#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9i s TYR 2 N 0.00 3.47 0.25 2.03 2.02 -1.26 -5.02 117.35 118.84 2c9i s TYR 2 Ca 0.00 -2.23 -0.05 0.00 -0.37 0.00 0.00 57.07 54.42 2c9i s TYR 2 Cb 0.00 -2.73 0.30 0.00 -0.40 0.00 0.00 41.96 39.14 2c9i s TYR 2 CO 0.00 -0.90 1.90 -1.35 -1.57 0.00 0.00 175.55 173.63 2c9i h PRO 3 N 7.99 1.19 -0.00 -1.71 0.11 -2.04 -3.04 132.00 134.50 2c9i h PRO 3 Ca -0.16 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2c9i h PRO 3 Cb 1.05 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2c9i h PRO 3 CO 0.61 0.79 -0.52 -1.13 -0.21 0.00 0.00 178.00 177.54 2c9i n SER 4 N -4.47 0.86 -4.41 -2.05 3.41 -1.26 -4.74 113.62 100.96 2c9i n SER 4 Ca 0.13 -0.66 -0.44 0.00 -0.26 0.00 0.00 58.87 57.64 2c9i n SER 4 Cb 0.08 0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2c9i n SER 4 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2c9i s ILE 5 N -2.82 5.24 0.79 -1.33 1.01 -1.15 -4.89 121.20 118.05 2c9i s ILE 5 Ca 0.15 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2c9i s ILE 5 Cb 0.18 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.70 2c9i s ILE 5 CO 0.67 -0.49 1.12 -0.54 0.00 0.00 0.00 174.94 175.70 2c9i s LYS 6 N 1.67 1.63 0.38 2.79 -0.14 -1.26 -4.87 119.74 119.93 2c9i s LYS 6 Ca 0.04 -0.42 0.06 0.00 -1.36 0.00 0.00 55.97 54.29 2c9i s LYS 6 Cb -0.22 -2.08 0.75 0.00 -1.68 0.00 0.00 37.83 34.60 2c9i s LYS 6 CO 0.08 -1.65 1.99 0.93 -0.76 0.00 0.00 175.35 175.93 2c9i h GLU 7 N -0.93 0.54 -4.79 1.68 5.08 -1.97 -3.40 114.58 110.78 2c9i h GLU 7 Ca -0.43 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 57.29 2c9i h GLU 7 Cb 1.28 -0.11 -0.34 0.00 0.50 0.00 0.00 28.75 30.09 2c9i h GLU 7 CO 0.51 0.44 -0.84 0.99 -1.00 0.00 0.00 179.01 179.11 2c9i s THR 8 N -5.30 1.47 0.02 1.13 2.01 -1.26 -3.94 115.64 109.78 2c9i s THR 8 Ca -0.08 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2c9i s THR 8 Cb 0.17 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 2c9i s THR 8 CO 0.74 0.43 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.88 2c9i s MET 9 N 0.73 1.37 0.24 4.92 -1.94 -0.73 -4.98 119.30 118.90 2c9i s MET 9 Ca -0.12 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.03 2c9i s MET 9 Cb -0.16 -1.41 -0.04 0.00 2.01 0.00 0.00 34.83 35.23 2c9i s MET 9 CO 0.03 0.37 0.45 1.03 -0.01 0.00 0.00 175.02 176.88 2c9i s ARG 10 N -0.91 3.53 -0.06 2.03 0.52 -0.98 -1.30 118.95 121.79 2c9i s ARG 10 Ca 0.07 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2c9i s ARG 10 Cb -0.08 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2c9i s ARG 10 CO 0.01 0.32 -0.17 0.08 0.02 0.00 0.00 175.30 175.56 2c9i s VAL 11 N -1.99 1.49 -0.17 3.52 1.01 0.44 -0.29 120.40 124.40 2c9i s VAL 11 Ca 0.40 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2c9i s VAL 11 Cb -0.11 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.01 2c9i s VAL 11 CO 0.30 0.43 -0.15 -1.58 0.00 0.00 0.00 175.10 174.10 2c9i s GLN 12 N 0.20 2.46 0.02 2.72 0.74 -0.55 -1.52 119.66 123.73 2c9i s GLN 12 Ca -0.08 -0.72 0.06 0.00 0.05 0.00 0.00 55.36 54.67 2c9i s GLN 12 Cb -0.13 -2.32 -0.02 0.00 1.10 0.00 0.00 33.01 31.63 2c9i s GLN 12 CO 0.04 -0.27 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.15 2c9i s LEU 13 N 1.40 2.11 -0.05 3.68 0.20 0.08 -0.73 118.68 125.37 2c9i s LEU 13 Ca 0.03 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.45 2c9i s LEU 13 Cb -0.14 -0.90 0.01 0.00 -0.43 0.00 0.00 46.19 44.73 2c9i s LEU 13 CO -0.11 0.17 -0.09 -0.94 -0.29 0.00 0.00 176.35 175.10 2c9i s SER 14 N -0.83 1.33 -0.03 3.68 1.04 -0.29 -0.41 113.70 118.19 2c9i s SER 14 Ca 0.06 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.34 2c9i s SER 14 Cb -0.08 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.45 2c9i s SER 14 CO 0.01 0.01 -0.20 -0.32 0.98 0.00 0.00 173.24 173.71 2c9i s MET 15 N 0.67 1.86 0.02 4.02 0.00 0.13 -0.52 119.30 125.48 2c9i s MET 15 Ca -0.12 -0.71 0.01 0.00 0.00 0.00 0.00 55.69 54.87 2c9i s MET 15 Cb -0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 34.83 32.99 2c9i s MET 15 CO 0.02 0.35 -0.04 -1.83 0.00 0.00 0.00 175.02 173.52 2c9i s GLU 16 N -0.21 0.34 0.00 4.11 -1.05 -0.85 -0.20 118.70 120.83 2c9i s GLU 16 Ca 0.01 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 2c9i s GLU 16 Cb -0.10 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 2c9i s GLU 16 CO 0.01 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.62 2c9i n GLY 17 N 1.77 -0.51 3.40 -3.83 0.00 -0.94 -1.49 105.19 103.59 2c9i n GLY 17 Ca -0.22 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 2c9i n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9i s SER 18 N -4.00 -0.47 -0.05 1.61 1.04 -0.93 -1.08 113.70 109.81 2c9i s SER 18 Ca 0.00 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.13 2c9i s SER 18 Cb 0.00 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.83 2c9i s SER 18 CO 0.00 -0.38 -0.10 -0.69 0.98 0.00 0.00 173.24 173.05 2c9i s VAL 19 N -0.61 0.95 -1.04 5.02 1.01 -0.85 -0.71 120.40 124.17 2c9i s VAL 19 Ca -0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 2c9i s VAL 19 Cb -0.03 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2c9i s VAL 19 CO 0.04 0.31 0.65 0.59 0.00 0.00 0.00 175.10 176.70 2c9i n ASN 20 N 3.74 -4.56 0.00 3.32 5.03 -0.74 -1.51 115.26 120.54 2c9i n ASN 20 Ca -0.23 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.10 2c9i n ASN 20 Cb 0.52 -1.79 0.00 0.00 -1.02 0.00 0.00 39.78 37.49 2c9i n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2c9i n TYR 21 N -3.92 0.00 -3.78 3.10 4.02 -1.26 -4.97 117.16 110.34 2c9i n TYR 21 Ca -0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.32 2c9i n TYR 21 Cb 0.62 -0.55 -0.13 0.00 -0.02 0.00 0.00 39.34 39.27 2c9i n TYR 21 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2c9i s HIS 22 N -2.75 3.27 0.36 -0.72 2.46 -0.57 -5.09 115.29 112.25 2c9i s HIS 22 Ca 0.00 -1.57 -0.23 0.00 0.47 0.00 0.00 55.06 53.73 2c9i s HIS 22 Cb 0.00 -2.31 -0.10 0.00 -0.13 0.00 0.00 32.58 30.04 2c9i s HIS 22 CO 0.00 -0.76 0.92 0.00 -2.47 0.00 0.00 174.74 172.43 2c9i s ALA 23 N 1.36 3.17 0.19 1.58 0.00 -1.26 -2.00 121.76 124.79 2c9i s ALA 23 Ca -0.02 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 2c9i s ALA 23 Cb -0.20 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 19.85 2c9i s ALA 23 CO 0.02 0.18 0.59 -0.59 0.00 0.00 0.00 175.76 175.95 2c9i s PHE 24 N -1.84 -0.34 0.02 0.00 -0.12 -0.24 -4.24 117.98 111.21 2c9i s PHE 24 Ca 0.54 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 57.49 2c9i s PHE 24 Cb -0.14 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 2c9i s PHE 24 CO 0.19 -0.92 -0.08 0.15 -0.05 0.00 0.00 175.22 174.51 2c9i s LYS 25 N -3.82 0.55 0.04 1.99 1.02 -0.61 -2.20 119.74 116.71 2c9i s LYS 25 Ca 0.05 -0.52 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2c9i s LYS 25 Cb -0.02 -0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 2c9i s LYS 25 CO -0.07 0.10 -0.10 0.00 -0.92 0.00 0.00 175.35 174.37 2c9i s THR 27 N -1.07 1.76 -0.03 0.00 -4.23 -0.50 0.17 115.64 111.74 2c9i s THR 27 Ca -0.05 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 2c9i s THR 27 Cb -0.08 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 72.18 2c9i s THR 27 CO 0.01 -0.01 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.17 2c9i s GLY 28 N -1.83 0.50 -0.16 3.99 0.00 0.45 -1.21 107.32 109.07 2c9i s GLY 28 Ca 0.07 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.57 2c9i s GLY 28 CO 0.04 0.08 -0.21 0.54 0.00 0.00 0.00 173.10 173.56 2c9i s LYS 29 N 0.42 2.94 0.26 2.90 1.02 -0.52 -0.74 119.74 126.03 2c9i s LYS 29 Ca -0.06 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 2c9i s LYS 29 Cb -0.10 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 2c9i s LYS 29 CO 0.01 -0.11 0.33 0.20 -0.92 0.00 0.00 175.35 174.85 2c9i s GLY 30 N 1.05 1.32 0.07 -3.33 0.00 -0.57 -0.27 107.32 105.59 2c9i s GLY 30 Ca -0.01 -1.48 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 2c9i s GLY 30 CO -0.07 -1.10 0.15 -1.83 0.00 0.00 0.00 173.10 170.25 2c9i s GLU 31 N -3.76 0.76 0.25 2.90 1.03 -0.72 -0.42 118.70 118.74 2c9i s GLU 31 Ca 0.33 -0.92 -0.21 0.00 0.03 0.00 0.00 54.97 54.19 2c9i s GLU 31 Cb 0.03 0.31 0.04 0.00 -0.80 0.00 0.00 34.13 33.70 2c9i s GLU 31 CO 0.15 -0.22 0.83 0.20 -1.33 0.00 0.00 175.26 174.89 2c9i s GLY 32 N -2.67 -0.04 -0.43 -3.83 0.00 -0.42 -0.52 107.32 99.40 2c9i s GLY 32 Ca 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2c9i s GLY 32 CO -0.09 0.11 0.19 0.54 0.00 0.00 0.00 173.10 173.85 2c9i s LYS 33 N -3.32 1.90 0.36 2.90 -0.14 0.11 -1.78 119.74 119.77 2c9i s LYS 33 Ca 0.13 -2.07 0.05 0.00 -1.36 0.00 0.00 55.97 52.72 2c9i s LYS 33 Cb -0.04 -3.43 0.73 0.00 -1.68 0.00 0.00 37.83 33.40 2c9i s LYS 33 CO 0.06 -1.05 1.96 -1.35 -0.76 0.00 0.00 175.35 174.22 2c9i h PRO 34 N 7.51 0.75 0.00 -1.68 0.11 -1.78 0.13 132.00 137.03 2c9i h PRO 34 Ca -0.07 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 2c9i h PRO 34 Cb 1.00 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2c9i h PRO 34 CO 0.64 0.49 -1.06 1.88 -0.21 0.00 0.00 178.00 179.74 2c9i h TYR 35 N 0.77 0.00 0.00 0.65 -1.99 -1.83 -3.08 116.97 111.49 2c9i h TYR 35 Ca 0.31 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.98 2c9i h TYR 35 Cb 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2c9i h TYR 35 CO -0.00 0.52 -0.39 0.93 -0.00 0.00 0.00 178.16 179.22 2c9i h GLU 36 N 0.00 0.00 0.00 4.88 4.39 -1.78 -3.41 114.58 118.66 2c9i h GLU 36 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2c9i h GLU 36 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2c9i h GLU 36 CO 0.05 0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 2c9i n GLY 37 N 1.18 0.44 3.37 -3.84 0.00 0.42 -4.47 105.19 102.28 2c9i n GLY 37 Ca 0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 2c9i n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c9i s THR 38 N -2.00 2.20 0.04 2.61 -4.23 -0.97 -0.64 115.64 112.66 2c9i s THR 38 Ca 0.00 -1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 58.77 2c9i s THR 38 Cb 0.00 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.96 2c9i s THR 38 CO 0.00 0.23 0.37 0.00 -0.54 0.00 0.00 174.62 174.68 2c9i s GLN 39 N -1.65 0.88 0.01 3.99 -2.07 -0.47 0.04 119.66 120.39 2c9i s GLN 39 Ca 0.13 -0.42 0.03 0.00 -1.82 0.00 0.00 55.36 53.28 2c9i s GLN 39 Cb -0.10 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 2c9i s GLN 39 CO 0.04 -0.29 -0.09 0.45 -1.32 0.00 0.00 175.29 174.08 2c9i s SER 40 N -2.03 1.01 -0.04 12.60 0.15 0.32 -1.61 113.70 124.10 2c9i s SER 40 Ca -0.05 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 2c9i s SER 40 Cb -0.01 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 2c9i s SER 40 CO -0.03 0.03 0.02 -0.22 1.20 0.00 0.00 173.24 174.24 2c9i s LEU 41 N -0.60 0.77 -0.47 3.45 2.96 0.32 -1.75 118.68 123.37 2c9i s LEU 41 Ca 0.00 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.71 2c9i s LEU 41 Cb -0.05 -0.25 0.04 0.00 0.50 0.00 0.00 46.19 46.43 2c9i s LEU 41 CO 0.00 -0.16 0.60 0.20 -1.32 0.00 0.00 176.35 175.67 2c9i s ASN 42 N 1.54 6.25 -0.19 3.68 0.01 0.63 -1.04 114.94 125.83 2c9i s ASN 42 Ca -0.03 -0.65 -0.07 0.00 -0.71 0.00 0.00 52.86 51.40 2c9i s ASN 42 Cb -0.13 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 2c9i s ASN 42 CO -0.03 -0.79 0.06 -0.63 -1.51 0.00 0.00 177.10 174.20 2c9i s ILE 43 N 2.62 4.79 -0.10 0.60 1.01 -0.18 -1.44 121.20 128.49 2c9i s ILE 43 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2c9i s ILE 43 Cb -0.17 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.15 2c9i s ILE 43 CO 0.15 0.45 -0.20 0.28 0.00 0.00 0.00 174.94 175.62 2c9i s THR 44 N 0.42 1.79 -0.34 2.92 -1.32 -0.35 -1.13 115.64 117.64 2c9i s THR 44 Ca 0.03 -0.85 -0.29 0.00 -1.21 0.00 0.00 61.69 59.37 2c9i s THR 44 Cb -0.12 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.30 2c9i s THR 44 CO 0.00 0.50 1.20 -0.63 -2.21 0.00 0.00 174.62 173.49 2c9i s ILE 45 N 0.59 4.27 -0.17 5.08 1.01 -0.43 -1.41 121.20 130.14 2c9i s ILE 45 Ca -0.14 1.43 0.11 0.00 0.00 0.00 0.00 60.65 62.04 2c9i s ILE 45 Cb -0.17 -4.31 -0.23 0.00 0.01 0.00 0.00 42.46 37.76 2c9i s ILE 45 CO 0.04 -0.56 0.17 0.35 0.00 0.00 0.00 174.94 174.94 2c9i n THR 46 N 6.21 1.50 -4.14 2.92 -2.24 0.02 -4.91 114.28 113.64 2c9i n THR 46 Ca 0.13 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 2c9i n THR 46 Cb 0.47 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.67 2c9i n THR 46 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2c9i s GLU 47 N -2.53 0.74 0.00 -0.78 2.02 -1.03 -4.84 118.70 112.29 2c9i s GLU 47 Ca -0.15 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.78 2c9i s GLU 47 Cb 0.07 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 33.89 2c9i s GLU 47 CO 0.77 0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.52 2c9i n GLY 48 N 0.76 0.68 7.00 -1.39 0.00 -1.26 -1.57 105.19 109.41 2c9i n GLY 48 Ca -0.18 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2c9i n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 49 N -2.56 1.29 3.72 -0.02 0.00 -1.26 -4.32 105.19 102.05 2c9i n GLY 49 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2c9i n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c9i s PRO 50 N 0.00 4.48 0.20 1.61 0.04 -1.26 -4.93 135.00 135.14 2c9i s PRO 50 Ca 0.00 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 2c9i s PRO 50 Cb 0.00 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 2c9i s PRO 50 CO 0.00 -0.15 1.30 -0.51 0.04 0.00 0.00 177.00 177.68 2c9i s LEU 51 N 0.47 4.42 0.00 -3.56 1.02 -1.26 -4.93 118.68 114.84 2c9i s LEU 51 Ca 0.55 2.39 0.30 0.00 0.02 0.00 0.00 54.13 57.40 2c9i s LEU 51 Cb -0.30 -3.61 1.53 0.00 0.02 0.00 0.00 46.19 43.82 2c9i s LEU 51 CO 0.32 -0.51 2.01 -0.81 0.02 0.00 0.00 176.35 177.39 2c9i n PRO 52 N 2.52 1.25 -4.41 1.29 -0.04 -1.26 -4.85 135.00 129.50 2c9i n PRO 52 Ca 0.06 -0.40 -0.21 0.00 -0.04 0.00 0.00 63.50 62.90 2c9i n PRO 52 Cb 0.43 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 2c9i n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2c9i s PHE 53 N -2.03 2.01 0.16 0.54 -0.12 -1.26 -4.64 117.98 112.64 2c9i s PHE 53 Ca 0.43 -0.45 -0.33 0.00 -0.05 0.00 0.00 56.93 56.53 2c9i s PHE 53 Cb 0.21 -0.90 -0.12 0.00 -0.63 0.00 0.00 43.02 41.59 2c9i s PHE 53 CO 0.36 0.54 1.71 0.00 -0.05 0.00 0.00 175.22 177.78 2c9i n ALA 54 N -0.50 2.15 0.24 1.99 0.00 0.28 -4.88 120.51 119.79 2c9i n ALA 54 Ca -0.06 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.84 2c9i n ALA 54 Cb 0.60 -2.48 0.58 0.00 0.00 0.00 0.00 19.45 18.15 2c9i n ALA 54 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2c9i h PHE 55 N 6.99 0.00 -0.85 0.00 3.04 -1.94 -3.07 116.94 121.11 2c9i h PHE 55 Ca -0.45 0.00 0.25 0.00 3.98 0.00 0.00 57.97 61.75 2c9i h PHE 55 Cb 1.23 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.70 2c9i h PHE 55 CO 0.68 0.09 0.61 -0.44 -2.02 0.00 0.00 178.31 177.23 2c9i h ASP 56 N 0.00 0.02 0.40 0.41 3.32 -1.96 -0.25 116.42 118.36 2c9i h ASP 56 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2c9i h ASP 56 Cb 0.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2c9i h ASP 56 CO 0.01 0.01 0.00 2.30 -1.72 0.00 0.00 179.24 179.84 2c9i n ILE 57 N -4.29 0.32 0.28 0.35 -5.35 -1.16 -2.51 119.36 106.99 2c9i n ILE 57 Ca 0.18 0.08 0.09 0.00 -0.27 0.00 0.00 62.75 62.83 2c9i n ILE 57 Cb 0.91 -0.72 -0.13 0.00 -1.74 0.00 0.00 39.64 37.96 2c9i n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2c9i n LEU 58 N -1.28 0.28 -0.28 7.28 4.77 -0.11 -4.70 117.00 122.97 2c9i n LEU 58 Ca 0.10 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2c9i n LEU 58 Cb 0.17 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.39 2c9i n LEU 58 CO 0.17 0.07 1.14 0.28 -1.33 0.00 0.00 177.39 177.72 2c9i h SER 59 N 0.00 0.69 0.05 -1.43 0.02 -1.52 -1.54 113.55 109.83 2c9i h SER 59 Ca 0.00 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2c9i h SER 59 Cb 0.72 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2c9i h SER 59 CO 0.00 0.44 -0.14 0.45 -1.14 0.00 0.00 176.83 176.44 2c9i h HIS 60 N 0.82 0.21 0.00 3.45 3.86 -1.84 -2.58 115.15 119.07 2c9i h HIS 60 Ca 0.35 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.43 2c9i h HIS 60 Cb 0.21 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2c9i h HIS 60 CO -0.06 0.34 -0.53 0.00 0.86 0.00 0.00 177.93 178.55 2c9i h ALA 61 N 1.67 0.88 0.00 2.45 0.00 -1.60 -3.46 119.26 119.20 2c9i h ALA 61 Ca 0.04 -0.48 -0.35 0.00 0.00 0.00 0.00 54.91 54.12 2c9i h ALA 61 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2c9i h ALA 61 CO 0.02 0.66 1.84 1.19 0.00 0.00 0.00 179.25 182.96 2c9i n PHE 62 N -3.55 1.07 0.00 0.00 3.72 -0.98 -4.99 117.46 112.74 2c9i n PHE 62 Ca -0.00 -1.88 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 2c9i n PHE 62 Cb 0.61 -1.70 0.00 0.00 -0.94 0.00 0.00 39.48 37.46 2c9i n PHE 62 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2c9i n ILE 66 N 3.46 0.00 1.86 4.37 5.41 -1.26 -5.12 119.36 128.08 2c9i n ILE 66 Ca 0.47 0.00 0.05 0.00 1.00 0.00 0.00 62.75 64.27 2c9i n ILE 66 Cb 0.36 0.00 0.28 0.00 -0.71 0.00 0.00 39.64 39.57 2c9i n ILE 66 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2c9i n LYS 67 N 0.00 0.93 0.09 0.38 4.76 -1.26 -2.63 118.16 120.42 2c9i n LYS 67 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2c9i n LYS 67 Cb 0.00 -1.16 0.31 0.00 -1.84 0.00 0.00 35.03 32.34 2c9i n LYS 67 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2c9i h VAL 68 N 0.00 1.22 -1.33 -0.18 2.07 -1.95 -3.31 116.25 112.78 2c9i h VAL 68 Ca 0.00 -1.03 -0.74 0.00 0.82 0.00 0.00 66.70 65.75 2c9i h VAL 68 Cb 0.00 1.32 -0.14 0.00 -1.52 0.00 0.00 31.29 30.95 2c9i h VAL 68 CO 0.00 0.32 2.04 0.49 0.02 0.00 0.00 177.57 180.44 2c9i n PHE 69 N -4.19 3.59 -3.77 1.57 3.01 -1.08 -4.62 117.46 111.96 2c9i n PHE 69 Ca -0.01 -2.95 -0.13 0.00 1.01 0.00 0.00 57.45 55.37 2c9i n PHE 69 Cb 0.33 -2.13 -0.14 0.00 -0.01 0.00 0.00 39.48 37.54 2c9i n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c9i s ALA 70 N 1.28 -0.27 -0.45 4.37 0.00 -1.17 -4.34 121.76 121.18 2c9i s ALA 70 Ca 0.42 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 2c9i s ALA 70 Cb 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2c9i s ALA 70 CO -0.00 -0.13 1.31 0.21 0.00 0.00 0.00 175.76 177.15 2c9i s LYS 71 N 0.82 3.61 -0.11 0.00 2.20 -0.24 -4.51 119.74 121.51 2c9i s LYS 71 Ca -0.06 0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 2c9i s LYS 71 Cb -0.08 -3.99 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2c9i s LYS 71 CO -0.04 -1.52 -0.08 0.71 -0.36 0.00 0.00 175.35 174.06 2c9i s TYR 72 N 5.10 2.92 0.63 4.03 1.51 -1.26 -0.25 117.35 130.03 2c9i s TYR 72 Ca 0.56 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 56.21 2c9i s TYR 72 Cb -0.11 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2c9i s TYR 72 CO 0.32 0.05 1.05 -1.25 -1.11 0.00 0.00 175.55 174.61 2c9i s PRO 73 N -0.10 3.25 0.31 -1.71 0.04 -1.26 -4.97 135.00 130.56 2c9i s PRO 73 Ca 0.00 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.09 2c9i s PRO 73 Cb -0.13 -2.03 0.64 0.00 0.04 0.00 0.00 34.50 33.01 2c9i s PRO 73 CO 0.03 -0.85 1.86 -0.22 0.04 0.00 0.00 177.00 177.86 2c9i h LYS 74 N -0.12 0.87 0.00 4.56 3.11 -1.99 -2.80 116.57 120.20 2c9i h LYS 74 Ca -0.45 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 2c9i h LYS 74 Cb 1.21 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2c9i h LYS 74 CO 0.58 0.58 0.00 -0.85 -2.81 0.00 0.00 179.45 176.95 2c9i n GLU 75 N -4.58 0.08 -3.95 1.90 0.00 -1.26 -4.68 120.64 108.14 2c9i n GLU 75 Ca 0.18 0.12 -0.35 0.00 0.00 0.00 0.00 57.16 57.10 2c9i n GLU 75 Cb 0.37 -1.60 -0.14 0.00 0.00 0.00 0.00 31.44 30.07 2c9i n GLU 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2c9i s ILE 76 N -3.05 3.39 0.16 3.84 1.01 -1.06 -5.03 121.20 120.46 2c9i s ILE 76 Ca 0.12 -0.49 -0.34 0.00 0.00 0.00 0.00 60.65 59.94 2c9i s ILE 76 Cb 0.15 -2.54 -0.14 0.00 0.01 0.00 0.00 42.46 39.95 2c9i s ILE 76 CO 0.50 0.43 1.56 -2.65 0.00 0.00 0.00 174.94 174.78 2c9i n PRO 77 N 4.71 2.12 -3.12 2.79 -0.02 -1.26 -4.66 135.00 135.55 2c9i n PRO 77 Ca -0.18 0.76 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 2c9i n PRO 77 Cb 0.51 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 2c9i n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2c9i s ASP 78 N 0.87 6.37 0.22 2.55 3.68 -1.26 -4.47 116.67 124.63 2c9i s ASP 78 Ca 0.79 -1.79 -0.08 0.00 2.13 0.00 0.00 52.55 53.60 2c9i s ASP 78 Cb -0.69 -2.30 0.28 0.00 -1.45 0.00 0.00 42.92 38.77 2c9i s ASP 78 CO 0.38 -1.00 1.80 0.15 0.13 0.00 0.00 175.17 176.64 2c9i h PHE 79 N 8.86 0.71 -0.10 -5.34 3.04 -1.92 -2.07 116.94 120.11 2c9i h PHE 79 Ca -0.14 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.60 2c9i h PHE 79 Cb 1.07 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 39.38 2c9i h PHE 79 CO 0.93 0.32 -0.86 0.74 -2.02 0.00 0.00 178.31 177.41 2c9i h PHE 80 N 0.70 1.03 -0.19 0.41 -1.00 -1.91 -0.94 116.94 115.04 2c9i h PHE 80 Ca 0.32 -0.49 -0.15 0.00 2.81 0.00 0.00 57.97 60.47 2c9i h PHE 80 Cb 0.24 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2c9i h PHE 80 CO -0.08 1.32 -0.51 0.87 -1.61 0.00 0.00 178.31 178.30 2c9i h LYS 81 N 0.48 0.52 -0.44 1.51 1.57 -1.86 -2.03 116.57 116.32 2c9i h LYS 81 Ca -0.08 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 2c9i h LYS 81 Cb 1.50 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 2c9i h LYS 81 CO 0.17 0.91 -0.12 1.96 -0.57 0.00 0.00 179.45 181.80 2c9i h GLN 82 N 0.41 0.81 0.00 3.15 4.20 -1.30 -3.29 115.11 119.08 2c9i h GLN 82 Ca 0.02 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2c9i h GLN 82 Cb 1.03 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2c9i h GLN 82 CO 0.09 0.89 -0.63 0.77 -0.67 0.00 0.00 178.83 179.28 2c9i h SER 83 N 0.73 0.00 -0.03 1.46 0.02 -1.08 -3.40 113.55 111.24 2c9i h SER 83 Ca 0.12 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2c9i h SER 83 Cb 0.61 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2c9i h SER 83 CO 0.04 0.04 -0.18 0.25 -1.14 0.00 0.00 176.83 175.84 2c9i h LEU 84 N 0.00 -0.53 -0.49 5.07 6.46 -1.44 0.14 115.31 124.53 2c9i h LEU 84 Ca 0.00 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2c9i h LEU 84 Cb 0.88 0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.98 2c9i h LEU 84 CO 0.00 -0.24 0.16 -0.65 -0.62 0.00 0.00 178.44 177.09 2c9i h PRO 85 N -0.27 0.31 0.00 5.25 0.11 -1.80 -2.04 132.00 133.56 2c9i h PRO 85 Ca 0.07 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 2c9i h PRO 85 Cb 0.36 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2c9i h PRO 85 CO -0.19 0.21 -0.20 0.78 -0.21 0.00 0.00 178.00 178.38 2c9i h GLY 86 N 0.32 0.00 0.00 -0.55 0.00 -1.80 -3.43 103.07 97.61 2c9i h GLY 86 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2c9i h GLY 86 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.90 2c9i n GLY 87 N 0.84 1.73 3.29 4.60 0.00 0.49 -4.70 105.19 111.45 2c9i n GLY 87 Ca 0.02 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 2c9i n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2c9i s PHE 88 N -1.34 0.62 0.07 1.61 -0.12 -0.58 -1.64 117.98 116.61 2c9i s PHE 88 Ca 0.00 -0.97 0.03 0.00 -0.05 0.00 0.00 56.93 55.94 2c9i s PHE 88 Cb 0.00 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 2c9i s PHE 88 CO 0.00 -0.68 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.28 2c9i s SER 89 N -3.02 1.15 0.07 1.98 0.01 0.38 -0.12 113.70 114.15 2c9i s SER 89 Ca 0.23 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2c9i s SER 89 Cb 0.05 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2c9i s SER 89 CO 0.03 -0.26 -0.11 -1.66 0.41 0.00 0.00 173.24 171.65 2c9i s TRP 90 N -2.07 1.01 0.04 2.43 1.48 -0.75 -0.97 118.94 120.10 2c9i s TRP 90 Ca -0.01 -0.54 0.02 0.00 -1.06 0.00 0.00 56.10 54.51 2c9i s TRP 90 Cb -0.05 -0.57 -0.02 0.00 -1.16 0.00 0.00 33.47 31.67 2c9i s TRP 90 CO -0.01 -0.00 -0.08 -1.21 -4.06 0.00 0.00 176.95 171.59 2c9i s GLU 91 N -2.06 0.54 -0.09 3.25 2.02 -0.49 -0.97 118.70 120.90 2c9i s GLU 91 Ca -0.02 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.14 2c9i s GLU 91 Cb -0.08 -0.33 0.03 0.00 0.10 0.00 0.00 34.13 33.85 2c9i s GLU 91 CO 0.01 0.06 0.28 0.50 0.02 0.00 0.00 175.26 176.14 2c9i s ARG 92 N -1.49 0.37 -0.18 1.61 3.52 -0.34 -0.13 118.95 122.32 2c9i s ARG 92 Ca -0.09 0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 2c9i s ARG 92 Cb -0.09 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.47 2c9i s ARG 92 CO 0.00 -0.06 -0.12 0.08 -0.81 0.00 0.00 175.30 174.40 2c9i s VAL 93 N -0.05 2.85 -0.27 7.11 1.01 -0.80 -1.50 120.40 128.75 2c9i s VAL 93 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2c9i s VAL 93 Cb -0.03 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2c9i s VAL 93 CO 0.01 0.49 0.03 -0.44 0.00 0.00 0.00 175.10 175.18 2c9i s SER 94 N 1.13 4.82 -0.34 3.32 0.01 0.01 -1.95 113.70 120.72 2c9i s SER 94 Ca 0.01 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 2c9i s SER 94 Cb -0.14 -1.82 0.05 0.00 0.21 0.00 0.00 66.02 64.32 2c9i s SER 94 CO -0.04 -0.12 0.09 -0.89 0.41 0.00 0.00 173.24 172.68 2c9i s THR 95 N 1.48 3.45 0.30 1.44 2.01 0.55 -0.73 115.64 124.14 2c9i s THR 95 Ca 0.03 -1.35 -0.23 0.00 0.31 0.00 0.00 61.69 60.45 2c9i s THR 95 Cb -0.16 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2c9i s THR 95 CO 0.00 -0.23 0.86 -0.31 -0.69 0.00 0.00 174.62 174.25 2c9i s TYR 96 N 1.32 3.63 0.13 4.92 2.02 0.74 -0.30 117.35 129.81 2c9i s TYR 96 Ca -0.02 1.60 0.32 0.00 -0.37 0.00 0.00 57.07 58.61 2c9i s TYR 96 Cb -0.20 -2.79 1.66 0.00 -0.40 0.00 0.00 41.96 40.22 2c9i s TYR 96 CO 0.00 0.22 1.97 1.05 -1.57 0.00 0.00 175.55 177.23 2c9i h GLU 97 N 3.11 0.00 -0.41 -0.62 4.11 -1.50 -2.59 114.58 116.68 2c9i h GLU 97 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2c9i h GLU 97 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2c9i h GLU 97 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 2c9i n ASP 98 N -2.64 3.40 0.00 3.06 3.85 -1.26 -4.98 116.55 117.97 2c9i n ASP 98 Ca -0.01 -2.22 0.00 0.00 -0.71 0.00 0.00 54.79 51.85 2c9i n ASP 98 Cb 0.09 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 2c9i n ASP 98 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c9i n GLY 99 N 0.53 0.85 3.75 6.12 0.00 -0.98 -4.51 105.19 110.96 2c9i n GLY 99 Ca 0.16 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2c9i n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c9i s GLY 100 N -0.75 2.48 -0.10 -0.02 0.00 -1.20 -4.56 107.32 103.18 2c9i s GLY 100 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.09 2c9i s GLY 100 CO 0.00 2.24 -0.08 0.14 0.00 0.00 0.00 173.10 175.40 2c9i s VAL 101 N -0.32 0.99 -0.24 1.40 1.01 -0.74 -0.18 120.40 122.31 2c9i s VAL 101 Ca 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 2c9i s VAL 101 Cb -0.43 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2c9i s VAL 101 CO 0.47 0.35 -0.06 -0.22 0.00 0.00 0.00 175.10 175.64 2c9i s LEU 102 N 1.53 3.11 -0.07 3.92 1.98 0.09 -1.36 118.68 127.89 2c9i s LEU 102 Ca 0.01 -0.81 -0.05 0.00 -2.89 0.00 0.00 54.13 50.40 2c9i s LEU 102 Cb -0.13 -1.66 -0.04 0.00 0.66 0.00 0.00 46.19 45.01 2c9i s LEU 102 CO -0.06 -0.11 0.15 -0.44 -1.89 0.00 0.00 176.35 174.00 2c9i s SER 103 N 1.34 6.27 -0.04 3.68 0.01 0.12 -0.81 113.70 124.28 2c9i s SER 103 Ca 0.01 0.38 -0.08 0.00 1.31 0.00 0.00 55.95 57.57 2c9i s SER 103 Cb -0.16 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.10 2c9i s SER 103 CO -0.05 0.34 0.19 0.00 0.41 0.00 0.00 173.24 174.13 2c9i s ALA 104 N -1.15 -0.47 0.03 1.44 0.00 -0.56 -0.10 121.76 120.95 2c9i s ALA 104 Ca 0.20 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.44 2c9i s ALA 104 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2c9i s ALA 104 CO 0.10 -0.16 -0.09 -0.08 0.00 0.00 0.00 175.76 175.53 2c9i s THR 105 N -0.69 0.63 -0.10 0.00 -1.32 -0.14 -1.20 115.64 112.83 2c9i s THR 105 Ca -0.08 -0.91 -0.13 0.00 -1.21 0.00 0.00 61.69 59.36 2c9i s THR 105 Cb -0.04 -0.64 0.03 0.00 -1.51 0.00 0.00 72.50 70.33 2c9i s THR 105 CO 0.01 -0.22 0.34 -1.58 -2.21 0.00 0.00 174.62 170.97 2c9i s GLN 106 N -1.23 0.50 -0.11 7.08 -0.44 -0.14 -0.31 119.66 125.01 2c9i s GLN 106 Ca -0.05 0.28 0.04 0.00 -2.50 0.00 0.00 55.36 53.13 2c9i s GLN 106 Cb -0.08 0.23 0.00 0.00 -1.64 0.00 0.00 33.01 31.52 2c9i s GLN 106 CO 0.01 -0.09 -0.23 -2.00 0.50 0.00 0.00 175.29 173.47 2c9i s GLU 107 N -0.28 3.06 -0.16 1.67 2.12 -0.70 -1.82 118.70 122.59 2c9i s GLU 107 Ca -0.04 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.41 2c9i s GLU 107 Cb -0.03 -2.32 -0.00 0.00 0.26 0.00 0.00 34.13 32.03 2c9i s GLU 107 CO 0.02 0.16 -0.14 0.99 -0.54 0.00 0.00 175.26 175.75 2c9i s THR 108 N 0.39 2.82 0.16 -1.70 2.01 0.83 -1.80 115.64 118.35 2c9i s THR 108 Ca -0.17 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 2c9i s THR 108 Cb -0.18 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2c9i s THR 108 CO 0.08 0.51 0.05 -0.94 -0.69 0.00 0.00 174.62 173.62 2c9i s SER 109 N 0.80 0.63 -0.12 3.53 1.04 -0.77 -1.52 113.70 117.29 2c9i s SER 109 Ca -0.05 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.19 2c9i s SER 109 Cb -0.15 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.21 2c9i s SER 109 CO 0.00 -0.69 -0.20 -0.22 0.98 0.00 0.00 173.24 173.12 2c9i s LEU 110 N -3.11 1.99 -0.22 2.42 2.96 -1.26 -1.03 118.68 120.43 2c9i s LEU 110 Ca 0.26 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2c9i s LEU 110 Cb 0.07 -1.33 0.07 0.00 0.50 0.00 0.00 46.19 45.50 2c9i s LEU 110 CO 0.04 0.07 0.02 -1.10 -1.32 0.00 0.00 176.35 174.06 2c9i s GLN 111 N 0.78 0.91 7.54 1.98 -0.21 -0.58 -5.01 119.66 125.06 2c9i s GLN 111 Ca -0.09 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.63 2c9i s GLN 111 Cb -0.16 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.63 2c9i s GLN 111 CO 0.00 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.90 2c9i n GLY 112 N 4.93 2.66 0.96 3.09 0.00 -1.26 -1.67 105.19 113.90 2c9i n GLY 112 Ca -0.09 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.74 2c9i n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c9i n ASP 113 N 7.72 3.27 -4.59 1.61 5.75 -1.26 -4.94 116.55 124.11 2c9i n ASP 113 Ca 0.00 -1.94 -0.41 0.00 -0.01 0.00 0.00 54.79 52.43 2c9i n ASP 113 Cb 0.00 -0.29 -0.08 0.00 -1.03 0.00 0.00 41.12 39.73 2c9i n ASP 113 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c9i s ILE 115 N 2.39 4.63 -0.16 0.00 1.01 0.60 -1.53 121.20 128.13 2c9i s ILE 115 Ca 0.20 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.48 2c9i s ILE 115 Cb -0.15 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2c9i s ILE 115 CO 0.12 -0.63 0.19 0.27 0.00 0.00 0.00 174.94 174.88 2c9i s ILE 116 N 3.36 5.38 -0.09 2.92 -5.25 -0.20 -1.49 121.20 125.84 2c9i s ILE 116 Ca 0.33 0.32 0.03 0.00 -0.99 0.00 0.00 60.65 60.34 2c9i s ILE 116 Cb -0.12 -3.51 0.01 0.00 2.95 0.00 0.00 42.46 41.79 2c9i s ILE 116 CO 0.21 0.47 -0.18 0.00 -1.79 0.00 0.00 174.94 173.65 2c9i s LYS 118 N 0.58 2.23 -0.08 0.00 1.02 -0.74 -1.14 119.74 121.61 2c9i s LYS 118 Ca -0.15 -1.37 -0.00 0.00 0.02 0.00 0.00 55.97 54.46 2c9i s LYS 118 Cb -0.17 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2c9i s LYS 118 CO 0.05 -0.62 -0.05 0.08 -0.92 0.00 0.00 175.35 173.89 2c9i s VAL 119 N 1.12 3.85 -0.07 3.17 1.01 0.32 -1.72 120.40 128.08 2c9i s VAL 119 Ca -0.06 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2c9i s VAL 119 Cb -0.20 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2c9i s VAL 119 CO -0.04 0.59 -0.16 -0.75 0.00 0.00 0.00 175.10 174.74 2c9i s LYS 120 N -0.72 2.14 -0.03 2.72 2.36 0.57 -2.00 119.74 124.78 2c9i s LYS 120 Ca 0.11 -0.58 0.06 0.00 -2.55 0.00 0.00 55.97 53.01 2c9i s LYS 120 Cb -0.11 -1.70 -0.01 0.00 -1.05 0.00 0.00 37.83 34.95 2c9i s LYS 120 CO 0.02 0.09 -0.20 0.08 1.55 0.00 0.00 175.35 176.89 2c9i s VAL 121 N 0.51 1.62 -0.23 4.02 1.01 -0.56 -0.96 120.40 125.82 2c9i s VAL 121 Ca -0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2c9i s VAL 121 Cb -0.16 -1.36 0.09 0.00 0.00 0.00 0.00 36.38 34.95 2c9i s VAL 121 CO 0.05 0.46 0.17 -0.22 0.00 0.00 0.00 175.10 175.56 2c9i s LEU 122 N -0.24 0.16 -0.07 3.92 0.20 0.86 -2.20 118.68 121.30 2c9i s LEU 122 Ca 0.02 -0.66 0.03 0.00 0.69 0.00 0.00 54.13 54.20 2c9i s LEU 122 Cb -0.10 0.05 -0.02 0.00 -0.43 0.00 0.00 46.19 45.68 2c9i s LEU 122 CO 0.01 -0.37 -0.14 -0.83 -0.29 0.00 0.00 176.35 174.73 2c9i s GLY 123 N 2.22 1.53 0.21 7.98 0.00 0.11 -0.70 107.32 118.67 2c9i s GLY 123 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 2c9i s GLY 123 CO -0.20 -0.60 0.18 -0.51 0.00 0.00 0.00 173.10 171.97 2c9i s THR 124 N -0.42 0.00 -1.38 0.90 -4.23 -0.46 -1.80 115.64 108.26 2c9i s THR 124 Ca 0.05 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2c9i s THR 124 Cb -0.12 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2c9i s THR 124 CO 0.02 -0.01 0.00 0.59 -0.54 0.00 0.00 174.62 174.68 2c9i n ASN 125 N -0.28 -5.35 -4.70 3.99 4.13 -1.26 -1.80 115.26 109.99 2c9i n ASN 125 Ca 0.01 0.32 -0.42 0.00 1.68 0.00 0.00 54.58 56.17 2c9i n ASN 125 Cb 0.65 -3.99 -0.03 0.00 -1.54 0.00 0.00 39.78 34.87 2c9i n ASN 125 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2c9i s PHE 126 N -2.22 3.06 0.23 3.10 0.40 -1.26 -3.23 117.98 118.06 2c9i s PHE 126 Ca 0.00 0.91 -0.32 0.00 -0.60 0.00 0.00 56.93 56.92 2c9i s PHE 126 Cb 0.00 -3.66 -0.13 0.00 0.51 0.00 0.00 43.02 39.74 2c9i s PHE 126 CO 0.00 -2.35 1.50 -0.35 0.70 0.00 0.00 175.22 174.72 2c9i n PRO 127 N 4.64 2.23 -0.04 0.24 -0.04 -1.26 -4.88 135.00 135.89 2c9i n PRO 127 Ca 0.12 0.80 0.05 0.00 -0.04 0.00 0.00 63.50 64.43 2c9i n PRO 127 Cb 0.43 -2.51 0.42 0.00 -0.04 0.00 0.00 33.50 31.80 2c9i n PRO 127 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c9i h ALA 128 N 4.84 1.73 -0.49 0.55 0.00 -1.98 -2.41 119.26 121.51 2c9i h ALA 128 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2c9i h ALA 128 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2c9i h ALA 128 CO 0.80 0.22 0.00 0.09 0.00 0.00 0.00 179.25 180.36 2c9i n ASN 129 N -4.47 3.53 -4.84 0.00 5.03 -1.26 -4.51 115.26 108.74 2c9i n ASN 129 Ca 0.05 -2.14 -0.29 0.00 0.87 0.00 0.00 54.58 53.07 2c9i n ASN 129 Cb 0.11 -0.37 0.11 0.00 -1.02 0.00 0.00 39.78 38.61 2c9i n ASN 129 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2c9i s GLY 130 N -1.07 1.58 0.46 7.41 0.00 -0.91 -4.85 107.32 109.95 2c9i s GLY 130 Ca 0.36 -0.59 0.13 0.00 0.00 0.00 0.00 44.72 44.62 2c9i s GLY 130 CO 0.21 -0.06 2.07 -0.56 0.00 0.00 0.00 173.10 174.76 2c9i h PRO 131 N -1.29 0.16 0.20 2.90 0.13 -1.93 -1.58 132.00 130.59 2c9i h PRO 131 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2c9i h PRO 131 Cb 1.33 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2c9i h PRO 131 CO 0.64 0.17 -0.10 0.28 -0.23 0.00 0.00 178.00 178.76 2c9i h VAL 132 N 0.17 0.89 0.00 1.56 2.07 -1.93 0.38 116.25 119.39 2c9i h VAL 132 Ca 0.04 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2c9i h VAL 132 Cb 0.09 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2c9i h VAL 132 CO -0.00 0.16 0.00 0.24 0.02 0.00 0.00 177.57 177.99 2c9i h MET 133 N -0.65 0.00 -0.34 1.57 2.86 -1.74 0.92 114.93 117.55 2c9i h MET 133 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2c9i h MET 133 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2c9i h MET 133 CO 0.05 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.06 2c9i n GLN 134 N -2.46 2.45 -3.70 1.72 1.13 -0.60 -4.68 117.38 111.23 2c9i n GLN 134 Ca 0.04 -2.23 -0.31 0.00 -1.94 0.00 0.00 57.00 52.57 2c9i n GLN 134 Cb 0.39 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.28 2c9i n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2c9i n LYS 135 N 1.45 -1.53 -0.79 -1.09 5.02 -0.70 -4.93 118.16 115.60 2c9i n LYS 135 Ca 0.18 0.46 -0.03 0.00 -2.02 0.00 0.00 58.31 56.90 2c9i n LYS 135 Cb 0.60 -4.20 0.20 0.00 -0.02 0.00 0.00 35.03 31.61 2c9i n LYS 135 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2c9i n LYS 136 N -4.20 1.83 -4.10 1.97 4.76 0.12 -4.99 118.16 113.55 2c9i n LYS 136 Ca -0.12 -3.19 -0.29 0.00 -2.87 0.00 0.00 58.31 51.84 2c9i n LYS 136 Cb 0.60 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.92 2c9i n LYS 136 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2c9i s THR 137 N -3.24 4.25 -0.23 -0.18 -4.23 -1.26 -0.22 115.64 110.53 2c9i s THR 137 Ca 0.44 -1.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.09 2c9i s THR 137 Cb 0.40 -3.08 0.46 0.00 1.34 0.00 0.00 72.50 71.62 2c9i s THR 137 CO -0.01 0.04 1.17 0.00 -0.54 0.00 0.00 174.62 175.28 2c9i n GLY 139 N -0.61 -1.14 3.86 0.00 0.00 -1.26 -4.72 105.19 101.32 2c9i n GLY 139 Ca 0.25 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 2c9i n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c9i s TRP 140 N -2.35 3.50 0.76 1.61 0.52 -1.26 -1.17 118.94 120.56 2c9i s TRP 140 Ca 0.00 0.93 -0.11 0.00 0.02 0.00 0.00 56.10 56.95 2c9i s TRP 140 Cb 0.00 -2.29 0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2c9i s TRP 140 CO 0.00 0.34 1.08 -1.21 0.02 0.00 0.00 176.95 177.19 2c9i s GLU 141 N -2.44 2.35 0.77 4.98 0.41 -0.12 -4.81 118.70 119.84 2c9i s GLU 141 Ca 0.43 1.02 -0.13 0.00 -0.41 0.00 0.00 54.97 55.88 2c9i s GLU 141 Cb -0.13 -1.92 0.06 0.00 -1.78 0.00 0.00 34.13 30.37 2c9i s GLU 141 CO 0.20 -1.53 1.17 -1.25 -0.49 0.00 0.00 175.26 173.36 2c9i s PRO 142 N -4.97 1.95 0.23 0.39 0.04 -1.26 -4.74 135.00 126.64 2c9i s PRO 142 Ca 0.60 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 2c9i s PRO 142 Cb -0.16 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2c9i s PRO 142 CO 0.56 -1.95 0.35 -1.54 0.04 0.00 0.00 177.00 174.46 2c9i s SER 143 N -2.43 0.04 -0.11 6.66 1.04 -0.76 -4.81 113.70 113.32 2c9i s SER 143 Ca 0.70 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2c9i s SER 143 Cb -0.25 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2c9i s SER 143 CO 0.49 -1.03 -0.21 -0.89 0.98 0.00 0.00 173.24 172.59 2c9i s THR 144 N -4.04 1.87 -0.05 2.02 2.01 -1.26 -0.39 115.64 115.80 2c9i s THR 144 Ca 0.29 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 2c9i s THR 144 Cb 0.02 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2c9i s THR 144 CO 0.11 0.52 0.04 -0.70 -0.69 0.00 0.00 174.62 173.89 2c9i s GLU 145 N 0.65 3.02 -0.27 4.92 2.12 0.74 -4.60 118.70 125.28 2c9i s GLU 145 Ca -0.12 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.64 2c9i s GLU 145 Cb -0.16 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2c9i s GLU 145 CO 0.03 0.68 0.31 0.99 -0.54 0.00 0.00 175.26 176.74 2c9i s THR 146 N -1.01 5.22 -0.35 -1.70 2.01 -0.27 -0.73 115.64 118.81 2c9i s THR 146 Ca 0.17 0.45 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 2c9i s THR 146 Cb -0.12 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2c9i s THR 146 CO 0.07 0.20 0.40 -0.69 -0.69 0.00 0.00 174.62 173.91 2c9i s VAL 147 N 1.87 5.13 -0.13 3.82 1.01 0.11 -1.92 120.40 130.28 2c9i s VAL 147 Ca 0.13 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2c9i s VAL 147 Cb -0.16 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2c9i s VAL 147 CO 0.10 -0.16 -0.19 -0.63 0.00 0.00 0.00 175.10 174.22 2c9i s ILE 148 N 2.11 2.38 0.13 2.22 1.01 0.02 -2.01 121.20 127.07 2c9i s ILE 148 Ca 0.13 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 2c9i s ILE 148 Cb -0.16 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.26 2c9i s ILE 148 CO 0.12 0.54 1.26 -2.16 0.00 0.00 0.00 174.94 174.70 2c9i s PRO 149 N 0.64 4.41 -0.19 2.79 0.04 -1.26 0.17 135.00 141.60 2c9i s PRO 149 Ca -0.10 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 2c9i s PRO 149 Cb -0.16 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.17 2c9i s PRO 149 CO 0.02 -0.25 0.46 0.50 0.04 0.00 0.00 177.00 177.77 2c9i s ARG 150 N 0.51 0.46 -1.38 4.56 3.52 -0.59 -4.86 118.95 121.16 2c9i s ARG 150 Ca 0.58 0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 57.02 2c9i s ARG 150 Cb -0.33 0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 2c9i s ARG 150 CO 0.33 -0.15 0.53 -0.25 -0.81 0.00 0.00 175.30 174.95 2c9i n ASP 151 N 4.14 -0.75 0.00 -2.12 8.00 -1.26 -0.20 116.55 124.37 2c9i n ASP 151 Ca -0.22 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2c9i n ASP 151 Cb 0.56 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 2c9i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c9i n GLY 152 N -1.82 0.30 0.00 0.44 0.00 -1.26 -4.92 105.19 97.93 2c9i n GLY 152 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2c9i n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 153 N -1.21 5.35 3.22 -0.02 0.00 0.72 -4.76 105.19 108.49 2c9i n GLY 153 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 2c9i n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9i s LEU 154 N 0.00 2.23 -0.17 0.99 1.02 -1.08 -1.55 118.68 120.11 2c9i s LEU 154 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 53.59 2c9i s LEU 154 Cb 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 46.19 45.46 2c9i s LEU 154 CO 0.00 0.06 -0.16 -0.22 0.02 0.00 0.00 176.35 176.05 2c9i s LEU 155 N -1.49 2.01 -0.15 1.79 0.20 0.13 -1.16 118.68 120.01 2c9i s LEU 155 Ca 0.04 -0.64 -0.02 0.00 0.69 0.00 0.00 54.13 54.20 2c9i s LEU 155 Cb -0.09 -1.32 -0.02 0.00 -0.43 0.00 0.00 46.19 44.33 2c9i s LEU 155 CO 0.02 -0.05 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.20 2c9i s LEU 156 N 1.38 2.99 -0.03 -0.68 1.02 0.16 -0.80 118.68 122.72 2c9i s LEU 156 Ca 0.04 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 54.00 2c9i s LEU 156 Cb -0.14 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 2c9i s LEU 156 CO -0.11 0.15 -0.18 -0.13 0.02 0.00 0.00 176.35 176.10 2c9i s ARG 157 N 0.45 1.65 0.07 1.70 0.52 -0.81 0.04 118.95 122.57 2c9i s ARG 157 Ca -0.06 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 2c9i s ARG 157 Cb -0.15 -1.52 0.01 0.00 0.52 0.00 0.00 34.95 33.81 2c9i s ARG 157 CO 0.04 0.34 0.24 0.34 0.02 0.00 0.00 175.30 176.29 2c9i s ASP 158 N -0.26 -0.01 -0.55 0.23 -1.08 -0.77 -1.11 116.67 113.13 2c9i s ASP 158 Ca 0.03 -0.41 0.07 0.00 -0.52 0.00 0.00 52.55 51.71 2c9i s ASP 158 Cb -0.09 0.35 0.24 0.00 -1.46 0.00 0.00 42.92 41.96 2c9i s ASP 158 CO 0.00 -0.67 0.64 1.07 0.52 0.00 0.00 175.17 176.74 2c9i n THR 159 N 0.29 1.13 -2.28 1.71 5.66 -1.26 -1.17 114.28 118.37 2c9i n THR 159 Ca -0.17 -4.72 -0.35 0.00 -3.05 0.00 0.00 64.05 55.76 2c9i n THR 159 Cb 0.61 -2.04 -0.00 0.00 -1.55 0.00 0.00 70.33 67.35 2c9i n THR 159 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2c9i s PRO 160 N -1.89 3.39 -0.16 1.09 0.04 -1.19 -4.84 135.00 131.44 2c9i s PRO 160 Ca 0.37 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 2c9i s PRO 160 Cb 0.14 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2c9i s PRO 160 CO -0.06 -0.81 -0.11 0.00 0.04 0.00 0.00 177.00 176.07 2c9i s ALA 161 N -1.82 2.68 -0.25 8.56 0.00 -1.26 -2.50 121.76 127.16 2c9i s ALA 161 Ca 0.72 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 2c9i s ALA 161 Cb -0.23 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2c9i s ALA 161 CO 0.27 0.03 0.15 -1.17 0.00 0.00 0.00 175.76 175.04 2c9i s LEU 162 N 0.71 3.96 0.30 0.00 2.96 0.73 -0.95 118.68 126.39 2c9i s LEU 162 Ca -0.05 0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.58 2c9i s LEU 162 Cb -0.15 -2.08 -0.10 0.00 0.50 0.00 0.00 46.19 44.36 2c9i s LEU 162 CO 0.02 0.01 1.24 -0.04 -1.32 0.00 0.00 176.35 176.26 2c9i s MET 163 N 1.38 4.45 0.28 1.98 -1.94 -0.31 -0.18 119.30 124.96 2c9i s MET 163 Ca 0.07 2.07 0.09 0.00 -1.71 0.00 0.00 55.69 56.21 2c9i s MET 163 Cb -0.15 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 2c9i s MET 163 CO 0.07 -0.07 0.06 -0.51 -0.01 0.00 0.00 175.02 174.56 2c9i s LEU 164 N -1.50 3.32 0.51 -0.03 1.43 -0.77 0.23 118.68 121.87 2c9i s LEU 164 Ca 0.48 -0.60 0.25 0.00 -1.03 0.00 0.00 54.13 53.24 2c9i s LEU 164 Cb -0.37 -1.84 1.36 0.00 0.03 0.00 0.00 46.19 45.37 2c9i s LEU 164 CO 0.48 -0.06 2.05 0.00 0.23 0.00 0.00 176.35 179.04 2c9i h ALA 165 N 1.75 1.33 -0.00 4.21 0.00 -0.90 -2.50 119.26 123.14 2c9i h ALA 165 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2c9i h ALA 165 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2c9i h ALA 165 CO 0.61 0.17 -0.06 -0.40 0.00 0.00 0.00 179.25 179.58 2c9i n ASP 166 N -3.73 0.07 0.00 0.00 5.68 -1.26 -4.91 116.55 112.40 2c9i n ASP 166 Ca -0.02 0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 2c9i n ASP 166 Cb 0.25 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 2c9i n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c9i n GLY 167 N 1.45 0.45 0.00 6.12 0.00 -0.94 -5.08 105.19 107.19 2c9i n GLY 167 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2c9i n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 168 N -1.87 1.30 3.05 -0.02 0.00 -1.26 -4.87 105.19 101.53 2c9i n GLY 168 Ca 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 2c9i n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c9i s HIS 169 N 1.57 0.69 -0.17 1.61 3.76 -1.26 -1.85 115.29 119.63 2c9i s HIS 169 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2c9i s HIS 169 Cb 0.00 -0.41 0.01 0.00 1.11 0.00 0.00 32.58 33.28 2c9i s HIS 169 CO 0.00 -0.06 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.50 2c9i s LEU 170 N -1.34 2.38 0.05 0.89 2.96 0.75 -4.94 118.68 119.44 2c9i s LEU 170 Ca -0.07 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 2c9i s LEU 170 Cb -0.09 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2c9i s LEU 170 CO 0.00 0.04 0.14 -0.94 -1.32 0.00 0.00 176.35 174.27 2c9i s SER 171 N 1.10 5.94 0.09 3.68 1.04 -1.26 -0.19 113.70 124.09 2c9i s SER 171 Ca 0.00 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.60 2c9i s SER 171 Cb -0.14 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 2c9i s SER 171 CO -0.05 0.19 -0.07 0.00 0.98 0.00 0.00 173.24 174.29 2c9i s PHE 173 N -3.29 3.38 -0.10 0.00 2.99 0.59 -3.15 117.98 118.40 2c9i s PHE 173 Ca 0.09 0.28 0.02 0.00 0.00 0.00 0.00 56.93 57.31 2c9i s PHE 173 Cb 0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 43.02 40.95 2c9i s PHE 173 CO -0.04 0.32 -0.16 -1.64 -0.00 0.00 0.00 175.22 173.71 2c9i s MET 174 N 0.10 3.09 -0.17 0.44 -1.94 -0.32 -0.33 119.30 120.17 2c9i s MET 174 Ca 0.08 -0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 2c9i s MET 174 Cb -0.12 -2.50 0.04 0.00 2.01 0.00 0.00 34.83 34.27 2c9i s MET 174 CO -0.00 0.31 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.06 2c9i s GLU 175 N 0.07 1.40 -0.14 2.03 2.02 -0.82 -1.85 118.70 121.41 2c9i s GLU 175 Ca -0.06 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.39 2c9i s GLU 175 Cb -0.15 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2c9i s GLU 175 CO 0.05 -0.46 -0.21 0.99 0.02 0.00 0.00 175.26 175.65 2c9i s THR 176 N 1.62 2.20 0.04 3.63 2.01 0.11 -1.90 115.64 123.35 2c9i s THR 176 Ca -0.00 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 2c9i s THR 176 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2c9i s THR 176 CO -0.08 0.54 0.18 0.42 -0.69 0.00 0.00 174.62 175.00 2c9i s THR 177 N 0.76 5.25 -0.03 -0.82 -4.23 0.82 0.40 115.64 117.77 2c9i s THR 177 Ca -0.08 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.07 2c9i s THR 177 Cb -0.16 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2c9i s THR 177 CO -0.00 0.19 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.85 2c9i s TYR 178 N -1.43 1.17 -0.05 3.99 1.51 -0.31 -1.40 117.35 120.84 2c9i s TYR 178 Ca 0.32 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 2c9i s TYR 178 Cb -0.13 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 2c9i s TYR 178 CO 0.24 -0.13 -0.02 0.21 -1.11 0.00 0.00 175.55 174.75 2c9i s LYS 179 N 0.19 0.64 0.05 -0.62 2.20 -0.15 -2.65 119.74 119.40 2c9i s LYS 179 Ca -0.04 0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.56 2c9i s LYS 179 Cb -0.10 -0.81 -0.04 0.00 -1.51 0.00 0.00 37.83 35.37 2c9i s LYS 179 CO 0.01 -0.17 0.23 0.45 -0.36 0.00 0.00 175.35 175.51 2c9i s SER 180 N 1.31 6.39 0.15 1.43 0.15 -1.26 -0.47 113.70 121.40 2c9i s SER 180 Ca -0.05 0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.91 2c9i s SER 180 Cb -0.13 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2c9i s SER 180 CO -0.02 0.19 1.38 0.11 1.20 0.00 0.00 173.24 176.09 2c9i h LYS 181 N 3.32 0.55 -6.21 5.44 1.57 -1.59 -3.45 116.57 116.21 2c9i h LYS 181 Ca -0.47 -0.46 -0.61 0.00 -1.87 0.00 0.00 60.65 57.25 2c9i h LYS 181 Cb 1.17 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 2c9i h LYS 181 CO 0.73 1.08 -0.59 0.15 -0.57 0.00 0.00 179.45 180.25 2c9i s LYS 182 N -3.65 2.84 0.10 3.15 -0.14 -1.26 -5.08 119.74 115.70 2c9i s LYS 182 Ca -0.07 -0.80 -0.31 0.00 -1.36 0.00 0.00 55.97 53.43 2c9i s LYS 182 Cb 0.10 -2.66 -0.07 0.00 -1.68 0.00 0.00 37.83 33.51 2c9i s LYS 182 CO 0.87 0.52 1.29 -2.00 -0.76 0.00 0.00 175.35 175.27 2c9i s GLU 183 N -2.71 4.38 0.16 1.68 2.12 -1.26 -5.00 118.70 118.07 2c9i s GLU 183 Ca 0.30 1.94 0.09 0.00 0.36 0.00 0.00 54.97 57.65 2c9i s GLU 183 Cb -0.11 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2c9i s GLU 183 CO 0.22 -0.33 -0.19 0.08 -0.54 0.00 0.00 175.26 174.50 2c9i s VAL 184 N 0.94 1.85 -0.28 3.70 1.01 -1.26 -5.09 120.40 121.27 2c9i s VAL 184 Ca 0.61 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 2c9i s VAL 184 Cb -0.34 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2c9i s VAL 184 CO 0.31 -0.27 1.34 -0.75 0.00 0.00 0.00 175.10 175.73 2c9i s LYS 185 N -2.68 3.92 0.16 2.72 2.36 -1.26 -5.00 119.74 119.96 2c9i s LYS 185 Ca 0.15 1.34 -0.30 0.00 -2.55 0.00 0.00 55.97 54.61 2c9i s LYS 185 Cb -0.06 -3.89 -0.07 0.00 -1.05 0.00 0.00 37.83 32.75 2c9i s LYS 185 CO 0.07 -1.12 0.97 -0.51 1.55 0.00 0.00 175.35 176.31 2c9i s LEU 186 N 4.43 4.55 0.84 5.43 1.02 -1.26 -4.71 118.68 128.97 2c9i s LEU 186 Ca 0.58 1.89 -0.12 0.00 0.02 0.00 0.00 54.13 56.50 2c9i s LEU 186 Cb -0.18 -3.60 0.10 0.00 0.02 0.00 0.00 46.19 42.53 2c9i s LEU 186 CO 0.23 -0.02 1.18 -2.16 0.02 0.00 0.00 176.35 175.61 2c9i s PRO 187 N -0.44 1.73 0.78 1.29 0.04 -1.26 -4.90 135.00 132.23 2c9i s PRO 187 Ca 0.45 0.11 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 2c9i s PRO 187 Cb -0.25 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.45 2c9i s PRO 187 CO 0.31 -1.76 1.12 -2.00 0.04 0.00 0.00 177.00 174.72 2c9i s GLU 188 N -5.55 1.93 0.22 4.56 2.56 -1.26 -4.57 118.70 116.59 2c9i s GLU 188 Ca 0.63 -0.12 -0.31 0.00 0.00 0.00 0.00 54.97 55.17 2c9i s GLU 188 Cb -0.11 -2.04 -0.11 0.00 2.00 0.00 0.00 34.13 33.86 2c9i s GLU 188 CO 0.50 -1.53 1.67 -1.17 -0.56 0.00 0.00 175.26 174.17 2c9i s LEU 189 N -5.46 4.37 0.00 2.70 0.20 -1.26 -4.81 118.68 114.41 2c9i s LEU 189 Ca 0.62 2.84 0.00 0.00 0.69 0.00 0.00 54.13 58.29 2c9i s LEU 189 Cb -0.10 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2c9i s LEU 189 CO 0.48 -0.93 0.00 0.00 -0.29 0.00 0.00 176.35 175.60 2c9i n HIS 190 N 3.61 -0.71 -4.23 5.38 1.44 -0.85 -4.93 115.22 114.93 2c9i n HIS 190 Ca 0.14 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.64 2c9i n HIS 190 Cb 0.36 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.35 2c9i n HIS 190 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2c9i s PHE 191 N -7.01 1.49 -0.15 -1.40 0.08 0.47 0.09 117.98 111.54 2c9i s PHE 191 Ca 0.00 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.58 2c9i s PHE 191 Cb 0.00 -0.82 -0.02 0.00 -0.57 0.00 0.00 43.02 41.61 2c9i s PHE 191 CO 0.00 0.13 -0.07 -1.01 -0.10 0.00 0.00 175.22 174.17 2c9i s HIS 192 N -1.28 2.95 -0.27 0.36 3.76 0.10 -0.80 115.29 120.11 2c9i s HIS 192 Ca 0.02 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.43 2c9i s HIS 192 Cb -0.10 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 2c9i s HIS 192 CO 0.03 -0.10 0.10 -1.01 -0.85 0.00 0.00 174.74 172.91 2c9i s HIS 193 N 0.37 3.13 0.13 1.40 0.09 0.66 -0.18 115.29 120.88 2c9i s HIS 193 Ca -0.06 -0.51 0.09 0.00 -0.00 0.00 0.00 55.06 54.58 2c9i s HIS 193 Cb -0.15 -2.28 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 2c9i s HIS 193 CO 0.04 -0.40 -0.17 -0.51 -0.00 0.00 0.00 174.74 173.70 2c9i s LEU 194 N 1.61 2.73 -0.21 0.89 2.01 0.48 -1.65 118.68 124.55 2c9i s LEU 194 Ca 0.05 -0.57 -0.04 0.00 0.01 0.00 0.00 54.13 53.59 2c9i s LEU 194 Cb -0.16 -1.55 0.10 0.00 0.01 0.00 0.00 46.19 44.59 2c9i s LEU 194 CO 0.05 0.17 0.29 -0.60 1.01 0.00 0.00 176.35 177.26 2c9i s ARG 195 N -2.26 0.25 -0.21 1.70 3.52 -0.82 -1.84 118.95 119.29 2c9i s ARG 195 Ca 0.19 0.43 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 2c9i s ARG 195 Cb -0.10 -0.73 0.00 0.00 -1.56 0.00 0.00 34.95 32.56 2c9i s ARG 195 CO 0.11 -0.59 -0.09 1.41 -0.81 0.00 0.00 175.30 175.33 2c9i s MET 196 N 2.43 3.23 -0.02 5.12 -2.45 -1.26 -2.00 119.30 124.35 2c9i s MET 196 Ca 0.08 -0.71 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 2c9i s MET 196 Cb -0.15 -2.88 0.00 0.00 1.25 0.00 0.00 34.83 33.05 2c9i s MET 196 CO -0.13 -0.21 -0.09 -1.21 1.05 0.00 0.00 175.02 174.43 2c9i s GLU 197 N 1.42 0.85 -0.35 4.11 2.02 0.73 -4.50 118.70 122.99 2c9i s GLU 197 Ca 0.05 -0.30 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 2c9i s GLU 197 Cb -0.14 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.29 2c9i s GLU 197 CO -0.06 0.13 0.93 0.15 0.02 0.00 0.00 175.26 176.43 2c9i s LYS 198 N 0.07 3.91 0.07 1.61 1.02 -1.26 -0.08 119.74 125.08 2c9i s LYS 198 Ca -0.01 0.68 0.13 0.00 0.02 0.00 0.00 55.97 56.79 2c9i s LYS 198 Cb -0.07 -3.77 -0.16 0.00 -0.52 0.00 0.00 37.83 33.31 2c9i s LYS 198 CO 0.00 -0.89 0.98 -0.07 -0.92 0.00 0.00 175.35 174.45 2c9i h LEU 199 N 9.96 0.00 -7.37 3.17 3.38 -1.22 -3.47 115.31 119.76 2c9i h LEU 199 Ca -0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 2c9i h LEU 199 Cb 1.08 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 2c9i h LEU 199 CO 0.97 0.82 -0.37 0.20 0.09 0.00 0.00 178.44 180.15 2c9i s ASN 200 N -6.22 -0.34 -0.19 -0.43 0.01 -1.16 -4.97 114.94 101.64 2c9i s ASN 200 Ca -0.01 0.65 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 2c9i s ASN 200 Cb 0.09 0.61 0.04 0.00 0.41 0.00 0.00 41.25 42.39 2c9i s ASN 200 CO 0.81 -0.13 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.53 2c9i s ILE 201 N 0.58 1.63 0.49 0.60 1.01 -1.26 -1.16 121.20 123.08 2c9i s ILE 201 Ca -0.03 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 2c9i s ILE 201 Cb -0.05 -1.67 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 2c9i s ILE 201 CO -0.03 0.23 1.24 -0.94 0.00 0.00 0.00 174.94 175.43 2c9i s SER 202 N 1.41 5.86 0.50 3.58 1.04 -0.01 -4.92 113.70 121.16 2c9i s SER 202 Ca -0.00 2.48 0.23 0.00 0.48 0.00 0.00 55.95 59.14 2c9i s SER 202 Cb -0.16 -2.62 1.30 0.00 0.10 0.00 0.00 66.02 64.65 2c9i s SER 202 CO -0.09 -1.14 2.04 0.44 0.98 0.00 0.00 173.24 175.48 2c9i h ASP 203 N 1.87 0.00 -0.20 7.02 5.19 -2.00 -2.64 116.42 125.67 2c9i h ASP 203 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2c9i h ASP 203 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2c9i h ASP 203 CO 0.59 0.15 0.00 -0.90 -3.12 0.00 0.00 179.24 175.96 2c9i n ASP 204 N -3.88 1.42 -1.35 6.45 3.85 -1.26 -4.92 116.55 116.86 2c9i n ASP 204 Ca -0.02 -1.80 -0.16 0.00 -0.71 0.00 0.00 54.79 52.10 2c9i n ASP 204 Cb 0.24 -0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 39.82 2c9i n ASP 204 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2c9i n TRP 205 N 0.20 -0.12 -0.06 2.11 7.02 -0.99 -4.88 117.44 120.72 2c9i n TRP 205 Ca 0.13 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.58 2c9i n TRP 205 Cb 0.26 -2.92 -0.13 0.00 -2.42 0.00 0.00 31.31 26.10 2c9i n TRP 205 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2c9i n LYS 206 N -2.53 1.21 -4.21 -0.99 4.76 -1.26 -4.71 118.16 110.43 2c9i n LYS 206 Ca -0.17 -0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.06 2c9i n LYS 206 Cb 0.56 -1.40 -0.13 0.00 -1.84 0.00 0.00 35.03 32.21 2c9i n LYS 206 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2c9i s THR 207 N -2.58 0.65 -0.17 -0.18 2.01 -1.26 -1.31 115.64 112.80 2c9i s THR 207 Ca -0.07 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 2c9i s THR 207 Cb 0.06 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 72.03 2c9i s THR 207 CO 0.66 -0.03 0.38 0.54 -0.69 0.00 0.00 174.62 175.48 2c9i s VAL 208 N -0.65 -0.29 -0.16 3.82 0.11 -0.28 -0.83 120.40 122.11 2c9i s VAL 208 Ca -0.01 0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 59.01 2c9i s VAL 208 Cb -0.06 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2c9i s VAL 208 CO 0.00 0.06 0.47 -0.70 -3.33 0.00 0.00 175.10 171.60 2c9i s GLU 209 N 1.94 4.25 -0.08 1.54 2.12 -0.31 -1.01 118.70 127.15 2c9i s GLU 209 Ca -0.05 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.68 2c9i s GLU 209 Cb -0.10 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.80 2c9i s GLU 209 CO -0.12 0.02 -0.18 -1.14 -0.54 0.00 0.00 175.26 173.31 2c9i s GLN 210 N 1.09 2.32 0.14 4.30 0.74 -0.20 -0.60 119.66 127.44 2c9i s GLN 210 Ca 0.23 -0.62 0.09 0.00 0.05 0.00 0.00 55.36 55.11 2c9i s GLN 210 Cb -0.15 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 2c9i s GLN 210 CO 0.09 0.09 -0.18 -1.58 -0.55 0.00 0.00 175.29 173.16 2c9i s HIS 211 N 0.54 2.50 -0.13 1.67 5.65 0.89 -0.52 115.29 125.89 2c9i s HIS 211 Ca -0.16 -0.28 -0.10 0.00 0.25 0.00 0.00 55.06 54.77 2c9i s HIS 211 Cb -0.17 -1.30 0.04 0.00 -1.18 0.00 0.00 32.58 29.97 2c9i s HIS 211 CO 0.06 0.42 0.33 -2.00 -0.65 0.00 0.00 174.74 172.90 2c9i s GLU 212 N -2.31 0.35 -0.04 2.88 2.12 -0.63 -0.19 118.70 120.87 2c9i s GLU 212 Ca 0.19 0.55 0.06 0.00 0.36 0.00 0.00 54.97 56.13 2c9i s GLU 212 Cb -0.10 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 2c9i s GLU 212 CO 0.11 -0.10 -0.23 -1.12 -0.54 0.00 0.00 175.26 173.38 2c9i s SER 213 N 0.68 2.78 -0.03 -1.70 0.01 -0.85 -1.37 113.70 113.22 2c9i s SER 213 Ca -0.04 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2c9i s SER 213 Cb -0.05 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.54 2c9i s SER 213 CO -0.04 0.24 -0.04 -0.69 0.41 0.00 0.00 173.24 173.11 2c9i s VAL 214 N -0.22 0.46 -0.12 3.43 1.01 0.19 -1.95 120.40 123.21 2c9i s VAL 214 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2c9i s VAL 214 Cb -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2c9i s VAL 214 CO 0.02 0.19 -0.15 -0.69 0.00 0.00 0.00 175.10 174.47 2c9i s VAL 215 N 0.64 1.50 -0.09 2.92 1.01 -0.66 -1.08 120.40 124.65 2c9i s VAL 215 Ca -0.08 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 2c9i s VAL 215 Cb -0.11 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2c9i s VAL 215 CO -0.00 0.44 0.28 0.00 0.00 0.00 0.00 175.10 175.82 2c9i s ALA 216 N 1.10 3.73 0.03 5.51 0.00 0.65 -0.24 121.76 132.54 2c9i s ALA 216 Ca -0.04 -0.44 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 2c9i s ALA 216 Cb -0.14 -2.25 0.09 0.00 0.00 0.00 0.00 23.12 20.82 2c9i s ALA 216 CO -0.04 0.40 0.80 0.45 0.00 0.00 0.00 175.76 177.38 2c9i s SER 217 N -0.57 -0.44 0.92 0.00 0.15 0.02 -4.32 113.70 109.46 2c9i s SER 217 Ca 0.18 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.76 2c9i s SER 217 Cb -0.14 0.45 0.14 0.00 -1.71 0.00 0.00 66.02 64.76 2c9i s SER 217 CO 0.07 -0.71 1.15 -0.31 1.20 0.00 0.00 173.24 174.64 2c9i s TYR 218 N -3.10 2.42 0.28 3.44 4.12 -1.26 -0.40 117.35 122.86 2c9i s TYR 218 Ca 0.03 0.81 -0.29 0.00 0.02 0.00 0.00 57.07 57.63 2c9i s TYR 218 Cb -0.01 -3.43 -0.10 0.00 -1.52 0.00 0.00 41.96 36.90 2c9i s TYR 218 CO -0.09 -2.40 1.40 0.45 0.02 0.00 0.00 175.55 174.93 2c9i s SER 219 N -4.09 6.67 0.00 2.29 0.15 -1.26 -4.87 113.70 112.59 2c9i s SER 219 Ca 0.64 2.70 0.28 0.00 0.70 0.00 0.00 55.95 60.27 2c9i s SER 219 Cb -0.14 -2.63 1.01 0.00 -1.71 0.00 0.00 66.02 62.55 2c9i s SER 219 CO 0.53 -0.66 1.72 0.00 1.20 0.00 0.00 173.24 176.04 2c9i n GLN 220 N 1.71 1.69 -2.81 5.44 1.13 -1.26 -4.86 117.38 118.41 2c9i n GLN 220 Ca 0.04 -1.00 -0.41 0.00 -1.94 0.00 0.00 57.00 53.69 2c9i n GLN 220 Cb 0.41 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.25 2c9i n GLN 220 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2c9i s VAL 221 N -1.99 4.90 0.56 5.09 0.11 -1.26 -5.01 120.40 122.80 2c9i s VAL 221 Ca 0.38 1.85 -0.19 0.00 -2.93 0.00 0.00 61.98 61.08 2c9i s VAL 221 Cb 0.21 -4.23 -0.06 0.00 -1.53 0.00 0.00 36.38 30.77 2c9i s VAL 221 CO 0.33 0.14 0.93 -2.65 -3.33 0.00 0.00 175.10 170.52 2c9i n PRO 222 N 4.24 0.95 -4.72 1.54 -0.02 -1.26 -5.02 135.00 130.70 2c9i n PRO 222 Ca 0.04 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 2c9i n PRO 222 Cb 0.50 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 2c9i n PRO 222 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2c9i s SER 223 N -1.14 4.36 0.22 2.55 0.15 -1.26 -5.00 113.70 113.58 2c9i s SER 223 Ca 0.72 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 57.48 2c9i s SER 223 Cb -0.44 -1.16 0.17 0.00 -1.71 0.00 0.00 66.02 62.87 2c9i s SER 223 CO 0.50 0.32 1.23 0.11 1.20 0.00 0.00 173.24 176.59 2c9i h LYS 224 N 5.58 0.00 -0.02 5.44 1.79 -1.95 -3.33 116.57 124.08 2c9i h LYS 224 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2c9i h LYS 224 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2c9i h LYS 224 CO 0.53 0.00 -0.18 1.28 -1.08 0.00 0.00 179.45 180.00 2c9i n LEU 225 N -2.59 2.28 -0.59 2.94 4.32 -1.26 -4.95 117.00 117.15 2c9i n LEU 225 Ca 0.02 -0.78 -0.06 0.00 -0.02 0.00 0.00 56.01 55.17 2c9i n LEU 225 Cb 0.51 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.29 2c9i n LEU 225 CO 0.38 0.39 -0.07 0.61 -1.22 0.00 0.00 177.39 177.48 2c9i n GLY 226 N 1.35 0.42 3.89 -0.72 0.00 -1.25 -5.04 105.19 103.84 2c9i n GLY 226 Ca 0.13 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2c9i n GLY 226 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2c9i s HIS 227 N -2.27 3.46 -2.00 1.61 5.04 -1.26 -5.08 115.29 114.80 2c9i s HIS 227 Ca 0.00 0.83 0.21 0.00 -1.54 0.00 0.00 55.06 54.56 2c9i s HIS 227 Cb 0.00 -2.25 1.24 0.00 0.04 0.00 0.00 32.58 31.61 2c9i s HIS 227 CO 0.00 0.11 1.63 0.09 -2.34 0.00 0.00 174.74 174.23