#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9i n PRO 3 N 0.00 0.54 -1.70 -0.72 -0.02 -1.26 -2.06 135.00 129.77 2c9i n PRO 3 Ca 0.00 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 2c9i n PRO 3 Cb 0.00 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2c9i n PRO 3 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c9i n SER 4 N 3.18 -5.26 -4.20 2.55 3.41 -1.26 -4.81 113.62 107.23 2c9i n SER 4 Ca 0.24 0.36 -0.35 0.00 -0.26 0.00 0.00 58.87 58.86 2c9i n SER 4 Cb 0.09 -4.38 -0.14 0.00 -0.26 0.00 0.00 64.21 59.52 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 -2.74 3.13 0.60 -1.33 -1.09 -0.87 -4.98 121.20 113.92 2c9i s ILE 5 Ca 0.00 -1.23 -0.02 0.00 -2.23 0.00 0.00 60.65 57.17 2c9i s ILE 5 Cb 0.00 -2.74 0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2c9i s ILE 5 CO 0.00 -0.04 0.85 -0.54 -1.23 0.00 0.00 174.94 173.98 2c9i s LYS 6 N 1.30 2.46 0.44 2.79 1.02 -1.26 -4.67 119.74 121.81 2c9i s LYS 6 Ca -0.03 -0.58 0.11 0.00 0.02 0.00 0.00 55.97 55.50 2c9i s LYS 6 Cb -0.19 -2.38 0.99 0.00 -0.52 0.00 0.00 37.83 35.73 2c9i s LYS 6 CO -0.01 -0.87 2.03 1.49 -0.92 0.00 0.00 175.35 177.07 2c9i h GLU 7 N -0.14 0.41 -4.53 1.68 4.57 -1.99 -3.40 114.58 111.17 2c9i h GLU 7 Ca -0.43 -0.02 -0.53 0.00 -1.18 0.00 0.00 59.36 57.20 2c9i h GLU 7 Cb 1.30 -0.09 -0.34 0.00 -0.16 0.00 0.00 28.75 29.46 2c9i h GLU 7 CO 0.55 0.27 -0.82 -0.08 -1.18 0.00 0.00 179.01 177.76 2c9i s THR 8 N -5.39 1.17 0.13 0.32 -1.32 -1.26 -3.98 115.64 105.31 2c9i s THR 8 Ca -0.08 -0.48 0.11 0.00 -1.21 0.00 0.00 61.69 60.04 2c9i s THR 8 Cb 0.18 -1.09 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2c9i s THR 8 CO 0.73 0.37 -0.27 -0.04 -2.21 0.00 0.00 174.62 173.21 2c9i s MET 9 N 0.85 1.41 0.12 7.08 -1.94 -0.54 -4.98 119.30 121.30 2c9i s MET 9 Ca -0.11 -1.36 -0.00 0.00 -1.71 0.00 0.00 55.69 52.51 2c9i s MET 9 Cb -0.15 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 2c9i s MET 9 CO 0.01 0.45 0.28 1.03 -0.01 0.00 0.00 175.02 176.78 2c9i s ARG 10 N -2.10 3.48 -0.06 2.03 0.52 -0.17 -1.69 118.95 120.95 2c9i s ARG 10 Ca 0.15 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2c9i s ARG 10 Cb -0.10 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.41 2c9i s ARG 10 CO 0.06 0.53 -0.16 0.08 0.02 0.00 0.00 175.30 175.83 2c9i s VAL 11 N -1.65 1.43 -0.11 3.52 1.01 0.46 -0.07 120.40 124.98 2c9i s VAL 11 Ca 0.36 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2c9i s VAL 11 Cb -0.12 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2c9i s VAL 11 CO 0.28 0.42 -0.17 -1.58 0.00 0.00 0.00 175.10 174.05 2c9i s GLN 12 N 0.32 2.36 0.02 2.72 0.74 -0.33 -2.16 119.66 123.32 2c9i s GLN 12 Ca -0.10 -0.61 0.04 0.00 0.05 0.00 0.00 55.36 54.73 2c9i s GLN 12 Cb -0.14 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 2c9i s GLN 12 CO 0.04 -0.04 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.45 2c9i s LEU 13 N 0.93 2.11 -0.01 3.68 0.20 0.04 0.04 118.68 125.67 2c9i s LEU 13 Ca -0.07 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.43 2c9i s LEU 13 Cb -0.15 -0.50 -0.00 0.00 -0.43 0.00 0.00 46.19 45.11 2c9i s LEU 13 CO -0.01 0.04 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.08 2c9i s SER 14 N -0.78 0.87 -0.01 3.68 1.04 -0.38 -0.47 113.70 117.65 2c9i s SER 14 Ca 0.01 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.32 2c9i s SER 14 Cb -0.06 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2c9i s SER 14 CO 0.00 0.07 -0.03 -0.32 0.98 0.00 0.00 173.24 173.94 2c9i s MET 15 N -0.02 0.35 0.04 4.02 0.00 0.11 -0.44 119.30 123.36 2c9i s MET 15 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 55.69 55.55 2c9i s MET 15 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 34.83 34.41 2c9i s MET 15 CO -0.00 0.05 0.06 -1.83 0.00 0.00 0.00 175.02 173.29 2c9i s GLU 16 N 0.10 0.58 0.00 4.11 -1.05 -0.88 0.04 118.70 121.61 2c9i s GLU 16 Ca -0.01 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2c9i s GLU 16 Cb -0.04 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2c9i s GLU 16 CO -0.00 -0.14 0.00 0.41 0.95 0.00 0.00 175.26 176.48 2c9i n GLY 17 N 0.62 0.06 3.25 -3.83 0.00 -1.02 -1.32 105.19 102.95 2c9i n GLY 17 Ca -0.18 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.23 -0.07 1.61 1.04 -0.88 -1.01 113.70 110.16 2c9i s SER 18 Ca 0.00 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.63 2c9i s SER 18 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2c9i s SER 18 CO 0.00 -0.41 -0.06 -0.69 0.98 0.00 0.00 173.24 173.06 2c9i s VAL 19 N -1.12 0.73 -0.99 5.02 1.01 -0.64 -0.37 120.40 124.03 2c9i s VAL 19 Ca -0.12 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 2c9i s VAL 19 Cb -0.05 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2c9i s VAL 19 CO 0.04 0.29 0.68 0.59 0.00 0.00 0.00 175.10 176.69 2c9i n ASN 20 N 4.37 -5.09 0.00 3.32 5.03 -0.40 -1.86 115.26 120.64 2c9i n ASN 20 Ca -0.19 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.29 2c9i n ASN 20 Cb 0.51 -2.42 0.00 0.00 -1.02 0.00 0.00 39.78 36.84 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 -3.52 0.00 -3.63 3.10 4.02 -1.26 -4.96 117.16 110.91 2c9i n TYR 21 Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.31 2c9i n TYR 21 Cb 0.62 -0.51 -0.11 0.00 -0.02 0.00 0.00 39.34 39.31 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 -2.31 3.24 0.34 -0.72 2.46 -0.78 -5.08 115.29 112.44 2c9i s HIS 22 Ca 0.00 -0.98 -0.18 0.00 0.47 0.00 0.00 55.06 54.36 2c9i s HIS 22 Cb 0.00 -2.41 -0.10 0.00 -0.13 0.00 0.00 32.58 29.95 2c9i s HIS 22 CO 0.00 -0.64 0.82 0.00 -2.47 0.00 0.00 174.74 172.45 2c9i s ALA 23 N 1.54 3.24 0.20 1.58 0.00 -1.26 -1.62 121.76 125.44 2c9i s ALA 23 Ca 0.02 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 2c9i s ALA 23 Cb -0.19 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.04 2c9i s ALA 23 CO 0.06 0.26 0.57 -0.59 0.00 0.00 0.00 175.76 176.06 2c9i s PHE 24 N -1.94 -0.20 0.01 0.00 -0.12 -0.18 -4.43 117.98 111.12 2c9i s PHE 24 Ca 0.54 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 2c9i s PHE 24 Cb -0.12 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 2c9i s PHE 24 CO 0.17 -0.96 -0.02 0.15 -0.05 0.00 0.00 175.22 174.52 2c9i s LYS 25 N -3.86 0.14 0.05 1.99 1.02 -0.44 -2.43 119.74 116.20 2c9i s LYS 25 Ca 0.08 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 55.90 2c9i s LYS 25 Cb -0.02 -0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 2c9i s LYS 25 CO -0.03 0.00 -0.08 0.00 -0.92 0.00 0.00 175.35 174.33 2c9i s THR 27 N -1.83 0.92 -0.04 0.00 -4.23 -0.74 0.08 115.64 109.80 2c9i s THR 27 Ca -0.06 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2c9i s THR 27 Cb -0.07 -1.01 0.02 0.00 1.34 0.00 0.00 72.50 72.78 2c9i s THR 27 CO -0.01 -0.34 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.83 2c9i s GLY 28 N -1.85 0.55 -0.13 3.99 0.00 0.37 -1.67 107.32 108.57 2c9i s GLY 28 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.52 2c9i s GLY 28 CO 0.01 0.24 -0.21 0.54 0.00 0.00 0.00 173.10 173.68 2c9i s LYS 29 N 0.68 3.05 0.17 2.90 1.02 -0.64 -0.78 119.74 126.14 2c9i s LYS 29 Ca -0.11 -0.84 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 2c9i s LYS 29 Cb -0.14 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2c9i s LYS 29 CO 0.01 0.03 0.40 0.41 -0.92 0.00 0.00 175.35 175.28 2c9i n GLY 30 N 3.97 1.41 3.51 -3.33 0.00 -0.92 -0.09 105.19 109.73 2c9i n GLY 30 Ca -0.20 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2c9i n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c9i n GLU 31 N -0.27 0.86 0.00 1.61 0.00 -0.96 -0.41 120.64 121.47 2c9i n GLU 31 Ca -0.04 -2.59 0.00 0.00 0.00 0.00 0.00 57.16 54.53 2c9i n GLU 31 Cb 0.28 2.72 0.00 0.00 0.00 0.00 0.00 31.44 34.45 2c9i n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2c9i n GLY 32 N -0.56 -0.38 3.15 -1.84 0.00 -0.68 -0.98 105.19 103.90 2c9i n GLY 32 Ca -0.03 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 2c9i n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9i s LYS 33 N -2.00 2.17 0.28 1.61 -0.14 0.23 -1.47 119.74 120.43 2c9i s LYS 33 Ca 0.00 -1.75 -0.04 0.00 -1.36 0.00 0.00 55.97 52.83 2c9i s LYS 33 Cb 0.00 -3.64 0.37 0.00 -1.68 0.00 0.00 37.83 32.88 2c9i s LYS 33 CO 0.00 -1.06 1.95 -1.35 -0.76 0.00 0.00 175.35 174.13 2c9i h PRO 34 N 8.16 1.18 0.00 -1.68 0.11 -1.78 0.21 132.00 138.20 2c9i h PRO 34 Ca -0.16 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.72 2c9i h PRO 34 Cb 1.06 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2c9i h PRO 34 CO 0.73 0.78 -0.78 1.88 -0.21 0.00 0.00 178.00 180.40 2c9i h TYR 35 N 1.22 0.00 0.00 0.65 -1.99 -1.83 -2.81 116.97 112.21 2c9i h TYR 35 Ca 0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.07 2c9i h TYR 35 Cb -0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.61 2c9i h TYR 35 CO -0.00 0.78 -0.35 0.93 -0.00 0.00 0.00 178.16 179.52 2c9i h GLU 36 N 0.00 0.00 0.00 4.88 5.08 -1.79 -3.40 114.58 119.35 2c9i h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2c9i h GLU 36 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2c9i h GLU 36 CO 0.10 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 2c9i n GLY 37 N 1.17 0.53 3.45 -3.84 0.00 0.69 -4.49 105.19 102.70 2c9i n GLY 37 Ca 0.03 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 2.61 0.04 2.61 -4.23 -0.89 -0.86 115.64 112.91 2c9i s THR 38 Ca 0.00 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 2c9i s THR 38 Cb 0.00 -2.20 0.06 0.00 1.34 0.00 0.00 72.50 71.70 2c9i s THR 38 CO 0.00 0.05 0.56 0.00 -0.54 0.00 0.00 174.62 174.69 2c9i s GLN 39 N -2.24 1.06 0.04 3.99 -2.07 -0.71 -0.60 119.66 119.13 2c9i s GLN 39 Ca 0.17 -0.16 0.04 0.00 -1.82 0.00 0.00 55.36 53.60 2c9i s GLN 39 Cb -0.10 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 2c9i s GLN 39 CO 0.09 -0.38 -0.12 0.45 -1.32 0.00 0.00 175.29 174.01 2c9i s SER 40 N -1.88 1.45 -0.03 12.60 0.15 -0.15 -1.77 113.70 124.06 2c9i s SER 40 Ca -0.06 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 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 -0.00 -0.01 0.04 -0.22 1.20 0.00 0.00 173.24 174.25 2c9i s LEU 41 N -1.15 0.58 -0.44 3.45 2.96 0.13 -2.26 118.68 121.95 2c9i s LEU 41 Ca -0.00 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.76 2c9i s LEU 41 Cb -0.08 -0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.49 2c9i s LEU 41 CO 0.01 -0.19 0.57 0.20 -1.32 0.00 0.00 176.35 175.62 2c9i s ASN 42 N 1.68 6.27 -0.25 3.68 0.01 0.87 -1.06 114.94 126.15 2c9i s ASN 42 Ca -0.01 -0.51 -0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2c9i s ASN 42 Cb -0.12 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2c9i s ASN 42 CO -0.03 -0.72 0.09 -0.63 -1.51 0.00 0.00 177.10 174.30 2c9i s ILE 43 N 2.57 4.54 -0.13 0.60 1.01 -0.11 -1.62 121.20 128.06 2c9i s ILE 43 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 2c9i s ILE 43 Cb -0.16 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2c9i s ILE 43 CO 0.17 0.34 -0.05 0.28 0.00 0.00 0.00 174.94 175.67 2c9i s THR 44 N 1.47 3.78 -0.55 2.92 -1.32 -0.67 -0.80 115.64 120.47 2c9i s THR 44 Ca 0.06 -0.41 -0.23 0.00 -1.21 0.00 0.00 61.69 59.89 2c9i s THR 44 Cb -0.15 -2.62 0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2c9i s THR 44 CO 0.05 0.53 0.90 -0.63 -2.21 0.00 0.00 174.62 173.25 2c9i s ILE 45 N -0.01 4.46 0.02 5.08 1.01 0.42 -1.79 121.20 130.39 2c9i s ILE 45 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.85 2c9i s ILE 45 Cb -0.13 -4.51 -0.24 0.00 0.01 0.00 0.00 42.46 37.59 2c9i s ILE 45 CO 0.03 -1.08 0.92 0.71 0.00 0.00 0.00 174.94 175.52 2c9i h THR 46 N 5.99 1.22 -3.91 2.92 1.35 -1.46 -3.46 112.91 115.57 2c9i h THR 46 Ca -0.26 -2.96 -0.30 0.00 -0.55 0.00 0.00 66.41 62.34 2c9i h THR 46 Cb 1.08 2.66 -0.26 0.00 -1.73 0.00 0.00 68.15 69.90 2c9i h THR 46 CO 1.07 0.76 -0.74 -1.61 -0.25 0.00 0.00 175.52 174.75 2c9i s GLU 47 N -2.64 0.41 0.00 4.72 2.02 -1.04 -4.86 118.70 117.31 2c9i s GLU 47 Ca -0.04 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2c9i s GLU 47 Cb 0.08 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.99 2c9i s GLU 47 CO 0.83 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.60 2c9i n GLY 48 N 2.52 1.25 7.00 -1.39 0.00 -1.26 -1.33 105.19 111.97 2c9i n GLY 48 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.71 1.20 3.70 -0.02 0.00 -1.26 -4.15 105.19 102.94 2c9i n GLY 49 Ca 0.00 -0.50 -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 -4.14 0.00 0.00 0.00 173.32 169.18 2c9i s PRO 50 N 0.00 4.40 0.24 1.61 0.02 -1.26 -4.91 135.00 135.09 2c9i s PRO 50 Ca 0.00 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.38 2c9i s PRO 50 Cb 0.00 -3.48 -0.11 0.00 0.02 0.00 0.00 34.50 30.93 2c9i s PRO 50 CO 0.00 -0.35 1.62 -0.51 -0.33 0.00 0.00 177.00 177.43 2c9i s LEU 51 N 1.74 4.36 0.00 -5.54 1.02 -1.26 -4.91 118.68 114.09 2c9i s LEU 51 Ca 0.56 2.85 0.27 0.00 0.02 0.00 0.00 54.13 57.83 2c9i s LEU 51 Cb -0.26 -3.62 1.17 0.00 0.02 0.00 0.00 46.19 43.51 2c9i s LEU 51 CO 0.25 -0.90 1.87 -0.81 0.02 0.00 0.00 176.35 176.78 2c9i n PRO 52 N 3.07 0.02 -4.26 1.29 -0.04 -1.26 -4.81 135.00 129.00 2c9i n PRO 52 Ca 0.11 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 2c9i n PRO 52 Cb 0.37 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.98 2.59 0.14 0.54 -0.12 -1.26 -4.58 117.98 112.31 2c9i s PHE 53 Ca 0.14 -0.46 -0.31 0.00 -0.05 0.00 0.00 56.93 56.24 2c9i s PHE 53 Cb 0.18 -1.62 -0.10 0.00 -0.63 0.00 0.00 43.02 40.84 2c9i s PHE 53 CO 0.49 0.39 1.71 0.00 -0.05 0.00 0.00 175.22 177.76 2c9i s ALA 54 N -2.52 3.79 0.53 1.99 0.00 0.21 -4.89 121.76 120.88 2c9i s ALA 54 Ca 0.37 1.41 0.19 0.00 0.00 0.00 0.00 51.96 53.92 2c9i s ALA 54 Cb 0.01 -3.70 1.37 0.00 0.00 0.00 0.00 23.12 20.80 2c9i s ALA 54 CO 0.21 -1.03 2.16 0.35 0.00 0.00 0.00 175.76 177.45 2c9i h PHE 55 N 7.73 0.00 -0.74 0.00 3.04 -1.92 -3.07 116.94 121.97 2c9i h PHE 55 Ca -0.44 0.00 0.20 0.00 3.98 0.00 0.00 57.97 61.72 2c9i h PHE 55 Cb 1.21 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 2c9i h PHE 55 CO 0.72 0.01 0.53 -0.44 -2.02 0.00 0.00 178.31 177.11 2c9i h ASP 56 N 0.00 0.07 0.29 0.41 3.32 -1.96 -0.97 116.42 117.58 2c9i h ASP 56 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2c9i h ASP 56 Cb 0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2c9i h ASP 56 CO 0.00 0.03 0.00 2.30 -1.72 0.00 0.00 179.24 179.85 2c9i n ILE 57 N -4.35 0.25 0.30 0.35 -5.35 -1.16 -2.42 119.36 106.98 2c9i n ILE 57 Ca 0.15 0.06 0.07 0.00 -0.27 0.00 0.00 62.75 62.76 2c9i n ILE 57 Cb 0.77 -0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 37.85 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 -1.21 0.30 -0.27 7.28 4.77 -0.37 -4.71 117.00 122.80 2c9i n LEU 58 Ca 0.12 -0.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.89 2c9i n LEU 58 Cb 0.14 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 2c9i n LEU 58 CO 0.15 0.08 1.11 0.28 -1.33 0.00 0.00 177.39 177.67 2c9i h SER 59 N 0.00 0.58 0.00 -1.43 0.02 -1.50 -1.26 113.55 109.97 2c9i h SER 59 Ca 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2c9i h SER 59 Cb 0.51 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2c9i h SER 59 CO 0.00 0.33 -0.03 0.45 -1.14 0.00 0.00 176.83 176.44 2c9i h HIS 60 N 0.71 0.09 0.00 3.45 3.86 -1.84 -2.67 115.15 118.74 2c9i h HIS 60 Ca 0.37 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.45 2c9i h HIS 60 Cb 0.35 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2c9i h HIS 60 CO -0.08 0.13 -0.70 0.00 0.86 0.00 0.00 177.93 178.14 2c9i h ALA 61 N 1.88 0.63 0.00 2.45 0.00 -1.56 -3.46 119.26 119.20 2c9i h ALA 61 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2c9i h ALA 61 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2c9i h ALA 61 CO 0.00 0.74 0.00 1.19 0.00 0.00 0.00 179.25 181.19 2c9i n PHE 62 N -3.19 0.00 0.00 0.00 3.72 -1.01 -4.99 117.46 111.99 2c9i n PHE 62 Ca 0.00 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 2c9i n PHE 62 Cb 0.78 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.97 0.00 1.60 4.37 5.41 -1.26 -5.11 119.36 125.34 2c9i n ILE 66 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2c9i n ILE 66 Cb 0.33 0.00 0.30 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.80 -0.19 0.38 4.76 -1.26 -2.52 118.16 120.13 2c9i n LYS 67 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2c9i n LYS 67 Cb 0.00 -1.20 0.18 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.23 -1.32 -0.18 2.07 -1.95 -3.32 116.25 112.78 2c9i h VAL 68 Ca 0.00 -0.69 -0.71 0.00 0.82 0.00 0.00 66.70 66.12 2c9i h VAL 68 Cb 0.00 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 30.09 2c9i h VAL 68 CO 0.00 0.28 1.94 0.49 0.02 0.00 0.00 177.57 180.30 2c9i n PHE 69 N -4.31 4.66 -3.72 1.57 3.01 -1.05 -4.67 117.46 112.96 2c9i n PHE 69 Ca 0.06 -3.04 -0.12 0.00 1.01 0.00 0.00 57.45 55.36 2c9i n PHE 69 Cb 0.16 -2.44 -0.13 0.00 -0.01 0.00 0.00 39.48 37.07 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 3.05 -0.67 -0.37 4.37 0.00 -1.07 -4.43 121.76 122.64 2c9i s ALA 70 Ca 0.49 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2c9i s ALA 70 Cb 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2c9i s ALA 70 CO 0.04 -0.25 1.36 0.21 0.00 0.00 0.00 175.76 177.12 2c9i s LYS 71 N 1.39 3.71 -0.10 0.00 2.20 -0.22 -4.53 119.74 122.18 2c9i s LYS 71 Ca -0.09 1.04 -0.00 0.00 -0.36 0.00 0.00 55.97 56.56 2c9i s LYS 71 Cb -0.10 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2c9i s LYS 71 CO -0.09 -1.40 -0.09 0.71 -0.36 0.00 0.00 175.35 174.12 2c9i s TYR 72 N 5.01 2.89 0.68 4.03 1.51 -1.26 -0.55 117.35 129.66 2c9i s TYR 72 Ca 0.59 -0.24 -0.13 0.00 -1.01 0.00 0.00 57.07 56.28 2c9i s TYR 72 Cb -0.15 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2c9i s TYR 72 CO 0.29 0.09 1.08 -1.25 -1.11 0.00 0.00 175.55 174.65 2c9i s PRO 73 N -0.24 2.82 0.42 -1.71 0.04 -1.26 -4.95 135.00 130.12 2c9i s PRO 73 Ca 0.03 1.16 0.13 0.00 0.04 0.00 0.00 61.00 62.35 2c9i s PRO 73 Cb -0.13 -1.97 0.99 0.00 0.04 0.00 0.00 34.50 33.43 2c9i s PRO 73 CO 0.03 -1.20 1.94 -0.22 0.04 0.00 0.00 177.00 177.59 2c9i h LYS 74 N -0.40 0.46 0.00 4.56 3.11 -1.99 -2.95 116.57 119.35 2c9i h LYS 74 Ca -0.45 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2c9i h LYS 74 Cb 1.22 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 2c9i h LYS 74 CO 0.55 0.31 0.00 1.05 -2.81 0.00 0.00 179.45 178.55 2c9i h GLU 75 N 0.48 0.00 -5.07 1.90 9.09 -2.03 -3.44 114.58 115.51 2c9i h GLU 75 Ca 0.34 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 59.09 2c9i h GLU 75 Cb 0.66 0.00 -0.28 0.00 -1.65 0.00 0.00 28.75 27.47 2c9i h GLU 75 CO -0.11 0.00 -0.74 0.42 0.05 0.00 0.00 179.01 178.63 2c9i s ILE 76 N -3.12 3.17 0.13 -1.06 1.01 -1.12 -5.04 121.20 115.17 2c9i s ILE 76 Ca 0.10 -0.57 -0.34 0.00 0.00 0.00 0.00 60.65 59.84 2c9i s ILE 76 Cb 0.11 -2.41 -0.14 0.00 0.01 0.00 0.00 42.46 40.03 2c9i s ILE 76 CO 0.60 0.46 1.58 -2.65 0.00 0.00 0.00 174.94 174.92 2c9i n PRO 77 N 4.52 2.06 -3.12 2.79 -0.02 -1.26 -4.69 135.00 135.28 2c9i n PRO 77 Ca -0.18 0.74 -0.45 0.00 -2.02 0.00 0.00 63.50 61.59 2c9i n PRO 77 Cb 0.51 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.11 6.58 0.27 2.55 3.68 -1.26 -4.44 116.67 125.15 2c9i s ASP 78 Ca 0.80 -2.14 -0.01 0.00 2.13 0.00 0.00 52.55 53.33 2c9i s ASP 78 Cb -0.71 -2.31 0.53 0.00 -1.45 0.00 0.00 42.92 38.99 2c9i s ASP 78 CO 0.40 -0.90 1.78 0.15 0.13 0.00 0.00 175.17 176.73 2c9i h PHE 79 N 8.52 0.87 -0.07 -5.34 3.04 -1.92 -2.13 116.94 119.91 2c9i h PHE 79 Ca 0.04 0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.79 2c9i h PHE 79 Cb 1.04 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.32 2c9i h PHE 79 CO 1.04 0.25 -0.84 0.74 -2.02 0.00 0.00 178.31 177.49 2c9i h PHE 80 N 0.72 0.98 -0.10 0.41 -1.00 -1.91 -1.19 116.94 114.85 2c9i h PHE 80 Ca 0.47 -0.48 -0.14 0.00 2.81 0.00 0.00 57.97 60.63 2c9i h PHE 80 Cb 0.61 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 2c9i h PHE 80 CO -0.06 1.31 -0.53 0.87 -1.61 0.00 0.00 178.31 178.28 2c9i h LYS 81 N 0.37 0.28 -0.50 1.51 1.57 -1.85 -2.52 116.57 115.44 2c9i h LYS 81 Ca -0.08 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 2c9i h LYS 81 Cb 1.49 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 2c9i h LYS 81 CO 0.17 0.75 -0.18 1.96 -0.57 0.00 0.00 179.45 181.57 2c9i h GLN 82 N 0.22 1.00 0.00 3.15 4.20 -1.34 -3.30 115.11 119.03 2c9i h GLN 82 Ca 0.00 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 2c9i h GLN 82 Cb 1.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 2c9i h GLN 82 CO 0.08 1.09 -0.12 0.77 -0.67 0.00 0.00 178.83 179.98 2c9i h SER 83 N 0.86 0.00 0.02 1.46 0.02 -1.13 -3.39 113.55 111.39 2c9i h SER 83 Ca 0.12 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2c9i h SER 83 Cb 0.76 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 2c9i h SER 83 CO 0.06 0.11 -0.14 0.25 -1.14 0.00 0.00 176.83 175.98 2c9i h LEU 84 N 0.00 -0.40 -0.62 5.07 6.46 -1.53 0.13 115.31 124.42 2c9i h LEU 84 Ca -0.00 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.91 2c9i h LEU 84 Cb 1.09 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 41.11 2c9i h LEU 84 CO 0.01 -0.20 0.25 -0.65 -0.62 0.00 0.00 178.44 177.24 2c9i h PRO 85 N -0.24 0.43 0.00 5.25 0.11 -1.80 -1.15 132.00 134.59 2c9i h PRO 85 Ca 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2c9i h PRO 85 Cb 0.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2c9i h PRO 85 CO -0.12 0.28 -0.19 0.78 -0.21 0.00 0.00 178.00 178.54 2c9i h GLY 86 N 0.44 0.00 0.00 -0.55 0.00 -1.81 -3.43 103.07 97.72 2c9i h GLY 86 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2c9i h GLY 86 CO -0.29 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.86 2c9i n GLY 87 N 1.21 1.73 3.43 4.60 0.00 0.43 -4.66 105.19 111.93 2c9i n GLY 87 Ca 0.04 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.26 0.32 0.09 1.61 -0.12 -0.85 -1.61 117.98 115.15 2c9i s PHE 88 Ca 0.00 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.24 2c9i s PHE 88 Cb 0.00 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2c9i s PHE 88 CO 0.00 -0.82 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.14 2c9i s SER 89 N -2.97 1.28 0.04 1.98 0.01 0.71 -0.34 113.70 114.41 2c9i s SER 89 Ca 0.18 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.66 2c9i s SER 89 Cb 0.02 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 2c9i s SER 89 CO 0.02 -0.29 -0.07 -1.66 0.41 0.00 0.00 173.24 171.65 2c9i s TRP 90 N -2.47 0.64 0.02 2.43 1.48 -0.76 -1.07 118.94 119.21 2c9i s TRP 90 Ca 0.04 -0.54 0.02 0.00 -1.06 0.00 0.00 56.10 54.55 2c9i s TRP 90 Cb -0.03 -0.39 -0.01 0.00 -1.16 0.00 0.00 33.47 31.88 2c9i s TRP 90 CO -0.01 -0.11 -0.07 -1.21 -4.06 0.00 0.00 176.95 171.50 2c9i s GLU 91 N -1.77 0.51 -0.02 3.25 2.02 -0.53 -0.62 118.70 121.53 2c9i s GLU 91 Ca -0.09 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 2c9i s GLU 91 Cb -0.09 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.75 2c9i s GLU 91 CO -0.00 0.09 0.06 0.50 0.02 0.00 0.00 175.26 175.94 2c9i s ARG 92 N -0.82 0.15 -0.16 1.61 3.52 -0.09 -0.07 118.95 123.09 2c9i s ARG 92 Ca -0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 2c9i s ARG 92 Cb -0.06 0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 2c9i s ARG 92 CO 0.00 -0.02 -0.13 0.08 -0.81 0.00 0.00 175.30 174.42 2c9i s VAL 93 N -0.27 2.89 -0.27 7.11 1.01 -0.74 -1.54 120.40 128.60 2c9i s VAL 93 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2c9i s VAL 93 Cb -0.02 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.15 2c9i s VAL 93 CO 0.00 0.50 -0.04 -0.44 0.00 0.00 0.00 175.10 175.12 2c9i s SER 94 N 0.86 4.55 -0.30 3.32 0.01 -0.11 -1.62 113.70 120.42 2c9i s SER 94 Ca -0.04 -1.03 -0.05 0.00 1.31 0.00 0.00 55.95 56.14 2c9i s SER 94 Cb -0.15 -1.68 0.02 0.00 0.21 0.00 0.00 66.02 64.42 2c9i s SER 94 CO -0.00 -0.18 0.05 -0.89 0.41 0.00 0.00 173.24 172.63 2c9i s THR 95 N 1.29 3.62 0.33 1.44 2.01 0.07 -0.54 115.64 123.85 2c9i s THR 95 Ca -0.02 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 2c9i s THR 95 Cb -0.18 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 2c9i s THR 95 CO -0.03 0.02 0.76 -0.31 -0.69 0.00 0.00 174.62 174.37 2c9i s TYR 96 N 1.42 3.38 0.37 4.92 2.02 0.62 -0.64 117.35 129.44 2c9i s TYR 96 Ca 0.00 1.28 0.39 0.00 -0.37 0.00 0.00 57.07 58.37 2c9i s TYR 96 Cb -0.18 -2.58 1.88 0.00 -0.40 0.00 0.00 41.96 40.69 2c9i s TYR 96 CO 0.01 0.09 2.17 1.05 -1.57 0.00 0.00 175.55 177.30 2c9i h GLU 97 N 2.29 0.00 -0.01 -0.62 4.11 -1.64 -2.60 114.58 116.11 2c9i h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2c9i h GLU 97 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2c9i h GLU 97 CO 0.65 0.00 -0.58 -0.40 0.07 0.00 0.00 179.01 178.75 2c9i n ASP 98 N -3.09 1.61 0.00 3.06 3.85 -1.26 -4.98 116.55 115.74 2c9i n ASP 98 Ca -0.01 -1.27 0.00 0.00 -0.71 0.00 0.00 54.79 52.80 2c9i n ASP 98 Cb 0.19 0.55 0.00 0.00 -1.35 0.00 0.00 41.12 40.51 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 1.43 1.05 3.76 6.12 0.00 -0.98 -4.69 105.19 111.88 2c9i n GLY 99 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.73 3.07 -0.11 -0.02 0.00 -1.20 -4.49 107.32 103.83 2c9i s GLY 100 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.64 2c9i s GLY 100 CO 0.00 1.52 -0.09 0.14 0.00 0.00 0.00 173.10 174.67 2c9i s VAL 101 N -1.16 1.11 -0.29 1.40 1.01 -0.83 -0.28 120.40 121.37 2c9i s VAL 101 Ca 0.45 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2c9i s VAL 101 Cb -0.32 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2c9i s VAL 101 CO 0.42 0.38 0.02 -0.22 0.00 0.00 0.00 175.10 175.69 2c9i s LEU 102 N 1.49 3.73 -0.13 3.92 1.98 0.29 -1.98 118.68 127.98 2c9i s LEU 102 Ca 0.01 -0.99 -0.07 0.00 -2.89 0.00 0.00 54.13 50.19 2c9i s LEU 102 Cb -0.13 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.91 2c9i s LEU 102 CO -0.06 -0.21 0.14 -0.44 -1.89 0.00 0.00 176.35 173.88 2c9i s SER 103 N 1.36 6.36 -0.02 3.68 0.01 0.55 -0.93 113.70 124.70 2c9i s SER 103 Ca -0.01 0.45 -0.06 0.00 1.31 0.00 0.00 55.95 57.63 2c9i s SER 103 Cb -0.18 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2c9i s SER 103 CO -0.01 0.39 0.14 0.00 0.41 0.00 0.00 173.24 174.17 2c9i s ALA 104 N -0.92 -0.33 0.02 1.44 0.00 -0.59 -0.02 121.76 121.37 2c9i s ALA 104 Ca 0.14 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2c9i s ALA 104 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2c9i s ALA 104 CO 0.04 -0.15 -0.06 -0.08 0.00 0.00 0.00 175.76 175.50 2c9i s THR 105 N -0.79 0.42 -0.08 0.00 -1.32 -0.32 -0.91 115.64 112.64 2c9i s THR 105 Ca -0.09 -0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 59.63 2c9i s THR 105 Cb -0.05 -0.44 0.02 0.00 -1.51 0.00 0.00 72.50 70.52 2c9i s THR 105 CO 0.01 -0.17 0.28 -1.58 -2.21 0.00 0.00 174.62 170.94 2c9i s GLN 106 N -0.90 0.40 -0.09 7.08 -0.44 0.21 -0.73 119.66 125.19 2c9i s GLN 106 Ca -0.05 0.23 0.03 0.00 -2.50 0.00 0.00 55.36 53.07 2c9i s GLN 106 Cb -0.06 0.19 -0.01 0.00 -1.64 0.00 0.00 33.01 31.48 2c9i s GLN 106 CO 0.00 -0.07 -0.18 -1.21 0.50 0.00 0.00 175.29 174.33 2c9i s GLU 107 N -0.21 2.91 -0.09 1.67 2.02 -0.51 -1.82 118.70 122.67 2c9i s GLU 107 Ca -0.03 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.22 2c9i s GLU 107 Cb -0.03 -2.39 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 2c9i s GLU 107 CO 0.01 0.34 -0.24 0.99 0.02 0.00 0.00 175.26 176.39 2c9i s THR 108 N -0.03 2.01 0.12 3.63 2.01 0.54 -1.52 115.64 122.40 2c9i s THR 108 Ca -0.05 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 2c9i s THR 108 Cb -0.14 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2c9i s THR 108 CO 0.04 0.55 0.08 -0.94 -0.69 0.00 0.00 174.62 173.66 2c9i s SER 109 N 0.20 0.29 -0.10 3.53 1.04 -0.60 -2.01 113.70 116.06 2c9i s SER 109 Ca -0.14 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.20 2c9i s SER 109 Cb -0.17 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2c9i s SER 109 CO 0.07 -0.73 -0.18 -0.22 0.98 0.00 0.00 173.24 173.16 2c9i s LEU 110 N -3.01 1.87 -0.28 2.42 2.96 -1.26 -0.78 118.68 120.60 2c9i s LEU 110 Ca 0.20 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2c9i s LEU 110 Cb 0.07 -1.17 0.09 0.00 0.50 0.00 0.00 46.19 45.68 2c9i s LEU 110 CO -0.01 0.08 0.05 -1.10 -1.32 0.00 0.00 176.35 174.06 2c9i s GLN 111 N 0.65 0.96 7.13 1.98 -0.21 -0.29 -5.00 119.66 124.87 2c9i s GLN 111 Ca -0.13 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2c9i s GLN 111 Cb -0.16 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.58 2c9i s GLN 111 CO 0.04 -0.85 0.00 0.41 -2.12 0.00 0.00 175.29 172.76 2c9i n GLY 112 N 4.77 2.58 1.12 3.09 0.00 -1.26 -1.66 105.19 113.83 2c9i n GLY 112 Ca -0.04 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 9.92 3.76 -4.45 1.61 5.75 -1.26 -4.96 116.55 126.93 2c9i n ASP 113 Ca 0.00 -2.17 -0.36 0.00 -0.01 0.00 0.00 54.79 52.25 2c9i n ASP 113 Cb 0.00 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 39.54 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 1.54 4.86 -0.18 0.00 1.01 0.90 -1.14 121.20 128.19 2c9i s ILE 115 Ca 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2c9i s ILE 115 Cb -0.15 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2c9i s ILE 115 CO 0.03 -0.69 0.24 0.27 0.00 0.00 0.00 174.94 174.80 2c9i s ILE 116 N 2.69 5.34 -0.05 2.92 -5.25 0.04 -1.18 121.20 125.70 2c9i s ILE 116 Ca 0.18 0.43 0.05 0.00 -0.99 0.00 0.00 60.65 60.33 2c9i s ILE 116 Cb -0.17 -3.58 -0.01 0.00 2.95 0.00 0.00 42.46 41.65 2c9i s ILE 116 CO 0.15 0.40 -0.22 0.00 -1.79 0.00 0.00 174.94 173.48 2c9i s LYS 118 N -0.06 2.00 -0.06 0.00 1.02 -0.58 -1.25 119.74 120.82 2c9i s LYS 118 Ca -0.04 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.15 2c9i s LYS 118 Cb -0.13 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2c9i s LYS 118 CO 0.03 -0.43 -0.16 0.08 -0.92 0.00 0.00 175.35 173.96 2c9i s VAL 119 N 1.40 2.92 -0.08 3.17 1.01 0.41 -1.42 120.40 127.81 2c9i s VAL 119 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2c9i s VAL 119 Cb -0.16 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2c9i s VAL 119 CO -0.08 0.58 -0.22 -0.54 0.00 0.00 0.00 175.10 174.83 2c9i s LYS 120 N -0.49 2.64 -0.02 2.72 1.02 0.09 -2.07 119.74 123.62 2c9i s LYS 120 Ca 0.06 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.30 2c9i s LYS 120 Cb -0.12 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2c9i s LYS 120 CO 0.02 0.22 -0.18 0.08 -0.92 0.00 0.00 175.35 174.57 2c9i s VAL 121 N 0.22 1.43 -0.12 3.17 1.01 -0.44 -1.17 120.40 124.50 2c9i s VAL 121 Ca -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2c9i s VAL 121 Cb -0.16 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.07 2c9i s VAL 121 CO 0.06 0.41 0.13 -0.22 0.00 0.00 0.00 175.10 175.48 2c9i s LEU 122 N -0.25 0.09 -0.06 3.92 0.20 0.97 -2.08 118.68 121.48 2c9i s LEU 122 Ca 0.03 -0.11 0.05 0.00 0.69 0.00 0.00 54.13 54.79 2c9i s LEU 122 Cb -0.09 0.05 -0.01 0.00 -0.43 0.00 0.00 46.19 45.72 2c9i s LEU 122 CO 0.00 -0.29 -0.23 -0.83 -0.29 0.00 0.00 176.35 174.72 2c9i s GLY 123 N 2.23 1.18 0.17 7.98 0.00 0.50 -0.33 107.32 119.05 2c9i s GLY 123 Ca 0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 2c9i s GLY 123 CO -0.07 -0.54 0.12 -0.51 0.00 0.00 0.00 173.10 172.10 2c9i s THR 124 N -0.07 0.04 -1.73 0.90 -4.23 -0.84 -1.27 115.64 108.44 2c9i s THR 124 Ca -0.05 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2c9i s THR 124 Cb -0.13 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2c9i s THR 124 CO 0.03 -0.20 0.00 0.59 -0.54 0.00 0.00 174.62 174.51 2c9i n ASN 125 N -0.20 -5.31 -4.71 3.99 4.13 -1.26 -1.95 115.26 109.94 2c9i n ASN 125 Ca -0.01 0.40 -0.42 0.00 1.68 0.00 0.00 54.58 56.23 2c9i n ASN 125 Cb 0.65 -4.25 -0.03 0.00 -1.54 0.00 0.00 39.78 34.61 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 -2.49 3.11 -0.13 3.10 0.40 -1.26 -3.25 117.98 117.46 2c9i s PHE 126 Ca 0.00 0.93 -0.37 0.00 -0.60 0.00 0.00 56.93 56.90 2c9i s PHE 126 Cb 0.00 -3.65 -0.14 0.00 0.51 0.00 0.00 43.02 39.74 2c9i s PHE 126 CO 0.00 -2.31 1.78 -2.30 0.70 0.00 0.00 175.22 173.08 2c9i n PRO 127 N 4.48 1.73 0.04 0.24 -0.02 -1.26 -4.83 135.00 135.38 2c9i n PRO 127 Ca 0.12 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.39 2c9i n PRO 127 Cb 0.43 -2.40 0.64 0.00 -0.02 0.00 0.00 33.50 32.15 2c9i n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9i h ALA 128 N 7.94 2.29 -0.27 3.55 0.00 -1.98 -0.99 119.26 129.80 2c9i h ALA 128 Ca -0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2c9i h ALA 128 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2c9i h ALA 128 CO 0.94 -0.41 -0.01 0.09 0.00 0.00 0.00 179.25 179.86 2c9i n ASN 129 N -4.43 3.42 -4.95 0.00 5.03 -1.26 -4.57 115.26 108.50 2c9i n ASN 129 Ca 0.07 -3.22 -0.22 0.00 0.87 0.00 0.00 54.58 52.09 2c9i n ASN 129 Cb 0.45 -0.56 0.05 0.00 -1.02 0.00 0.00 39.78 38.69 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 -2.15 1.81 0.34 7.41 0.00 -0.38 -4.89 107.32 109.47 2c9i s GLY 130 Ca 0.42 -1.32 0.06 0.00 0.00 0.00 0.00 44.72 43.88 2c9i s GLY 130 CO 0.06 -1.00 1.90 -0.56 0.00 0.00 0.00 173.10 173.50 2c9i h PRO 131 N -0.04 0.76 0.24 2.90 0.13 -1.92 -0.91 132.00 133.16 2c9i h PRO 131 Ca -0.42 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2c9i h PRO 131 Cb 1.30 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2c9i h PRO 131 CO 0.52 0.51 -0.11 0.28 -0.23 0.00 0.00 178.00 178.96 2c9i h VAL 132 N 0.79 0.82 0.00 1.56 2.07 -1.91 0.23 116.25 119.81 2c9i h VAL 132 Ca 0.41 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2c9i h VAL 132 Cb 0.49 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2c9i h VAL 132 CO -0.17 0.09 -0.01 0.24 0.02 0.00 0.00 177.57 177.74 2c9i h MET 133 N -0.52 0.00 -0.19 1.57 2.86 -1.69 0.69 114.93 117.65 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 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2c9i h MET 133 CO 0.05 0.01 0.00 1.04 1.06 0.00 0.00 176.91 179.07 2c9i n GLN 134 N -3.10 2.26 -3.58 1.72 1.13 -0.37 -4.55 117.38 110.89 2c9i n GLN 134 Ca 0.02 -1.87 -0.20 0.00 -1.94 0.00 0.00 57.00 53.01 2c9i n GLN 134 Cb 0.40 -1.48 0.06 0.00 0.11 0.00 0.00 30.24 29.33 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 1.16 -5.88 -1.62 -1.09 5.02 -0.69 -4.94 118.16 110.12 2c9i n LYS 135 Ca 0.17 0.74 -0.27 0.00 -2.02 0.00 0.00 58.31 56.93 2c9i n LYS 135 Cb 0.54 -5.55 0.06 0.00 -0.02 0.00 0.00 35.03 30.07 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 -4.25 3.06 -4.25 1.97 5.02 0.72 -4.98 118.16 115.45 2c9i n LYS 136 Ca -0.27 -3.70 -0.28 0.00 -2.02 0.00 0.00 58.31 52.03 2c9i n LYS 136 Cb 0.66 -2.24 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 2c9i n LYS 136 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2c9i s THR 137 N -4.56 3.34 -0.22 -0.18 -4.23 -1.26 -0.99 115.64 107.53 2c9i s THR 137 Ca 0.56 -1.43 0.16 0.00 -1.18 0.00 0.00 61.69 59.80 2c9i s THR 137 Cb 0.45 -2.61 0.47 0.00 1.34 0.00 0.00 72.50 72.15 2c9i s THR 137 CO 0.02 0.00 1.17 0.00 -0.54 0.00 0.00 174.62 175.27 2c9i n GLY 139 N -0.56 -0.52 3.86 0.00 0.00 -1.26 -4.73 105.19 101.98 2c9i n GLY 139 Ca 0.22 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.68 3.40 0.74 1.61 0.52 -1.26 -0.99 118.94 120.27 2c9i s TRP 140 Ca 0.00 1.06 -0.11 0.00 0.02 0.00 0.00 56.10 57.06 2c9i s TRP 140 Cb 0.00 -2.41 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2c9i s TRP 140 CO 0.00 0.16 1.08 -1.21 0.02 0.00 0.00 176.95 177.00 2c9i s GLU 141 N -2.96 2.58 0.79 4.98 0.41 0.21 -4.83 118.70 119.89 2c9i s GLU 141 Ca 0.51 0.83 -0.13 0.00 -0.41 0.00 0.00 54.97 55.77 2c9i s GLU 141 Cb -0.11 -1.96 0.07 0.00 -1.78 0.00 0.00 34.13 30.36 2c9i s GLU 141 CO 0.20 -1.32 1.17 -1.25 -0.49 0.00 0.00 175.26 173.57 2c9i s PRO 142 N -5.09 1.83 0.27 0.39 0.04 -1.26 -4.72 135.00 126.45 2c9i s PRO 142 Ca 0.59 1.61 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 2c9i s PRO 142 Cb -0.14 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2c9i s PRO 142 CO 0.55 -2.04 0.40 -1.54 0.04 0.00 0.00 177.00 174.41 2c9i s SER 143 N -2.41 0.26 -0.08 6.66 1.04 -0.85 -4.80 113.70 113.52 2c9i s SER 143 Ca 0.70 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2c9i s SER 143 Cb -0.25 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2c9i s SER 143 CO 0.50 -1.13 -0.07 0.28 0.98 0.00 0.00 173.24 173.80 2c9i s THR 144 N -3.75 0.90 -0.12 2.02 -1.32 -1.26 -0.03 115.64 112.08 2c9i s THR 144 Ca 0.28 -0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.44 2c9i s THR 144 Cb 0.01 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 2c9i s THR 144 CO 0.13 0.33 0.12 -0.70 -2.21 0.00 0.00 174.62 172.29 2c9i s GLU 145 N 1.33 3.39 -0.27 7.08 2.12 0.11 -4.69 118.70 127.77 2c9i s GLU 145 Ca -0.03 -0.17 -0.18 0.00 0.36 0.00 0.00 54.97 54.95 2c9i s GLU 145 Cb -0.14 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 2c9i s GLU 145 CO -0.03 0.77 0.53 0.99 -0.54 0.00 0.00 175.26 176.98 2c9i s THR 146 N -1.00 5.04 -0.43 -1.70 2.01 0.38 -0.42 115.64 119.53 2c9i s THR 146 Ca 0.15 0.84 -0.19 0.00 0.31 0.00 0.00 61.69 62.79 2c9i s THR 146 Cb -0.12 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2c9i s THR 146 CO 0.04 0.02 0.55 -0.69 -0.69 0.00 0.00 174.62 173.85 2c9i s VAL 147 N 2.37 4.94 -0.19 3.82 1.01 0.41 -1.91 120.40 130.85 2c9i s VAL 147 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2c9i s VAL 147 Cb -0.15 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2c9i s VAL 147 CO 0.10 -0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 174.00 2c9i s ILE 148 N 2.52 3.46 0.08 2.22 1.01 -0.32 -2.09 121.20 128.08 2c9i s ILE 148 Ca 0.18 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 60.04 2c9i s ILE 148 Cb -0.15 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 2c9i s ILE 148 CO 0.16 0.46 1.41 -2.16 0.00 0.00 0.00 174.94 174.81 2c9i s PRO 149 N 1.00 4.30 -0.12 2.79 0.04 -1.26 -0.35 135.00 141.40 2c9i s PRO 149 Ca 0.00 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2c9i s PRO 149 Cb -0.15 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 31.10 2c9i s PRO 149 CO 0.00 -0.49 0.21 0.50 0.04 0.00 0.00 177.00 177.27 2c9i s ARG 150 N 1.52 0.10 0.00 4.56 3.52 -0.47 -4.87 118.95 123.31 2c9i s ARG 150 Ca 0.65 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 2c9i s ARG 150 Cb -0.36 -0.27 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 2c9i s ARG 150 CO 0.29 -0.34 0.00 -0.40 -0.81 0.00 0.00 175.30 174.05 2c9i n ASP 151 N 5.34 0.00 0.00 -2.12 3.85 -1.26 -0.91 116.55 121.44 2c9i n ASP 151 Ca -0.05 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.03 2c9i n ASP 151 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2c9i n ASP 151 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c9i n GLY 152 N 0.14 2.89 0.00 6.12 0.00 -1.26 -4.91 105.19 108.16 2c9i n GLY 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.39 6.59 3.26 -0.02 0.00 -0.09 -4.74 105.19 108.80 2c9i n GLY 153 Ca 0.00 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 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 2.32 -0.14 0.99 1.02 -0.89 -1.36 118.68 120.61 2c9i s LEU 154 Ca 0.00 -0.70 -0.00 0.00 0.02 0.00 0.00 54.13 53.45 2c9i s LEU 154 Cb 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 46.19 45.48 2c9i s LEU 154 CO 0.00 -0.00 -0.10 -0.22 0.02 0.00 0.00 176.35 176.05 2c9i s LEU 155 N -2.00 1.54 -0.13 1.79 2.96 0.52 -1.14 118.68 122.22 2c9i s LEU 155 Ca 0.05 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2c9i s LEU 155 Cb -0.09 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 2c9i s LEU 155 CO 0.04 -0.11 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.19 2c9i s LEU 156 N 1.59 3.42 0.01 -0.68 1.02 0.15 -1.17 118.68 123.01 2c9i s LEU 156 Ca 0.04 -0.01 0.05 0.00 0.02 0.00 0.00 54.13 54.23 2c9i s LEU 156 Cb -0.13 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2c9i s LEU 156 CO -0.09 0.25 -0.17 -0.13 0.02 0.00 0.00 176.35 176.23 2c9i s ARG 157 N -0.10 1.28 0.07 1.70 0.52 -0.80 -0.42 118.95 121.20 2c9i s ARG 157 Ca 0.03 -0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 54.37 2c9i s ARG 157 Cb -0.13 -1.28 0.04 0.00 0.52 0.00 0.00 34.95 34.11 2c9i s ARG 157 CO 0.02 0.34 0.45 0.34 0.02 0.00 0.00 175.30 176.47 2c9i s ASP 158 N -0.67 -0.33 -0.57 0.23 -1.08 -0.95 -0.47 116.67 112.83 2c9i s ASP 158 Ca 0.06 -0.04 0.06 0.00 -0.52 0.00 0.00 52.55 52.12 2c9i s ASP 158 Cb -0.07 0.47 0.24 0.00 -1.46 0.00 0.00 42.92 42.10 2c9i s ASP 158 CO 0.00 -0.75 0.66 1.07 0.52 0.00 0.00 175.17 176.68 2c9i n THR 159 N 0.23 1.37 -2.21 1.71 5.66 -1.26 -0.73 114.28 119.06 2c9i n THR 159 Ca -0.18 -4.82 -0.38 0.00 -3.05 0.00 0.00 64.05 55.63 2c9i n THR 159 Cb 0.61 -2.05 -0.01 0.00 -1.55 0.00 0.00 70.33 67.33 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 -2.01 3.82 -0.18 1.09 0.04 -1.16 -4.81 135.00 131.79 2c9i s PRO 160 Ca 0.38 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.25 2c9i s PRO 160 Cb 0.14 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 2c9i s PRO 160 CO -0.05 -0.53 -0.04 0.00 0.04 0.00 0.00 177.00 176.42 2c9i s ALA 161 N -1.46 2.90 -0.24 8.56 0.00 -1.26 -2.37 121.76 127.89 2c9i s ALA 161 Ca 0.62 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 2c9i s ALA 161 Cb -0.31 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 2c9i s ALA 161 CO 0.38 -0.02 0.20 -1.17 0.00 0.00 0.00 175.76 175.15 2c9i s LEU 162 N 0.78 4.10 0.33 0.00 2.96 0.76 -0.61 118.68 126.99 2c9i s LEU 162 Ca -0.02 0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.76 2c9i s LEU 162 Cb -0.15 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.28 2c9i s LEU 162 CO 0.02 0.02 1.18 -0.04 -1.32 0.00 0.00 176.35 176.20 2c9i s MET 163 N 1.25 4.40 0.24 1.98 -1.94 -0.16 -0.16 119.30 124.90 2c9i s MET 163 Ca 0.09 1.93 0.09 0.00 -1.71 0.00 0.00 55.69 56.09 2c9i s MET 163 Cb -0.14 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 2c9i s MET 163 CO 0.06 -0.05 0.01 -0.51 -0.01 0.00 0.00 175.02 174.52 2c9i s LEU 164 N -1.84 3.26 0.52 -0.03 1.43 -0.55 -0.02 118.68 121.45 2c9i s LEU 164 Ca 0.49 -0.55 0.24 0.00 -1.03 0.00 0.00 54.13 53.28 2c9i s LEU 164 Cb -0.34 -1.82 1.41 0.00 0.03 0.00 0.00 46.19 45.47 2c9i s LEU 164 CO 0.44 0.02 2.09 0.00 0.23 0.00 0.00 176.35 179.14 2c9i h ALA 165 N 2.11 1.46 -0.00 4.21 0.00 -1.37 -1.59 119.26 124.07 2c9i h ALA 165 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2c9i h ALA 165 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c9i h ALA 165 CO 0.59 0.13 -0.05 -0.40 0.00 0.00 0.00 179.25 179.52 2c9i n ASP 166 N -3.88 0.13 0.00 0.00 5.68 -1.26 -4.91 116.55 112.30 2c9i n ASP 166 Ca -0.02 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2c9i n ASP 166 Cb 0.20 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 1.35 0.62 0.00 6.12 0.00 -0.60 -5.08 105.19 107.60 2c9i n GLY 167 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.02 1.19 3.06 -0.02 0.00 -1.26 -4.85 105.19 101.29 2c9i n GLY 168 Ca 0.00 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 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 1.15 0.91 -0.23 1.61 3.76 -1.26 -1.48 115.29 119.74 2c9i s HIS 169 Ca 0.00 -0.26 -0.04 0.00 -0.15 0.00 0.00 55.06 54.61 2c9i s HIS 169 Cb 0.00 -0.56 -0.00 0.00 1.11 0.00 0.00 32.58 33.13 2c9i s HIS 169 CO 0.00 -0.01 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.68 2c9i s LEU 170 N -0.67 3.03 0.07 0.89 2.96 0.78 -4.94 118.68 120.81 2c9i s LEU 170 Ca 0.01 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2c9i s LEU 170 Cb -0.06 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2c9i s LEU 170 CO 0.00 -0.06 0.19 -0.94 -1.32 0.00 0.00 176.35 174.23 2c9i s SER 171 N 1.45 6.20 0.05 3.68 1.04 -1.26 -0.17 113.70 124.68 2c9i s SER 171 Ca 0.05 0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 2c9i s SER 171 Cb -0.15 -1.86 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 2c9i s SER 171 CO -0.03 0.16 -0.04 0.00 0.98 0.00 0.00 173.24 174.32 2c9i s PHE 173 N -3.15 3.58 -0.08 0.00 0.40 0.18 -2.99 117.98 115.92 2c9i s PHE 173 Ca 0.01 0.53 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 2c9i s PHE 173 Cb 0.02 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 2c9i s PHE 173 CO -0.07 0.68 -0.23 -1.64 0.70 0.00 0.00 175.22 174.66 2c9i s MET 174 N -0.85 2.85 -0.23 0.44 -1.94 0.09 -0.76 119.30 118.90 2c9i s MET 174 Ca 0.15 -0.86 -0.00 0.00 -1.71 0.00 0.00 55.69 53.26 2c9i s MET 174 Cb -0.12 -2.28 0.07 0.00 2.01 0.00 0.00 34.83 34.50 2c9i s MET 174 CO 0.04 0.29 -0.01 -1.21 -0.01 0.00 0.00 175.02 174.12 2c9i s GLU 175 N 0.07 1.21 -0.12 2.03 2.02 -0.64 -2.24 118.70 121.04 2c9i s GLU 175 Ca -0.10 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2c9i s GLU 175 Cb -0.16 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 2c9i s GLU 175 CO 0.06 -0.66 -0.18 0.99 0.02 0.00 0.00 175.26 175.49 2c9i s THR 176 N 1.55 2.63 0.02 3.63 2.01 0.44 -1.79 115.64 124.13 2c9i s THR 176 Ca -0.02 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2c9i s THR 176 Cb -0.18 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2c9i s THR 176 CO -0.09 0.54 0.05 0.42 -0.69 0.00 0.00 174.62 174.86 2c9i s THR 177 N 0.32 4.47 -0.06 -0.82 -4.23 0.90 0.31 115.64 116.53 2c9i s THR 177 Ca -0.14 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2c9i s THR 177 Cb -0.17 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.62 2c9i s THR 177 CO 0.07 0.29 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.00 2c9i s TYR 178 N -1.21 1.44 -0.04 3.99 1.51 -0.29 -1.46 117.35 121.28 2c9i s TYR 178 Ca 0.24 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2c9i s TYR 178 Cb -0.12 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 2c9i s TYR 178 CO 0.15 -0.23 -0.09 0.21 -1.11 0.00 0.00 175.55 174.48 2c9i s LYS 179 N 0.47 1.18 -0.06 -0.62 2.20 -0.23 -2.09 119.74 120.59 2c9i s LYS 179 Ca -0.11 -0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2c9i s LYS 179 Cb -0.14 -1.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 2c9i s LYS 179 CO 0.03 0.04 0.05 0.45 -0.36 0.00 0.00 175.35 175.56 2c9i s SER 180 N 0.51 5.54 0.14 1.43 0.15 -1.26 -0.21 113.70 120.00 2c9i s SER 180 Ca -0.09 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 2c9i s SER 180 Cb -0.12 -1.60 0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2c9i s SER 180 CO 0.01 0.34 1.68 0.11 1.20 0.00 0.00 173.24 176.59 2c9i h LYS 181 N 4.74 0.69 -6.55 5.44 6.56 -1.57 -3.44 116.57 122.44 2c9i h LYS 181 Ca -0.51 -0.13 -0.44 0.00 -1.06 0.00 0.00 60.65 58.51 2c9i h LYS 181 Cb 1.19 -0.11 0.02 0.00 -0.57 0.00 0.00 32.23 32.77 2c9i h LYS 181 CO 0.57 0.64 -0.20 0.15 -2.06 0.00 0.00 179.45 178.55 2c9i s LYS 182 N -5.50 2.90 -0.05 3.15 -0.14 -1.26 -5.07 119.74 113.76 2c9i s LYS 182 Ca -0.13 -0.91 -0.23 0.00 -1.36 0.00 0.00 55.97 53.33 2c9i s LYS 182 Cb 0.11 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.54 2c9i s LYS 182 CO 0.77 -0.27 0.70 -1.21 -0.76 0.00 0.00 175.35 174.58 2c9i s GLU 183 N -4.43 4.44 0.07 1.68 2.02 -1.26 -5.04 118.70 116.17 2c9i s GLU 183 Ca 0.51 0.89 0.07 0.00 0.02 0.00 0.00 54.97 56.46 2c9i s GLU 183 Cb -0.10 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 2c9i s GLU 183 CO 0.35 0.11 -0.18 0.08 0.02 0.00 0.00 175.26 175.64 2c9i s VAL 184 N 0.64 1.43 -0.34 2.63 1.01 -1.26 -5.07 120.40 119.44 2c9i s VAL 184 Ca 0.37 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2c9i s VAL 184 Cb -0.18 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2c9i s VAL 184 CO 0.19 -0.02 1.65 -0.75 0.00 0.00 0.00 175.10 176.16 2c9i s LYS 185 N -1.52 3.48 0.34 2.72 2.36 -1.26 -4.98 119.74 120.88 2c9i s LYS 185 Ca 0.04 1.30 -0.28 0.00 -2.55 0.00 0.00 55.97 54.48 2c9i s LYS 185 Cb -0.09 -4.12 -0.09 0.00 -1.05 0.00 0.00 37.83 32.48 2c9i s LYS 185 CO 0.03 -1.68 1.20 -0.51 1.55 0.00 0.00 175.35 175.93 2c9i s LEU 186 N 6.18 4.39 0.72 5.43 1.02 -1.26 -4.69 118.68 130.47 2c9i s LEU 186 Ca 0.73 2.45 -0.11 0.00 0.02 0.00 0.00 54.13 57.22 2c9i s LEU 186 Cb -0.20 -3.77 0.03 0.00 0.02 0.00 0.00 46.19 42.27 2c9i s LEU 186 CO 0.33 -0.46 1.10 -2.16 0.02 0.00 0.00 176.35 175.17 2c9i s PRO 187 N -1.86 2.64 0.81 1.29 0.04 -1.26 -4.84 135.00 131.81 2c9i s PRO 187 Ca 0.50 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2c9i s PRO 187 Cb -0.34 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.26 2c9i s PRO 187 CO 0.45 -1.15 1.16 -2.00 0.04 0.00 0.00 177.00 175.50 2c9i s GLU 188 N -5.38 1.81 0.21 4.56 2.56 -1.26 -4.55 118.70 116.66 2c9i s GLU 188 Ca 0.59 -0.07 -0.32 0.00 0.00 0.00 0.00 54.97 55.16 2c9i s GLU 188 Cb -0.11 -1.99 -0.12 0.00 2.00 0.00 0.00 34.13 33.91 2c9i s GLU 188 CO 0.50 -1.64 1.71 -0.11 -0.56 0.00 0.00 175.26 175.16 2c9i n LEU 189 N -3.29 4.00 0.00 2.70 0.00 -1.26 -4.77 117.00 114.38 2c9i n LEU 189 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.17 2c9i n LEU 189 Cb 0.61 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.46 2c9i n LEU 189 CO 0.54 0.16 0.00 0.00 0.00 0.00 0.00 177.39 178.09 2c9i n HIS 190 N 3.78 -0.43 -4.15 1.96 1.44 -0.89 -4.93 115.22 112.00 2c9i n HIS 190 Ca 0.15 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.69 2c9i n HIS 190 Cb 0.35 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.34 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 -5.13 1.11 -0.16 -1.40 0.08 -0.47 -0.45 117.98 111.56 2c9i s PHE 191 Ca 0.00 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 2c9i s PHE 191 Cb 0.00 -0.63 -0.02 0.00 -0.57 0.00 0.00 43.02 41.80 2c9i s PHE 191 CO 0.00 0.03 -0.07 -1.01 -0.10 0.00 0.00 175.22 174.07 2c9i s HIS 192 N -1.32 2.93 -0.31 0.36 3.76 0.45 -1.58 115.29 119.58 2c9i s HIS 192 Ca -0.03 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.20 2c9i s HIS 192 Cb -0.10 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 2c9i s HIS 192 CO 0.02 -0.22 0.15 -1.01 -0.85 0.00 0.00 174.74 172.82 2c9i s HIS 193 N 0.63 3.18 0.10 1.40 0.09 0.65 0.10 115.29 121.44 2c9i s HIS 193 Ca -0.04 -0.59 0.07 0.00 -0.00 0.00 0.00 55.06 54.50 2c9i s HIS 193 Cb -0.15 -2.35 -0.04 0.00 -0.00 0.00 0.00 32.58 30.04 2c9i s HIS 193 CO 0.03 -0.46 -0.11 -0.51 -0.00 0.00 0.00 174.74 173.69 2c9i s LEU 194 N 1.61 2.99 -0.20 0.89 2.01 0.96 -1.59 118.68 125.36 2c9i s LEU 194 Ca 0.04 -0.40 -0.04 0.00 0.01 0.00 0.00 54.13 53.74 2c9i s LEU 194 Cb -0.17 -1.79 0.09 0.00 0.01 0.00 0.00 46.19 44.32 2c9i s LEU 194 CO 0.06 0.18 0.20 -0.60 1.01 0.00 0.00 176.35 177.21 2c9i s ARG 195 N -2.16 0.17 -0.19 1.70 3.52 -0.72 -2.00 118.95 119.26 2c9i s ARG 195 Ca 0.21 0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 55.97 2c9i s ARG 195 Cb -0.11 -1.25 -0.00 0.00 -1.56 0.00 0.00 34.95 32.02 2c9i s ARG 195 CO 0.13 -0.64 -0.09 1.41 -0.81 0.00 0.00 175.30 175.29 2c9i s MET 196 N 2.30 3.30 0.00 5.12 -2.45 -1.26 -1.93 119.30 124.39 2c9i s MET 196 Ca 0.06 -0.68 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 2c9i s MET 196 Cb -0.16 -2.85 -0.01 0.00 1.25 0.00 0.00 34.83 33.07 2c9i s MET 196 CO -0.11 -0.12 -0.06 -1.21 1.05 0.00 0.00 175.02 174.56 2c9i s GLU 197 N 1.23 0.49 -0.36 4.11 2.02 0.12 -4.50 118.70 121.81 2c9i s GLU 197 Ca 0.02 -0.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.48 2c9i s GLU 197 Cb -0.14 -0.45 0.01 0.00 0.10 0.00 0.00 34.13 33.65 2c9i s GLU 197 CO -0.04 0.12 0.80 0.15 0.02 0.00 0.00 175.26 176.31 2c9i s LYS 198 N -0.36 3.78 -0.13 1.61 1.02 -1.26 -0.35 119.74 124.05 2c9i s LYS 198 Ca 0.01 0.36 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 2c9i s LYS 198 Cb -0.03 -3.80 -0.14 0.00 -0.52 0.00 0.00 37.83 33.33 2c9i s LYS 198 CO -0.00 -0.85 0.39 -0.07 -0.92 0.00 0.00 175.35 173.90 2c9i h LEU 199 N 9.75 0.00 -8.20 3.17 3.38 -1.04 -3.48 115.31 118.90 2c9i h LEU 199 Ca -0.24 -0.53 -0.35 0.00 0.09 0.00 0.00 57.88 56.85 2c9i h LEU 199 Cb 1.09 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.61 2c9i h LEU 199 CO 0.92 0.80 -0.76 0.20 0.09 0.00 0.00 178.44 179.69 2c9i s ASN 200 N -5.95 1.15 -0.05 -0.43 0.01 -1.22 -4.99 114.94 103.47 2c9i s ASN 200 Ca -0.11 -0.45 0.02 0.00 -0.71 0.00 0.00 52.86 51.60 2c9i s ASN 200 Cb -0.01 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.63 2c9i s ASN 200 CO 0.38 -0.07 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.20 2c9i s ILE 201 N -0.99 0.74 0.71 0.60 1.01 -1.26 -0.45 121.20 121.56 2c9i s ILE 201 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2c9i s ILE 201 Cb -0.08 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.70 2c9i s ILE 201 CO 0.01 0.26 1.09 -0.94 0.00 0.00 0.00 174.94 175.36 2c9i s SER 202 N 0.73 4.87 0.25 3.58 1.04 0.86 -4.96 113.70 120.06 2c9i s SER 202 Ca -0.12 1.87 -0.03 0.00 0.48 0.00 0.00 55.95 58.15 2c9i s SER 202 Cb -0.14 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.86 2c9i s SER 202 CO 0.01 -1.79 1.83 0.44 0.98 0.00 0.00 173.24 174.72 2c9i h ASP 203 N -0.59 0.80 -0.00 7.02 3.32 -2.01 -1.98 116.42 122.97 2c9i h ASP 203 Ca -0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2c9i h ASP 203 Cb 1.23 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2c9i h ASP 203 CO 0.53 0.47 0.00 -0.90 -1.72 0.00 0.00 179.24 177.62 2c9i n ASP 204 N -4.67 0.24 -3.51 6.45 3.85 -1.26 -4.91 116.55 112.74 2c9i n ASP 204 Ca 0.14 -1.11 -0.22 0.00 -0.71 0.00 0.00 54.79 52.90 2c9i n ASP 204 Cb 0.25 -0.00 0.08 0.00 -1.35 0.00 0.00 41.12 40.10 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 -0.80 -2.64 -0.05 2.11 7.02 -0.74 -4.61 117.44 117.72 2c9i n TRP 205 Ca 0.23 0.98 -0.06 0.00 -1.02 0.00 0.00 57.50 57.62 2c9i n TRP 205 Cb 0.15 -5.02 -0.05 0.00 -2.42 0.00 0.00 31.31 23.97 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 -4.69 0.68 -4.58 -0.99 4.01 -1.26 -4.53 118.16 106.80 2c9i n LYS 206 Ca -0.08 0.05 -0.33 0.00 -0.51 0.00 0.00 58.31 57.43 2c9i n LYS 206 Cb 0.59 -1.20 -0.14 0.00 -0.51 0.00 0.00 35.03 33.77 2c9i n LYS 206 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2c9i s THR 207 N -2.20 3.17 -0.04 -0.18 2.01 -1.26 -0.44 115.64 116.71 2c9i s THR 207 Ca -0.12 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2c9i s THR 207 Cb 0.03 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.22 2c9i s THR 207 CO 0.25 0.51 0.08 0.54 -0.69 0.00 0.00 174.62 175.30 2c9i s VAL 208 N 0.54 -0.07 -0.19 3.82 0.11 0.02 -0.10 120.40 124.53 2c9i s VAL 208 Ca -0.07 0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 59.05 2c9i s VAL 208 Cb -0.15 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2c9i s VAL 208 CO 0.03 0.09 0.38 -0.70 -3.33 0.00 0.00 175.10 171.58 2c9i s GLU 209 N 1.24 4.19 -0.08 1.54 2.12 0.40 -0.93 118.70 127.18 2c9i s GLU 209 Ca -0.08 0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.48 2c9i s GLU 209 Cb -0.12 -3.52 -0.00 0.00 0.26 0.00 0.00 34.13 30.75 2c9i s GLU 209 CO -0.04 0.01 -0.23 -1.14 -0.54 0.00 0.00 175.26 173.32 2c9i s GLN 210 N 1.16 2.67 0.13 4.30 0.74 -0.22 -0.31 119.66 128.13 2c9i s GLN 210 Ca 0.19 -0.83 0.10 0.00 0.05 0.00 0.00 55.36 54.86 2c9i s GLN 210 Cb -0.14 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.80 2c9i s GLN 210 CO 0.07 0.24 -0.20 -1.58 -0.55 0.00 0.00 175.29 173.28 2c9i s HIS 211 N 0.17 2.46 -0.10 1.67 5.65 0.52 -0.69 115.29 124.96 2c9i s HIS 211 Ca -0.12 -0.30 -0.08 0.00 0.25 0.00 0.00 55.06 54.81 2c9i s HIS 211 Cb -0.16 -1.29 0.03 0.00 -1.18 0.00 0.00 32.58 29.98 2c9i s HIS 211 CO 0.06 0.40 0.26 -2.00 -0.65 0.00 0.00 174.74 172.81 2c9i s GLU 212 N -2.24 0.27 -0.06 2.88 2.12 -0.73 -0.71 118.70 120.24 2c9i s GLU 212 Ca 0.18 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.98 2c9i s GLU 212 Cb -0.10 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.34 2c9i s GLU 212 CO 0.09 -0.08 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.41 2c9i s SER 213 N 0.52 2.64 -0.05 -1.70 0.01 -0.81 -1.74 113.70 112.57 2c9i s SER 213 Ca -0.03 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.79 2c9i s SER 213 Cb -0.05 -0.81 0.02 0.00 0.21 0.00 0.00 66.02 65.39 2c9i s SER 213 CO -0.03 0.19 -0.03 -0.69 0.41 0.00 0.00 173.24 173.08 2c9i s VAL 214 N 0.02 0.49 -0.14 3.43 1.01 -0.04 -1.76 120.40 123.40 2c9i s VAL 214 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2c9i s VAL 214 Cb -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.72 2c9i s VAL 214 CO 0.04 0.22 -0.19 -0.69 0.00 0.00 0.00 175.10 174.48 2c9i s VAL 215 N 1.09 1.85 -0.12 2.92 1.01 -0.62 -1.06 120.40 125.47 2c9i s VAL 215 Ca -0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 2c9i s VAL 215 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2c9i s VAL 215 CO -0.01 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.74 2c9i s ALA 216 N 1.07 3.87 -0.05 5.51 0.00 0.29 -0.25 121.76 132.20 2c9i s ALA 216 Ca -0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 2c9i s ALA 216 Cb -0.14 -1.97 0.11 0.00 0.00 0.00 0.00 23.12 21.12 2c9i s ALA 216 CO -0.06 0.62 0.98 -1.54 0.00 0.00 0.00 175.76 175.76 2c9i s SER 217 N -1.02 -0.29 1.04 0.00 1.04 -0.61 -4.29 113.70 109.56 2c9i s SER 217 Ca 0.15 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 2c9i s SER 217 Cb -0.12 0.32 0.21 0.00 0.10 0.00 0.00 66.02 66.53 2c9i s SER 217 CO 0.04 -0.52 1.11 -0.31 0.98 0.00 0.00 173.24 174.54 2c9i s TYR 218 N -2.93 1.79 0.47 5.02 4.12 -1.26 -1.37 117.35 123.19 2c9i s TYR 218 Ca 0.07 0.82 -0.25 0.00 0.02 0.00 0.00 57.07 57.73 2c9i s TYR 218 Cb -0.01 -3.36 -0.08 0.00 -1.52 0.00 0.00 41.96 37.00 2c9i s TYR 218 CO -0.07 -3.06 1.41 0.45 0.02 0.00 0.00 175.55 174.30 2c9i n SER 219 N -4.25 3.14 0.16 2.29 2.88 -1.26 -4.87 113.62 111.71 2c9i n SER 219 Ca 0.07 1.09 0.06 0.00 -1.33 0.00 0.00 58.87 58.76 2c9i n SER 219 Cb 0.58 -1.59 0.07 0.00 -0.75 0.00 0.00 64.21 62.52 2c9i n SER 219 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2c9i h GLN 220 N 2.10 0.00 -6.31 -1.46 3.07 -2.00 -3.46 115.11 107.05 2c9i h GLN 220 Ca -0.51 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 57.69 2c9i h GLN 220 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.81 2c9i h GLN 220 CO 0.60 0.31 0.30 0.54 0.09 0.00 0.00 178.83 180.67 2c9i s VAL 221 N -3.06 4.92 0.74 1.86 0.11 -1.26 -5.02 120.40 118.69 2c9i s VAL 221 Ca 0.05 1.90 -0.15 0.00 -2.93 0.00 0.00 61.98 60.85 2c9i s VAL 221 Cb 0.07 -4.25 0.04 0.00 -1.53 0.00 0.00 36.38 30.71 2c9i s VAL 221 CO 0.72 0.18 1.22 -2.84 -3.33 0.00 0.00 175.10 171.06 2c9i s PRO 222 N 0.97 2.06 -0.01 1.54 0.02 -1.26 -5.04 135.00 133.27 2c9i s PRO 222 Ca 0.48 1.80 0.01 0.00 0.02 0.00 0.00 61.00 63.32 2c9i s PRO 222 Cb -0.20 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 2c9i s PRO 222 CO 0.25 -1.91 -0.01 0.45 -0.33 0.00 0.00 177.00 175.45 2c9i s SER 223 N -1.97 5.03 0.00 2.53 0.15 -1.26 -5.00 113.70 113.17 2c9i s SER 223 Ca 0.75 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 57.63 2c9i s SER 223 Cb -0.30 -1.30 0.45 0.00 -1.71 0.00 0.00 66.02 63.16 2c9i s SER 223 CO 0.46 0.29 1.37 0.29 1.20 0.00 0.00 173.24 176.85 2c9i n LYS 224 N 1.53 0.22 -0.08 5.44 4.76 -1.26 -4.22 118.16 124.55 2c9i n LYS 224 Ca -0.15 -0.14 0.03 0.00 -2.87 0.00 0.00 58.31 55.18 2c9i n LYS 224 Cb 0.53 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.29 2c9i n LYS 224 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2c9i n LEU 225 N -1.27 2.32 -0.69 -0.35 4.32 -1.26 -4.98 117.00 115.09 2c9i n LEU 225 Ca 0.07 -1.79 -0.09 0.00 -0.02 0.00 0.00 56.01 54.18 2c9i n LEU 225 Cb 0.34 -0.10 -0.04 0.00 -1.62 0.00 0.00 43.42 42.00 2c9i n LEU 225 CO 0.34 0.57 -0.09 0.61 -1.22 0.00 0.00 177.39 177.60 2c9i n GLY 226 N 0.14 1.03 3.88 -0.72 0.00 -1.26 -5.02 105.19 103.24 2c9i n GLY 226 Ca 0.06 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.33 3.44 -2.00 1.61 5.04 -1.26 -5.08 115.29 114.70 2c9i s HIS 227 Ca 0.00 0.81 0.14 0.00 -1.54 0.00 0.00 55.06 54.47 2c9i s HIS 227 Cb 0.00 -2.22 0.84 0.00 0.04 0.00 0.00 32.58 31.24 2c9i s HIS 227 CO 0.00 0.27 1.26 0.09 -2.34 0.00 0.00 174.74 174.02