n LEU 153 Cb 0.46 -0.54 0.25 0.00 -2.33 0.00 0.00 43.42 41.27 1r5i n LEU 153 CO 0.55 0.87 1.23 0.03 -1.33 0.00 0.00 177.39 178.74 1r5i h ARG 154 N 4.11 0.94 -0.58 3.23 3.08 -2.04 -1.49 114.38 121.63 1r5i h ARG 154 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1r5i h ARG 154 Cb 1.23 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1r5i h ARG 154 CO 0.13 0.62 0.00 -0.40 -1.07 0.00 0.00 179.97 179.26 1r5i n ASP 155 N -4.63 3.17 -1.28 7.04 3.85 -1.26 -4.94 116.55 118.50 1r5i n ASP 155 Ca 0.19 -2.04 -0.16 0.00 -0.71 0.00 0.00 54.79 52.07 1r5i n ASP 155 Cb 0.38 -0.40 -0.07 0.00 -1.35 0.00 0.00 41.12 39.68 1r5i n ASP 155 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1r5i n GLY 156 N 1.36 1.55 0.04 6.12 0.00 -0.56 -4.84 105.19 108.86 1r5i n GLY 156 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1r5i n GLY 156 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r5i n GLU 157 N -1.70 0.87 -0.03 1.61 -0.58 -1.26 -4.56 120.64 114.98 1r5i n GLU 157 Ca -0.16 -0.10 -0.10 0.00 -0.42 0.00 0.00 57.16 56.38 1r5i n GLU 157 Cb 0.63 -1.41 0.06 0.00 -0.57 0.00 0.00 31.44 30.14 1r5i n GLU 157 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1r5i h VAL 158 N 0.00 1.30 -0.00 2.62 2.07 -1.88 -3.08 116.25 117.27 1r5i h VAL 158 Ca -0.18 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 65.74 1r5i h VAL 158 Cb 1.28 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1r5i h VAL 158 CO 0.01 0.52 -0.18 0.00 0.02 0.00 0.00 177.57 177.94 1r5i h ALA 159 N 0.97 -0.22 -0.81 1.67 0.00 -1.90 -0.00 119.26 118.97 1r5i h ALA 159 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1r5i h ALA 159 Cb 0.98 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1r5i h ALA 159 CO 0.09 -0.67 0.35 0.82 0.00 0.00 0.00 179.25 179.84 1r5i h ILE 160 N -0.29 1.26 -0.73 0.00 5.03 -1.82 -1.99 117.51 118.97 1r5i h ILE 160 Ca 0.06 -0.78 -0.03 0.00 -0.12 0.00 0.00 64.86 63.98 1r5i h ILE 160 Cb 0.36 0.26 -0.03 0.00 -3.03 0.00 0.00 36.82 34.38 1r5i h ILE 160 CO -0.17 0.33 0.32 0.78 -0.68 0.00 0.00 178.15 178.73 1r5i h ASN 161 N 1.17 0.98 -0.64 1.72 -0.26 -1.38 0.05 115.58 117.23 1r5i h ASN 161 Ca 0.28 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 1r5i h ASN 161 Cb 0.18 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 1r5i h ASN 161 CO -0.03 0.86 0.31 0.11 -1.06 0.00 0.00 177.43 177.62 1r5i h LYS 162 N 1.03 0.91 -0.72 0.81 1.79 -0.68 -0.19 116.57 119.52 1r5i h LYS 162 Ca 0.25 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1r5i h LYS 162 Cb 0.17 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1r5i h LYS 162 CO -0.03 0.73 0.35 0.28 -1.08 0.00 0.00 179.45 179.70 1r5i h VAL 163 N 0.87 1.23 -0.22 0.50 2.07 -0.84 -1.17 116.25 118.70 1r5i h VAL 163 Ca 0.22 -0.63 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 1r5i h VAL 163 Cb 0.11 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1r5i h VAL 163 CO -0.03 0.27 -0.44 0.03 0.02 0.00 0.00 177.57 177.42 1r5i h ARG 164 N 1.02 0.54 0.46 1.57 2.47 -0.39 0.68 114.38 120.73 1r5i h ARG 164 Ca 0.25 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1r5i h ARG 164 Cb 0.09 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1r5i h ARG 164 CO -0.03 0.87 -0.22 0.93 0.56 0.00 0.00 179.97 182.08 1r5i h GLU 165 N 0.44 -0.59 -0.21 0.04 5.08 -0.51 -0.26 114.58 118.56 1r5i h GLU 165 Ca 0.03 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1r5i h GLU 165 Cb 0.94 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1r5i h GLU 165 CO 0.08 -0.39 0.05 -0.07 -1.00 0.00 0.00 179.01 177.68 1r5i h LEU 166 N -0.87 0.31 -0.43 1.33 3.38 -1.32 -3.38 115.31 114.33 1r5i h LEU 166 Ca -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1r5i h LEU 166 Cb 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1r5i h LEU 166 CO 0.10 0.46 0.00 0.49 0.09 0.00 0.00 178.44 179.58 1r5i n PHE 167 N -4.77 0.00 -1.66 1.13 3.01 -0.39 -4.93 117.46 109.85 1r5i n PHE 167 Ca -0.04 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.26 1r5i n PHE 167 Cb 0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 1r5i n PHE 167 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1r5i s GLY 168 N -0.48 -0.67 0.00 1.37 0.00 0.09 -0.27 107.32 107.36 1r5i s GLY 168 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1r5i s GLY 168 CO 0.00 4.10 0.00 -1.26 0.00 0.00 0.00 173.10 175.94 1r5i n SER 169 N 17.92 0.00 -4.70 1.64 2.88 -1.26 -4.81 113.62 125.29 1r5i n SER 169 Ca 0.45 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.57 1r5i n SER 169 Cb 0.44 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 1r5i n SER 169 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r5i s ASP 170 N 0.00 6.90 0.23 -3.46 -1.08 0.63 -4.91 116.67 114.97 1r5i s ASP 170 Ca 0.00 2.11 -0.15 0.00 -0.52 0.00 0.00 52.55 53.99 1r5i s ASP 170 Cb 0.00 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 39.16 1r5i s ASP 170 CO 0.00 -0.66 1.47 1.17 0.52 0.00 0.00 175.17 177.67 1r5i n LYS 171 N 4.87 -0.20 -0.16 4.34 4.81 -1.26 -0.50 118.16 130.06 1r5i n LYS 171 Ca 0.12 1.46 -0.04 0.00 -0.87 0.00 0.00 58.31 58.98 1r5i n LYS 171 Cb 0.44 -2.17 0.16 0.00 0.02 0.00 0.00 35.03 33.49 1r5i n LYS 171 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1r5i h ASN 172 N 0.00 0.84 0.36 3.14 2.35 -1.96 -0.11 115.58 120.20 1r5i h ASN 172 Ca 0.35 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1r5i h ASN 172 Cb 0.59 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1r5i h ASN 172 CO -0.94 0.81 -0.36 0.58 -1.65 0.00 0.00 177.43 175.87 1r5i h VAL 173 N 0.87 1.24 0.13 2.81 2.07 -1.09 -0.52 116.25 121.76 1r5i h VAL 173 Ca 0.19 -1.22 -0.32 0.00 0.82 0.00 0.00 66.70 66.17 1r5i h VAL 173 Cb 0.29 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1r5i h VAL 173 CO -0.00 0.35 -1.61 0.11 0.02 0.00 0.00 177.57 176.43 1r5i h LYS 174 N 0.00 0.27 0.06 1.57 1.57 -0.98 -3.41 116.57 115.65 1r5i h LYS 174 Ca -0.00 -0.46 -0.33 0.00 -1.87 0.00 0.00 60.65 57.99 1r5i h LYS 174 Cb 0.63 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1r5i h LYS 174 CO 0.05 1.13 -1.84 0.39 -0.57 0.00 0.00 179.45 178.61 1r5i n GLU 175 N -3.46 0.69 -3.65 3.15 1.02 -0.09 -4.86 120.64 113.44 1r5i n GLU 175 Ca -0.19 0.28 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 1r5i n GLU 175 Cb 1.05 -1.76 -0.11 0.00 -0.02 0.00 0.00 31.44 30.60 1r5i n GLU 175 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1r5i s LEU 176 N -6.52 4.77 0.22 -4.62 1.43 -0.21 -4.97 118.68 108.78 1r5i s LEU 176 Ca -0.13 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.66 1r5i s LEU 176 Cb 0.07 -1.96 0.31 0.00 0.03 0.00 0.00 46.19 44.64 1r5i s LEU 176 CO 0.80 -0.43 1.80 -0.25 0.23 0.00 0.00 176.35 178.50 1r5i h TRP 177 N 8.35 0.71 -0.66 0.29 7.01 -1.88 -1.63 115.95 128.14 1r5i h TRP 177 Ca -0.24 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.79 1r5i h TRP 177 Cb 1.09 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.90 1r5i h TRP 177 CO 0.59 0.30 0.41 0.11 -2.79 0.00 0.00 178.44 177.07 1r5i h TRP 178 N 0.69 0.86 0.81 2.65 5.08 -1.94 0.61 115.95 124.70 1r5i h TRP 178 Ca 0.34 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.27 1r5i h TRP 178 Cb 0.28 -0.29 0.01 0.00 -3.00 0.00 0.00 29.16 26.16 1r5i h TRP 178 CO -0.08 0.57 -0.40 0.35 -1.28 0.00 0.00 178.44 177.60 1r5i h PHE 179 N 0.90 -1.04 -0.53 0.12 3.04 -1.69 -0.17 116.94 117.57 1r5i h PHE 179 Ca 0.24 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.27 1r5i h PHE 179 Cb -0.05 0.35 -0.09 0.00 2.56 0.00 0.00 35.95 38.72 1r5i h PHE 179 CO -0.02 -0.64 -0.04 -0.09 -2.02 0.00 0.00 178.31 175.50 1r5i h ARG 180 N -1.10 0.08 -0.93 1.11 2.43 -1.21 0.41 114.38 115.17 1r5i h ARG 180 Ca -0.11 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1r5i h ARG 180 Cb 0.85 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 1r5i h ARG 180 CO 0.17 0.05 0.60 0.77 -1.51 0.00 0.00 179.97 180.06 1r5i h SER 181 N 0.08 0.89 -0.54 -3.80 0.02 -0.65 -0.20 113.55 109.34 1r5i h SER 181 Ca 0.27 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 1r5i h SER 181 Cb 0.41 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1r5i h SER 181 CO -0.47 0.54 0.29 0.25 -1.14 0.00 0.00 176.83 176.30 1r5i h LEU 182 N 0.99 0.43 -0.59 5.07 5.85 0.98 0.31 115.31 128.35 1r5i h LEU 182 Ca 0.42 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 59.05 1r5i h LEU 182 Cb 0.32 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1r5i h LEU 182 CO -0.18 0.30 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.01 1r5i h LEU 183 N 0.56 0.99 -0.36 2.25 4.07 -0.81 0.36 115.31 122.38 1r5i h LEU 183 Ca 0.24 -0.34 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1r5i h LEU 183 Cb 0.12 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1r5i h LEU 183 CO -0.15 1.12 0.09 0.58 -1.08 0.00 0.00 178.44 179.00 1r5i h VAL 184 N 0.86 1.22 -0.80 1.22 2.07 -0.58 -1.31 116.25 118.93 1r5i h VAL 184 Ca 0.13 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.99 1r5i h VAL 184 Cb 0.70 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1r5i h VAL 184 CO 0.05 0.25 0.48 0.50 0.02 0.00 0.00 177.57 178.87 1r5i h LYS 185 N 0.42 0.83 -0.55 1.57 3.64 -0.22 -2.41 116.57 119.85 1r5i h LYS 185 Ca 0.11 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1r5i h LYS 185 Cb 0.29 -0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.82 1r5i h LYS 185 CO -0.00 0.55 -0.05 0.78 -2.27 0.00 0.00 179.45 178.46 1r5i h GLY 186 N 0.86 0.52 1.28 5.01 0.00 0.21 -2.04 103.07 108.90 1r5i h GLY 186 Ca 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1r5i h GLY 186 CO -0.19 -0.19 0.32 -0.39 0.00 0.00 0.00 176.54 176.09 1r5i h VAL 187 N 0.07 1.21 -0.25 4.60 -1.51 -0.87 0.32 116.25 119.82 1r5i h VAL 187 Ca 0.28 -0.59 -0.03 0.00 -1.23 0.00 0.00 66.70 65.13 1r5i h VAL 187 Cb 0.44 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 1r5i h VAL 187 CO -0.51 0.25 0.03 1.88 -1.23 0.00 0.00 177.57 178.00 1r5i h TYR 188 N 0.93 0.36 0.14 5.19 -1.99 -1.36 0.15 116.97 120.39 1r5i h TYR 188 Ca 0.23 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 1r5i h TYR 188 Cb 0.09 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1r5i h TYR 188 CO 0.01 0.34 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.38 1r5i h LEU 189 N 0.35 -0.16 -0.45 3.88 3.38 -0.65 -2.15 115.31 119.50 1r5i h LEU 189 Ca 0.08 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.81 1r5i h LEU 189 Cb 0.19 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 1r5i h LEU 189 CO 0.00 0.29 -0.12 0.40 0.09 0.00 0.00 178.44 179.10 1r5i h ILE 190 N -0.65 0.54 -0.33 1.22 1.08 0.14 0.17 117.51 119.67 1r5i h ILE 190 Ca -0.02 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 1r5i h ILE 190 Cb 0.49 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1r5i h ILE 190 CO 0.03 0.00 -0.11 0.50 -0.69 0.00 0.00 178.15 177.88 1r5i h LYS 191 N -0.01 -0.04 -0.52 2.37 1.63 -0.69 0.99 116.57 120.30 1r5i h LYS 191 Ca 0.22 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1r5i h LYS 191 Cb 0.34 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1r5i h LYS 191 CO -0.47 -0.02 0.34 0.00 -3.45 0.00 0.00 179.45 175.85 1r5i h ARG 192 N -0.04 0.61 0.18 1.90 3.08 -0.48 -1.58 114.38 118.05 1r5i h ARG 192 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1r5i h ARG 192 Cb 0.29 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1r5i h ARG 192 CO -0.36 0.40 -0.09 -0.92 -1.07 0.00 0.00 179.97 177.93 1r5i h TYR 193 N 0.63 -0.23 -0.06 3.04 3.20 0.16 -0.75 116.97 122.96 1r5i h TYR 193 Ca 0.20 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1r5i h TYR 193 Cb 0.04 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1r5i h TYR 193 CO -0.00 -0.01 -0.06 1.88 -1.64 0.00 0.00 178.16 178.32 1r5i h TYR 194 N -0.41 0.09 0.00 -3.82 0.99 -0.61 0.93 116.97 114.14 1r5i h TYR 194 Ca -0.03 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1r5i h TYR 194 Cb 0.32 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.02 1r5i h TYR 194 CO -0.02 0.16 0.00 0.39 -0.00 0.00 0.00 178.16 178.69 1r5i n GLU 195 N -4.41 0.25 -0.40 4.88 1.02 -0.63 -4.88 120.64 116.46 1r5i n GLU 195 Ca -0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1r5i n GLU 195 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1r5i n GLU 195 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r5i n GLY 196 N 0.65 1.01 3.74 0.62 0.00 0.32 -5.06 105.19 106.48 1r5i n GLY 196 Ca 0.09 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1r5i n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r5i s ASP 197 N -2.31 6.89 -0.08 1.61 -1.08 -0.31 -4.93 116.67 116.46 1r5i s ASP 197 Ca 0.00 2.44 0.17 0.00 -0.52 0.00 0.00 52.55 54.64 1r5i s ASP 197 Cb 0.00 -2.62 -0.25 0.00 -1.46 0.00 0.00 42.92 38.59 1r5i s ASP 197 CO 0.00 -0.52 0.26 2.30 0.52 0.00 0.00 175.17 177.73 1r5i n ILE 198 N 2.36 0.47 0.16 4.11 -5.35 -1.26 -4.52 119.36 115.33 1r5i n ILE 198 Ca 0.05 -0.54 0.01 0.00 -0.27 0.00 0.00 62.75 62.01 1r5i n ILE 198 Cb 0.43 -0.17 0.24 0.00 -1.74 0.00 0.00 39.64 38.39 1r5i n ILE 198 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r5i h GLU 199 N 0.00 0.00 0.00 6.28 4.39 -1.99 -3.40 114.58 119.85 1r5i h GLU 199 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1r5i h GLU 199 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1r5i h GLU 199 CO 0.01 0.51 0.00 1.28 -1.16 0.00 0.00 179.01 179.65 1r5i n LEU 200 N -3.72 0.00 0.18 1.33 4.32 -1.26 -0.15 117.00 117.70 1r5i n LEU 200 Ca -0.01 0.00 0.16 0.00 -0.02 0.00 0.00 56.01 56.14 1r5i n LEU 200 Cb 0.56 0.00 0.77 0.00 -1.62 0.00 0.00 43.42 43.13 1r5i n LEU 200 CO 0.40 0.00 1.14 0.11 -1.22 0.00 0.00 177.39 177.82 1r5i h LYS 201 N 0.00 0.00 -0.00 3.23 1.57 -1.83 0.41 116.57 119.95 1r5i h LYS 201 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r5i h LYS 201 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r5i h LYS 201 CO 0.00 0.00 -0.25 0.25 -0.57 0.00 0.00 179.45 178.88 1r5i n THR 202 N -4.08 0.00 -0.15 -0.16 -2.24 0.79 -3.78 114.28 104.67 1r5i n THR 202 Ca 0.02 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1r5i n THR 202 Cb 0.32 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1r5i n THR 202 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1r5i h THR 203 N 0.44 1.18 -1.66 4.28 2.02 -0.96 -3.47 112.91 114.72 1r5i h THR 203 Ca 0.00 -0.48 0.18 0.00 0.77 0.00 0.00 66.41 66.87 1r5i h THR 203 Cb 0.46 0.68 -0.20 0.00 -1.74 0.00 0.00 68.15 67.36 1r5i h THR 203 CO 0.00 0.19 0.69 -0.94 0.37 0.00 0.00 175.52 175.83 1r5i s SER 204 N -5.80 -0.24 0.36 4.18 1.04 -1.26 -4.97 113.70 107.02 1r5i s SER 204 Ca -0.13 0.09 0.13 0.00 0.48 0.00 0.00 55.95 56.52 1r5i s SER 204 Cb 0.11 0.23 0.94 0.00 0.10 0.00 0.00 66.02 67.40 1r5i s SER 204 CO 0.75 -0.34 1.80 0.44 0.98 0.00 0.00 173.24 176.87 1r5i h ASP 205 N 2.12 0.58 0.36 7.02 5.19 -1.91 0.33 116.42 130.12 1r5i h ASP 205 Ca -0.14 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1r5i h ASP 205 Cb 1.19 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1r5i h ASP 205 CO 0.27 0.19 -0.17 0.15 -3.12 0.00 0.00 179.24 176.55 1r5i h PHE 206 N 0.56 -0.45 -0.98 4.55 3.57 -1.94 -0.32 116.94 121.93 1r5i h PHE 206 Ca 0.55 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.17 1r5i h PHE 206 Cb 1.15 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.95 1r5i h PHE 206 CO -0.00 -0.13 0.61 0.00 -2.23 0.00 0.00 178.31 176.56 1r5i h ALA 207 N -0.28 1.50 -0.00 2.41 0.00 -1.43 -0.56 119.26 120.89 1r5i h ALA 207 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r5i h ALA 207 Cb 0.52 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1r5i h ALA 207 CO 0.08 0.18 0.00 -0.22 0.00 0.00 0.00 179.25 179.29 1r5i h LYS 208 N 0.94 0.00 -0.63 0.00 3.64 -0.26 -1.75 116.57 118.51 1r5i h LYS 208 Ca 0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1r5i h LYS 208 Cb 0.53 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1r5i h LYS 208 CO -0.28 0.04 0.41 0.00 -2.27 0.00 0.00 179.45 177.35 1r5i h ALA 209 N 0.96 1.53 0.01 5.00 0.00 0.24 -1.58 119.26 125.43 1r5i h ALA 209 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r5i h ALA 209 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1r5i h ALA 209 CO -0.00 0.43 -0.01 0.28 0.00 0.00 0.00 179.25 179.95 1r5i h VAL 210 N 0.86 1.47 -0.49 0.00 2.07 -0.95 -3.30 116.25 115.90 1r5i h VAL 210 Ca 0.23 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 1r5i h VAL 210 Cb -0.08 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 1r5i h VAL 210 CO -0.05 0.38 0.15 0.49 0.02 0.00 0.00 177.57 178.56 1r5i n PHE 211 N -4.79 1.67 -3.45 1.57 3.01 -0.67 -4.69 117.46 110.11 1r5i n PHE 211 Ca -0.09 -0.80 -0.43 0.00 1.01 0.00 0.00 57.45 57.14 1r5i n PHE 211 Cb 0.32 -0.50 -0.04 0.00 -0.01 0.00 0.00 39.48 39.25 1r5i n PHE 211 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1r5i s GLU 212 N -2.24 3.42 0.00 -1.08 2.12 -0.60 -4.99 118.70 115.33 1r5i s GLU 212 Ca 0.38 -2.66 0.00 0.00 0.36 0.00 0.00 54.97 53.06 1r5i s GLU 212 Cb 0.30 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.45 1r5i s GLU 212 CO 0.10 -1.25 0.00 -3.47 -0.54 0.00 0.00 175.26 170.09