#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 2.41 -1.23 -0.72 -0.02 -1.26 -2.98 135.00 131.21 2c9i n PRO 3 Ca 0.00 0.85 -0.08 0.00 -2.02 0.00 0.00 63.50 62.25 2c9i n PRO 3 Cb 0.00 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 30.86 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 0.27 -4.83 -4.13 2.55 3.41 -1.26 -4.84 113.62 104.80 2c9i n SER 4 Ca 0.03 0.19 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 2c9i n SER 4 Cb 0.39 -3.02 -0.14 0.00 -0.26 0.00 0.00 64.21 61.19 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 -1.99 2.86 0.70 -1.33 -1.09 -1.16 -4.94 121.20 114.25 2c9i s ILE 5 Ca 0.00 -1.71 -0.07 0.00 -2.23 0.00 0.00 60.65 56.63 2c9i s ILE 5 Cb 0.00 -2.79 0.05 0.00 -1.58 0.00 0.00 42.46 38.14 2c9i s ILE 5 CO 0.00 -0.31 1.02 -0.54 -1.23 0.00 0.00 174.94 173.89 2c9i s LYS 6 N 1.16 2.32 0.27 2.79 1.02 -1.26 -4.84 119.74 121.19 2c9i s LYS 6 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2c9i s LYS 6 Cb -0.20 -2.15 0.59 0.00 -0.52 0.00 0.00 37.83 35.55 2c9i s LYS 6 CO -0.03 -1.19 1.73 1.49 -0.92 0.00 0.00 175.35 176.43 2c9i h GLU 7 N -0.60 0.50 -4.61 1.68 4.81 -1.99 -3.41 114.58 110.96 2c9i h GLU 7 Ca -0.45 -0.03 -0.54 0.00 -0.13 0.00 0.00 59.36 58.21 2c9i h GLU 7 Cb 1.31 -0.11 -0.34 0.00 0.63 0.00 0.00 28.75 30.23 2c9i h GLU 7 CO 0.61 0.33 -0.82 0.99 -0.73 0.00 0.00 179.01 179.39 2c9i s THR 8 N -5.95 1.27 0.08 0.32 2.01 -1.26 -3.82 115.64 108.29 2c9i s THR 8 Ca -0.12 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.42 2c9i s THR 8 Cb 0.23 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2c9i s THR 8 CO 0.78 0.39 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.87 2c9i s MET 9 N 0.83 1.08 0.32 4.92 -1.94 -0.45 -4.99 119.30 119.06 2c9i s MET 9 Ca -0.11 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 52.81 2c9i s MET 9 Cb -0.15 -1.25 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 2c9i s MET 9 CO 0.02 0.29 0.52 1.03 -0.01 0.00 0.00 175.02 176.87 2c9i s ARG 10 N -1.73 3.50 -0.05 2.03 0.52 -0.19 -1.43 118.95 121.60 2c9i s ARG 10 Ca 0.04 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2c9i s ARG 10 Cb -0.10 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.69 2c9i s ARG 10 CO 0.03 0.20 -0.09 0.08 0.02 0.00 0.00 175.30 175.54 2c9i s VAL 11 N -2.22 0.88 -0.12 3.52 1.01 0.51 -0.35 120.40 123.63 2c9i s VAL 11 Ca 0.40 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2c9i s VAL 11 Cb -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2c9i s VAL 11 CO 0.34 0.29 -0.13 -1.58 0.00 0.00 0.00 175.10 174.02 2c9i s GLN 12 N 0.58 2.05 0.01 2.72 0.74 -0.17 -1.94 119.66 123.65 2c9i s GLN 12 Ca -0.10 -0.48 0.05 0.00 0.05 0.00 0.00 55.36 54.88 2c9i s GLN 12 Cb -0.13 -1.85 -0.02 0.00 1.10 0.00 0.00 33.01 32.11 2c9i s GLN 12 CO 0.02 -0.15 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.27 2c9i s LEU 13 N 1.27 2.08 -0.06 3.68 0.20 0.53 -0.34 118.68 126.04 2c9i s LEU 13 Ca -0.01 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.48 2c9i s LEU 13 Cb -0.14 -0.79 0.01 0.00 -0.43 0.00 0.00 46.19 44.85 2c9i s LEU 13 CO -0.05 0.15 -0.11 -0.94 -0.29 0.00 0.00 176.35 175.11 2c9i s SER 14 N -0.64 1.65 -0.04 3.68 1.04 0.01 -0.12 113.70 119.28 2c9i s SER 14 Ca 0.05 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.26 2c9i s SER 14 Cb -0.07 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.32 2c9i s SER 14 CO 0.00 0.04 -0.18 -0.32 0.98 0.00 0.00 173.24 173.76 2c9i s MET 15 N 0.60 1.80 0.09 4.02 0.00 0.16 -0.28 119.30 125.69 2c9i s MET 15 Ca -0.13 -0.64 0.03 0.00 0.00 0.00 0.00 55.69 54.96 2c9i s MET 15 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 34.83 33.06 2c9i s MET 15 CO 0.03 0.28 -0.09 -1.83 0.00 0.00 0.00 175.02 173.40 2c9i s GLU 16 N -0.04 0.81 0.00 4.11 -1.05 -0.72 -0.24 118.70 121.56 2c9i s GLU 16 Ca -0.02 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 2c9i s GLU 16 Cb -0.11 -0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.13 2c9i s GLU 16 CO 0.02 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.70 2c9i n GLY 17 N 0.55 -0.70 3.39 -3.83 0.00 -0.88 -1.35 105.19 102.36 2c9i n GLY 17 Ca -0.16 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.48 -0.07 1.61 1.04 -0.82 -0.82 113.70 110.16 2c9i s SER 18 Ca 0.00 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.22 2c9i s SER 18 Cb 0.00 0.81 0.02 0.00 0.10 0.00 0.00 66.02 66.95 2c9i s SER 18 CO 0.00 -0.30 -0.07 -0.69 0.98 0.00 0.00 173.24 173.15 2c9i s VAL 19 N -0.30 0.83 -1.13 5.02 1.01 -0.81 -0.24 120.40 124.77 2c9i s VAL 19 Ca -0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 2c9i s VAL 19 Cb -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2c9i s VAL 19 CO 0.03 0.30 0.76 0.59 0.00 0.00 0.00 175.10 176.78 2c9i n ASN 20 N 4.21 -5.13 0.00 3.32 5.03 -0.46 -1.82 115.26 120.41 2c9i n ASN 20 Ca -0.20 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.19 2c9i n ASN 20 Cb 0.51 -2.96 0.00 0.00 -1.02 0.00 0.00 39.78 36.31 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 -4.25 0.00 -3.64 3.10 4.02 -1.26 -4.97 117.16 110.15 2c9i n TYR 21 Ca -0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.39 2c9i n TYR 21 Cb 0.59 -0.61 -0.11 0.00 -0.02 0.00 0.00 39.34 39.19 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 -2.64 3.26 0.24 -0.72 2.46 -0.75 -5.07 115.29 112.05 2c9i s HIS 22 Ca 0.00 -1.15 -0.30 0.00 0.47 0.00 0.00 55.06 54.08 2c9i s HIS 22 Cb 0.00 -2.45 -0.09 0.00 -0.13 0.00 0.00 32.58 29.91 2c9i s HIS 22 CO 0.00 -0.70 0.93 0.00 -2.47 0.00 0.00 174.74 172.51 2c9i s ALA 23 N 1.50 3.34 0.15 1.58 0.00 -1.26 -1.93 121.76 125.14 2c9i s ALA 23 Ca 0.01 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 2c9i s ALA 23 Cb -0.20 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2c9i s ALA 23 CO 0.05 0.21 0.35 -0.59 0.00 0.00 0.00 175.76 175.79 2c9i s PHE 24 N -1.18 0.08 0.02 0.00 -0.12 -0.00 -4.25 117.98 112.53 2c9i s PHE 24 Ca 0.41 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.87 2c9i s PHE 24 Cb -0.26 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.25 2c9i s PHE 24 CO 0.32 -0.73 -0.06 0.15 -0.05 0.00 0.00 175.22 174.85 2c9i s LYS 25 N -3.88 0.44 0.03 1.99 1.02 -0.82 -2.08 119.74 116.43 2c9i s LYS 25 Ca 0.09 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.65 2c9i s LYS 25 Cb 0.02 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.01 2c9i s LYS 25 CO -0.06 0.07 -0.07 0.00 -0.92 0.00 0.00 175.35 174.37 2c9i s THR 27 N -1.18 1.77 -0.03 0.00 -4.23 -0.70 0.36 115.64 111.62 2c9i s THR 27 Ca -0.08 -1.62 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2c9i s THR 27 Cb -0.09 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2c9i s THR 27 CO 0.00 -0.09 -0.11 -0.83 -0.54 0.00 0.00 174.62 173.06 2c9i s GLY 28 N -2.04 0.62 -0.08 3.99 0.00 0.82 -1.34 107.32 109.29 2c9i s GLY 28 Ca 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.41 2c9i s GLY 28 CO 0.05 -0.10 -0.05 1.25 0.00 0.00 0.00 173.10 174.25 2c9i s LYS 29 N 0.23 1.14 0.04 2.90 2.36 -0.74 -0.35 119.74 125.31 2c9i s LYS 29 Ca -0.04 -0.14 -0.02 0.00 -2.55 0.00 0.00 55.97 53.22 2c9i s LYS 29 Cb -0.10 -1.23 0.01 0.00 -1.05 0.00 0.00 37.83 35.46 2c9i s LYS 29 CO 0.01 -0.20 0.10 0.41 1.55 0.00 0.00 175.35 177.21 2c9i n GLY 30 N 4.68 1.69 3.43 5.54 0.00 -0.82 -0.90 105.19 118.82 2c9i n GLY 30 Ca -0.15 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2c9i n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2c9i s GLU 31 N -2.01 1.25 0.15 1.61 1.03 -0.69 -0.36 118.70 119.69 2c9i s GLU 31 Ca 0.02 -0.85 -0.25 0.00 0.03 0.00 0.00 54.97 53.92 2c9i s GLU 31 Cb -0.00 0.49 0.07 0.00 -0.80 0.00 0.00 34.13 33.88 2c9i s GLU 31 CO 0.01 -0.51 0.98 0.20 -1.33 0.00 0.00 175.26 174.61 2c9i s GLY 32 N -2.86 -0.21 -0.43 -3.83 0.00 -0.51 -0.55 107.32 98.93 2c9i s GLY 32 Ca 0.08 0.11 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 2c9i s GLY 32 CO -0.06 0.17 0.25 0.54 0.00 0.00 0.00 173.10 174.00 2c9i s LYS 33 N -3.15 2.22 0.32 2.90 1.02 0.14 -1.34 119.74 121.84 2c9i s LYS 33 Ca 0.13 -1.75 0.02 0.00 0.02 0.00 0.00 55.97 54.38 2c9i s LYS 33 Cb -0.01 -3.69 0.57 0.00 -0.52 0.00 0.00 37.83 34.18 2c9i s LYS 33 CO 0.02 -1.08 1.95 -1.35 -0.92 0.00 0.00 175.35 173.96 2c9i h PRO 34 N 8.21 0.94 0.00 -1.68 0.11 -1.78 0.11 132.00 137.90 2c9i h PRO 34 Ca -0.17 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 65.67 2c9i h PRO 34 Cb 1.06 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 2c9i h PRO 34 CO 0.75 0.62 -1.28 1.88 -0.21 0.00 0.00 178.00 179.76 2c9i h TYR 35 N 0.97 0.00 0.00 0.65 -1.99 -1.83 -2.81 116.97 111.96 2c9i h TYR 35 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 2c9i h TYR 35 Cb 0.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2c9i h TYR 35 CO -0.00 0.87 0.00 0.93 -0.00 0.00 0.00 178.16 179.95 2c9i h GLU 36 N 0.00 0.00 -0.34 4.88 5.08 -1.81 -3.39 114.58 119.00 2c9i h GLU 36 Ca -0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2c9i h GLU 36 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2c9i h GLU 36 CO 0.09 0.00 -0.03 0.41 -1.00 0.00 0.00 179.01 178.47 2c9i n GLY 37 N 1.06 0.40 3.21 -3.84 0.00 0.32 -4.52 105.19 101.82 2c9i n GLY 37 Ca 0.04 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 2c9i n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c9i s THR 38 N -2.20 1.48 -0.05 2.61 2.01 -0.85 -0.64 115.64 118.00 2c9i s THR 38 Ca 0.01 -1.12 -0.21 0.00 0.31 0.00 0.00 61.69 60.68 2c9i s THR 38 Cb -0.00 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.25 2c9i s THR 38 CO 0.01 0.15 0.46 0.00 -0.69 0.00 0.00 174.62 174.54 2c9i s GLN 39 N -1.14 0.79 -0.02 4.92 -2.07 -0.61 0.24 119.66 121.78 2c9i s GLN 39 Ca 0.06 0.06 0.05 0.00 -1.82 0.00 0.00 55.36 53.71 2c9i s GLN 39 Cb -0.08 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 2c9i s GLN 39 CO 0.02 -0.22 -0.18 -1.12 -1.32 0.00 0.00 175.29 172.47 2c9i s SER 40 N -1.10 2.11 -0.06 12.60 0.01 0.29 -1.56 113.70 125.98 2c9i s SER 40 Ca -0.11 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.82 2c9i s SER 40 Cb -0.03 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.96 2c9i s SER 40 CO 0.06 0.22 -0.03 -0.22 0.41 0.00 0.00 173.24 173.67 2c9i s LEU 41 N -0.39 1.02 -0.46 2.44 2.96 0.23 -1.70 118.68 122.78 2c9i s LEU 41 Ca 0.06 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.65 2c9i s LEU 41 Cb -0.07 -0.49 0.04 0.00 0.50 0.00 0.00 46.19 46.16 2c9i s LEU 41 CO -0.01 -0.12 0.56 0.20 -1.32 0.00 0.00 176.35 175.67 2c9i s ASN 42 N 1.43 6.24 -0.24 3.68 0.01 -0.08 -0.88 114.94 125.10 2c9i s ASN 42 Ca -0.03 -0.70 -0.10 0.00 -0.71 0.00 0.00 52.86 51.32 2c9i s ASN 42 Cb -0.13 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 2c9i s ASN 42 CO -0.03 -0.76 0.14 -0.63 -1.51 0.00 0.00 177.10 174.31 2c9i s ILE 43 N 2.49 5.13 -0.16 0.60 1.01 -0.03 -1.80 121.20 128.44 2c9i s ILE 43 Ca 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2c9i s ILE 43 Cb -0.17 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 2c9i s ILE 43 CO 0.14 0.35 -0.07 0.28 0.00 0.00 0.00 174.94 175.63 2c9i s THR 44 N 1.14 3.47 -0.51 2.92 -1.32 -0.45 -0.79 115.64 120.10 2c9i s THR 44 Ca 0.07 -0.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.76 2c9i s THR 44 Cb -0.14 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 68.37 2c9i s THR 44 CO 0.05 0.49 1.14 -0.63 -2.21 0.00 0.00 174.62 173.46 2c9i s ILE 45 N 0.57 4.17 -0.13 5.08 1.01 0.13 -1.71 121.20 130.32 2c9i s ILE 45 Ca -0.05 1.09 0.17 0.00 0.00 0.00 0.00 60.65 61.86 2c9i s ILE 45 Cb -0.15 -4.63 -0.24 0.00 0.01 0.00 0.00 42.46 37.46 2c9i s ILE 45 CO 0.03 -1.10 0.38 1.07 0.00 0.00 0.00 174.94 175.33 2c9i n THR 46 N 6.77 1.27 -4.02 2.92 5.66 -0.36 -4.93 114.28 121.60 2c9i n THR 46 Ca 0.11 -0.78 -0.10 0.00 -3.05 0.00 0.00 64.05 60.23 2c9i n THR 46 Cb 0.49 -0.60 -0.11 0.00 -1.55 0.00 0.00 70.33 68.56 2c9i n THR 46 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2c9i s GLU 47 N -2.69 0.42 0.00 1.09 2.02 -0.90 -4.89 118.70 113.75 2c9i s GLU 47 Ca -0.07 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2c9i s GLU 47 Cb 0.08 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.31 2c9i s GLU 47 CO 0.83 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.49 2c9i n GLY 48 N 1.32 1.18 5.74 -1.39 0.00 -1.26 -1.95 105.19 108.83 2c9i n GLY 48 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.64 3.68 -0.02 0.00 -1.26 -3.90 105.19 103.62 2c9i n GLY 49 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.28 0.09 1.61 0.04 -1.26 -5.01 135.00 134.76 2c9i s PRO 50 Ca 0.00 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 2c9i s PRO 50 Cb 0.00 -3.62 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 2c9i s PRO 50 CO 0.00 -0.58 1.30 -0.51 0.04 0.00 0.00 177.00 177.24 2c9i s LEU 51 N 2.61 4.37 0.00 -3.56 1.02 -1.25 -4.92 118.68 116.95 2c9i s LEU 51 Ca 0.62 2.18 0.29 0.00 0.02 0.00 0.00 54.13 57.24 2c9i s LEU 51 Cb -0.29 -3.58 1.36 0.00 0.02 0.00 0.00 46.19 43.70 2c9i s LEU 51 CO 0.24 -0.56 1.98 -0.81 0.02 0.00 0.00 176.35 177.22 2c9i n PRO 52 N 3.90 0.22 -4.37 1.29 -0.04 -1.26 -4.82 135.00 129.92 2c9i n PRO 52 Ca 0.10 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 2c9i n PRO 52 Cb 0.44 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.78 2.52 0.18 0.54 -0.12 -1.26 -4.53 117.98 112.53 2c9i s PHE 53 Ca 0.21 -0.27 -0.32 0.00 -0.05 0.00 0.00 56.93 56.51 2c9i s PHE 53 Cb 0.19 -1.12 -0.11 0.00 -0.63 0.00 0.00 43.02 41.35 2c9i s PHE 53 CO 0.49 0.64 1.65 0.00 -0.05 0.00 0.00 175.22 177.94 2c9i s ALA 54 N -2.30 3.85 0.54 1.99 0.00 -0.08 -4.89 121.76 120.88 2c9i s ALA 54 Ca 0.30 1.46 0.22 0.00 0.00 0.00 0.00 51.96 53.94 2c9i s ALA 54 Cb -0.06 -3.66 1.45 0.00 0.00 0.00 0.00 23.12 20.85 2c9i s ALA 54 CO 0.17 -0.86 2.14 0.35 0.00 0.00 0.00 175.76 177.56 2c9i h PHE 55 N 6.89 0.00 -0.81 0.00 3.04 -1.94 -2.91 116.94 121.22 2c9i h PHE 55 Ca -0.43 0.00 0.22 0.00 3.98 0.00 0.00 57.97 61.74 2c9i h PHE 55 Cb 1.20 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.67 2c9i h PHE 55 CO 0.65 0.00 0.57 -0.44 -2.02 0.00 0.00 178.31 177.07 2c9i h ASP 56 N 0.00 0.11 0.56 0.41 3.32 -1.97 -0.84 116.42 118.01 2c9i h ASP 56 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2c9i h ASP 56 Cb 0.22 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2c9i h ASP 56 CO -0.00 0.04 0.00 2.30 -1.72 0.00 0.00 179.24 179.86 2c9i n ILE 57 N -4.36 0.40 0.35 0.35 -5.35 -1.10 -2.58 119.36 107.08 2c9i n ILE 57 Ca 0.16 0.10 0.11 0.00 -0.27 0.00 0.00 62.75 62.85 2c9i n ILE 57 Cb 0.80 -0.73 -0.15 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.38 0.36 -0.36 7.28 4.77 -0.32 -4.66 117.00 122.68 2c9i n LEU 58 Ca 0.08 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2c9i n LEU 58 Cb 0.21 -0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.44 2c9i n LEU 58 CO 0.18 0.08 1.27 0.28 -1.33 0.00 0.00 177.39 177.88 2c9i h SER 59 N 0.00 1.06 0.28 -1.43 0.02 -1.52 -1.34 113.55 110.61 2c9i h SER 59 Ca 0.00 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2c9i h SER 59 Cb 0.82 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2c9i h SER 59 CO 0.00 0.71 -0.26 0.45 -1.14 0.00 0.00 176.83 176.59 2c9i h HIS 60 N 1.22 0.00 0.00 3.45 3.86 -1.83 -2.72 115.15 119.13 2c9i h HIS 60 Ca 0.40 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.52 2c9i h HIS 60 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2c9i h HIS 60 CO -0.00 0.26 -0.44 0.00 0.86 0.00 0.00 177.93 178.61 2c9i h ALA 61 N 1.74 0.77 0.00 2.45 0.00 -1.56 -3.46 119.26 119.19 2c9i h ALA 61 Ca -0.00 -0.40 -0.62 0.00 0.00 0.00 0.00 54.91 53.90 2c9i h ALA 61 Cb 0.47 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2c9i h ALA 61 CO 0.03 0.54 3.43 1.19 0.00 0.00 0.00 179.25 184.45 2c9i n PHE 62 N -3.28 2.35 0.00 0.00 3.72 -1.00 -4.98 117.46 114.26 2c9i n PHE 62 Ca 0.02 -2.79 0.00 0.00 -0.05 0.00 0.00 57.45 54.63 2c9i n PHE 62 Cb 0.66 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 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 4.05 0.00 1.21 4.37 5.41 -1.26 -5.12 119.36 128.02 2c9i n ILE 66 Ca 0.67 0.00 0.11 0.00 1.00 0.00 0.00 62.75 64.52 2c9i n ILE 66 Cb 0.24 0.00 0.60 0.00 -0.71 0.00 0.00 39.64 39.77 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 0.52 -0.12 0.38 4.76 -1.26 -2.15 118.16 120.29 2c9i n LYS 67 Ca 0.00 0.04 0.07 0.00 -2.87 0.00 0.00 58.31 55.55 2c9i n LYS 67 Cb 0.00 -1.50 0.40 0.00 -1.84 0.00 0.00 35.03 32.09 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 1.02 -1.91 -0.18 2.07 -1.95 -3.29 116.25 112.01 2c9i h VAL 68 Ca 0.00 -0.22 -0.72 0.00 0.82 0.00 0.00 66.70 66.58 2c9i h VAL 68 Cb 0.09 0.32 -0.16 0.00 -1.52 0.00 0.00 31.29 30.02 2c9i h VAL 68 CO 0.00 0.12 1.47 -0.36 0.02 0.00 0.00 177.57 178.82 2c9i s PHE 69 N -5.58 3.29 -0.14 1.57 0.40 -0.91 -4.65 117.98 111.96 2c9i s PHE 69 Ca -0.09 -1.92 -0.07 0.00 -0.60 0.00 0.00 56.93 54.25 2c9i s PHE 69 Cb 0.19 -4.41 0.05 0.00 0.51 0.00 0.00 43.02 39.36 2c9i s PHE 69 CO 0.76 -1.50 0.32 0.00 0.70 0.00 0.00 175.22 175.50 2c9i s ALA 70 N 2.31 -0.79 -0.54 5.36 0.00 -1.07 -4.44 121.76 122.59 2c9i s ALA 70 Ca 0.44 1.25 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 2c9i s ALA 70 Cb -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2c9i s ALA 70 CO 0.00 -0.24 1.39 0.21 0.00 0.00 0.00 175.76 177.12 2c9i s LYS 71 N 1.36 3.36 -0.14 0.00 2.20 -0.35 -4.54 119.74 121.64 2c9i s LYS 71 Ca -0.09 0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 2c9i s LYS 71 Cb -0.10 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 2c9i s LYS 71 CO -0.11 -1.86 0.05 0.71 -0.36 0.00 0.00 175.35 173.78 2c9i s TYR 72 N 5.86 3.26 0.59 4.03 1.51 -1.26 -0.93 117.35 130.42 2c9i s TYR 72 Ca 0.53 0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 56.62 2c9i s TYR 72 Cb -0.11 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 2c9i s TYR 72 CO 0.26 0.36 1.02 -1.25 -1.11 0.00 0.00 175.55 174.83 2c9i s PRO 73 N -0.32 3.62 0.27 -1.71 0.04 -1.26 -4.98 135.00 130.66 2c9i s PRO 73 Ca 0.08 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.00 2c9i s PRO 73 Cb -0.12 -2.08 0.49 0.00 0.04 0.00 0.00 34.50 32.83 2c9i s PRO 73 CO 0.02 -0.55 1.85 -0.22 0.04 0.00 0.00 177.00 178.14 2c9i h LYS 74 N 0.13 1.00 0.00 4.56 3.11 -1.99 -2.69 116.57 120.69 2c9i h LYS 74 Ca -0.45 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2c9i h LYS 74 Cb 1.19 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 2c9i h LYS 74 CO 0.61 0.66 0.00 -0.85 -2.81 0.00 0.00 179.45 177.06 2c9i n GLU 75 N -4.60 0.06 -4.10 1.90 0.00 -1.26 -4.64 120.64 108.01 2c9i n GLU 75 Ca 0.17 0.18 -0.34 0.00 0.00 0.00 0.00 57.16 57.17 2c9i n GLU 75 Cb 0.29 -1.59 -0.14 0.00 0.00 0.00 0.00 31.44 30.00 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 -3.06 3.30 0.34 3.84 1.01 -1.02 -5.02 121.20 120.60 2c9i s ILE 76 Ca 0.10 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 2c9i s ILE 76 Cb 0.13 -2.48 -0.11 0.00 0.01 0.00 0.00 42.46 40.01 2c9i s ILE 76 CO 0.42 0.45 1.53 -2.65 0.00 0.00 0.00 174.94 174.69 2c9i n PRO 77 N 4.48 2.67 -3.29 2.79 -0.02 -1.26 -4.65 135.00 135.72 2c9i n PRO 77 Ca -0.18 0.94 -0.46 0.00 -2.02 0.00 0.00 63.50 61.78 2c9i n PRO 77 Cb 0.51 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.15 6.38 0.22 2.55 3.68 -1.26 -4.52 116.67 123.86 2c9i s ASP 78 Ca 0.58 -2.05 -0.08 0.00 2.13 0.00 0.00 52.55 53.13 2c9i s ASP 78 Cb -0.49 -2.22 0.27 0.00 -1.45 0.00 0.00 42.92 39.03 2c9i s ASP 78 CO 0.57 -0.80 1.81 0.15 0.13 0.00 0.00 175.17 177.02 2c9i h PHE 79 N 8.57 0.70 -0.22 -5.34 3.04 -1.94 -2.30 116.94 119.45 2c9i h PHE 79 Ca -0.16 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.64 2c9i h PHE 79 Cb 1.08 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.37 2c9i h PHE 79 CO 0.85 0.32 -0.59 0.74 -2.02 0.00 0.00 178.31 177.61 2c9i h PHE 80 N 0.69 0.92 -0.01 0.41 -1.00 -1.92 -1.33 116.94 114.71 2c9i h PHE 80 Ca 0.32 -0.34 -0.17 0.00 2.81 0.00 0.00 57.97 60.59 2c9i h PHE 80 Cb 0.23 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 2c9i h PHE 80 CO -0.08 1.13 -0.77 0.87 -1.61 0.00 0.00 178.31 177.85 2c9i h LYS 81 N 0.54 0.08 -0.47 1.51 1.57 -1.87 -2.39 116.57 115.54 2c9i h LYS 81 Ca 0.00 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2c9i h LYS 81 Cb 1.17 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2c9i h LYS 81 CO 0.12 0.81 -0.17 1.96 -0.57 0.00 0.00 179.45 181.60 2c9i h GLN 82 N 0.05 0.93 0.00 3.15 4.20 -1.30 -3.29 115.11 118.84 2c9i h GLN 82 Ca -0.02 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2c9i h GLN 82 Cb 1.35 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2c9i h GLN 82 CO 0.11 1.02 -0.47 0.77 -0.67 0.00 0.00 178.83 179.59 2c9i h SER 83 N 0.81 0.00 -0.11 1.46 0.02 -1.20 -3.39 113.55 111.14 2c9i h SER 83 Ca 0.12 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2c9i h SER 83 Cb 0.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2c9i h SER 83 CO 0.06 0.06 0.06 0.25 -1.14 0.00 0.00 176.83 176.12 2c9i h LEU 84 N 0.00 0.14 -0.64 5.07 7.12 -1.50 0.19 115.31 125.68 2c9i h LEU 84 Ca 0.00 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 57.96 2c9i h LEU 84 Cb 0.80 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.86 2c9i h LEU 84 CO 0.00 0.17 0.41 -0.65 -0.13 0.00 0.00 178.44 178.24 2c9i h PRO 85 N 0.09 0.79 0.00 5.25 0.11 -1.79 -2.62 132.00 133.84 2c9i h PRO 85 Ca 0.04 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 2c9i h PRO 85 Cb 0.06 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2c9i h PRO 85 CO -0.01 0.53 -0.50 0.78 -0.21 0.00 0.00 178.00 178.59 2c9i h GLY 86 N 0.82 0.00 0.00 -0.55 0.00 -1.81 -3.43 103.07 98.10 2c9i h GLY 86 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2c9i h GLY 86 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 2c9i n GLY 87 N 1.00 2.35 3.21 4.60 0.00 0.67 -4.75 105.19 112.27 2c9i n GLY 87 Ca 0.01 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.26 0.80 0.07 1.61 -0.12 -0.85 -1.51 117.98 116.74 2c9i s PHE 88 Ca 0.00 -1.15 0.02 0.00 -0.05 0.00 0.00 56.93 55.75 2c9i s PHE 88 Cb 0.00 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 2c9i s PHE 88 CO 0.00 -0.60 -0.08 -1.12 -0.05 0.00 0.00 175.22 173.37 2c9i s SER 89 N -3.05 1.04 0.06 1.98 0.01 0.07 -0.42 113.70 113.38 2c9i s SER 89 Ca 0.25 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2c9i s SER 89 Cb 0.06 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2c9i s SER 89 CO 0.04 -0.31 -0.06 -1.66 0.41 0.00 0.00 173.24 171.65 2c9i s TRP 90 N -2.36 0.68 0.03 2.43 1.48 -0.50 -1.17 118.94 119.53 2c9i s TRP 90 Ca 0.00 -0.69 0.01 0.00 -1.06 0.00 0.00 56.10 54.37 2c9i s TRP 90 Cb -0.03 -0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 31.85 2c9i s TRP 90 CO -0.02 -0.14 -0.06 -1.21 -4.06 0.00 0.00 176.95 171.46 2c9i s GLU 91 N -2.50 0.42 -0.08 3.25 2.02 -0.56 -0.32 118.70 120.93 2c9i s GLU 91 Ca -0.02 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 2c9i s GLU 91 Cb -0.03 -0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.03 2c9i s GLU 91 CO -0.02 0.03 0.22 0.50 0.02 0.00 0.00 175.26 176.01 2c9i s ARG 92 N -1.25 0.26 -0.20 1.61 3.52 -0.09 -0.43 118.95 122.37 2c9i s ARG 92 Ca -0.09 0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2c9i s ARG 92 Cb -0.08 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 2c9i s ARG 92 CO -0.00 -0.04 -0.11 0.08 -0.81 0.00 0.00 175.30 174.42 2c9i s VAL 93 N 0.15 2.82 -0.28 7.11 1.01 -0.87 -1.07 120.40 129.27 2c9i s VAL 93 Ca -0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2c9i s VAL 93 Cb -0.02 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.13 2c9i s VAL 93 CO 0.00 0.47 0.04 -0.44 0.00 0.00 0.00 175.10 175.17 2c9i s SER 94 N 1.38 4.88 -0.32 3.32 0.01 -0.22 -1.85 113.70 120.90 2c9i s SER 94 Ca 0.05 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 2c9i s SER 94 Cb -0.14 -1.81 0.04 0.00 0.21 0.00 0.00 66.02 64.32 2c9i s SER 94 CO -0.07 -0.18 0.07 -0.89 0.41 0.00 0.00 173.24 172.58 2c9i s THR 95 N 1.43 3.59 0.29 1.44 2.01 0.08 -0.87 115.64 123.61 2c9i s THR 95 Ca 0.01 -1.13 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 2c9i s THR 95 Cb -0.17 -3.01 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 2c9i s THR 95 CO 0.00 -0.11 0.87 -0.31 -0.69 0.00 0.00 174.62 174.38 2c9i s TYR 96 N 1.38 3.68 0.67 4.92 2.02 0.48 -0.74 117.35 129.75 2c9i s TYR 96 Ca -0.02 1.65 0.42 0.00 -0.37 0.00 0.00 57.07 58.75 2c9i s TYR 96 Cb -0.19 -2.82 2.29 0.00 -0.40 0.00 0.00 41.96 40.83 2c9i s TYR 96 CO 0.02 0.25 2.30 1.05 -1.57 0.00 0.00 175.55 177.59 2c9i h GLU 97 N 3.25 0.00 -0.60 -0.62 4.11 -1.51 -1.82 114.58 117.38 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 -3.08 3.61 0.00 3.06 3.85 -1.26 -4.98 116.55 117.75 2c9i n ASP 98 Ca -0.03 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 2c9i n ASP 98 Cb 0.12 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.50 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 1.29 1.02 3.76 6.12 0.00 -0.68 -4.64 105.19 112.06 2c9i n GLY 99 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.20 2.70 -0.11 -0.02 0.00 -1.20 -4.63 107.32 102.87 2c9i s GLY 100 Ca 0.00 1.32 -0.00 0.00 0.00 0.00 0.00 44.72 46.04 2c9i s GLY 100 CO 0.00 2.11 -0.09 0.14 0.00 0.00 0.00 173.10 175.26 2c9i s VAL 101 N -0.65 1.12 -0.28 1.40 1.01 -0.75 -0.38 120.40 121.86 2c9i s VAL 101 Ca 0.54 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2c9i s VAL 101 Cb -0.41 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2c9i s VAL 101 CO 0.50 0.38 0.04 -0.22 0.00 0.00 0.00 175.10 175.80 2c9i s LEU 102 N 1.55 3.69 -0.10 3.92 1.98 -0.05 -1.68 118.68 127.99 2c9i s LEU 102 Ca 0.03 -0.78 -0.06 0.00 -2.89 0.00 0.00 54.13 50.43 2c9i s LEU 102 Cb -0.13 -1.82 -0.04 0.00 0.66 0.00 0.00 46.19 44.86 2c9i s LEU 102 CO -0.07 -0.18 0.14 -0.44 -1.89 0.00 0.00 176.35 173.90 2c9i s SER 103 N 1.44 6.30 -0.00 3.68 0.01 0.39 -1.05 113.70 124.47 2c9i s SER 103 Ca 0.02 0.43 -0.06 0.00 1.31 0.00 0.00 55.95 57.64 2c9i s SER 103 Cb -0.17 -2.02 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 2c9i s SER 103 CO 0.00 0.39 0.11 0.00 0.41 0.00 0.00 173.24 174.16 2c9i s ALA 104 N -1.06 -0.27 0.02 1.44 0.00 -0.24 -0.28 121.76 121.37 2c9i s ALA 104 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2c9i s ALA 104 Cb -0.12 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2c9i s ALA 104 CO 0.06 -0.19 -0.04 -0.08 0.00 0.00 0.00 175.76 175.51 2c9i s THR 105 N -1.25 0.24 -0.07 0.00 -1.32 -0.72 -0.91 115.64 111.60 2c9i s THR 105 Ca -0.13 -0.64 -0.09 0.00 -1.21 0.00 0.00 61.69 59.61 2c9i s THR 105 Cb -0.07 -0.30 0.02 0.00 -1.51 0.00 0.00 72.50 70.63 2c9i s THR 105 CO 0.01 -0.26 0.24 -1.58 -2.21 0.00 0.00 174.62 170.82 2c9i s GLN 106 N -0.95 0.35 -0.08 7.08 -0.44 0.56 -1.51 119.66 124.67 2c9i s GLN 106 Ca -0.08 0.20 0.03 0.00 -2.50 0.00 0.00 55.36 53.01 2c9i s GLN 106 Cb -0.07 0.16 -0.02 0.00 -1.64 0.00 0.00 33.01 31.45 2c9i s GLN 106 CO -0.00 -0.06 -0.18 -2.00 0.50 0.00 0.00 175.29 173.54 2c9i s GLU 107 N -0.20 2.81 -0.11 1.67 2.12 -0.58 -1.41 118.70 123.01 2c9i s GLU 107 Ca -0.03 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.55 2c9i s GLU 107 Cb -0.03 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.00 2c9i s GLU 107 CO 0.01 0.39 -0.22 0.99 -0.54 0.00 0.00 175.26 175.88 2c9i s THR 108 N -0.14 1.99 0.18 -1.70 2.01 0.43 -1.59 115.64 116.82 2c9i s THR 108 Ca -0.03 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 2c9i s THR 108 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 2c9i s THR 108 CO 0.04 0.54 0.09 -0.94 -0.69 0.00 0.00 174.62 173.65 2c9i s SER 109 N 0.52 0.47 -0.07 3.53 1.04 -0.56 -2.00 113.70 116.64 2c9i s SER 109 Ca -0.15 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.02 2c9i s SER 109 Cb -0.17 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 2c9i s SER 109 CO 0.05 -0.76 -0.21 -0.22 0.98 0.00 0.00 173.24 173.09 2c9i s LEU 110 N -3.15 1.98 -0.28 2.42 2.96 -1.26 -0.48 118.68 120.88 2c9i s LEU 110 Ca 0.32 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2c9i s LEU 110 Cb 0.07 -1.21 0.09 0.00 0.50 0.00 0.00 46.19 45.64 2c9i s LEU 110 CO 0.08 0.16 0.07 -1.10 -1.32 0.00 0.00 176.35 174.25 2c9i s GLN 111 N 0.18 0.76 7.41 1.98 -0.21 -0.60 -4.99 119.66 124.18 2c9i s GLN 111 Ca -0.10 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.35 2c9i s GLN 111 Cb -0.15 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.82 2c9i s GLN 111 CO 0.05 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.74 2c9i n GLY 112 N 4.88 2.73 0.89 3.09 0.00 -1.26 -1.69 105.19 113.84 2c9i n GLY 112 Ca -0.04 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 9.57 3.66 -4.41 1.61 5.75 -1.26 -4.96 116.55 126.51 2c9i n ASP 113 Ca 0.00 -2.57 -0.40 0.00 -0.01 0.00 0.00 54.79 51.81 2c9i n ASP 113 Cb 0.00 -0.43 -0.11 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 1.59 4.49 -0.24 0.00 1.01 0.52 -1.55 121.20 127.02 2c9i s ILE 115 Ca 0.03 1.47 -0.13 0.00 0.00 0.00 0.00 60.65 62.02 2c9i s ILE 115 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2c9i s ILE 115 CO 0.07 -0.58 0.30 -0.63 0.00 0.00 0.00 174.94 174.10 2c9i s ILE 116 N 3.71 5.25 -0.12 2.92 -1.09 0.37 -1.00 121.20 131.24 2c9i s ILE 116 Ca 0.43 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 59.34 2c9i s ILE 116 Cb -0.11 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2c9i s ILE 116 CO 0.19 0.24 -0.22 0.00 -1.23 0.00 0.00 174.94 173.92 2c9i s LYS 118 N 0.49 1.97 -0.06 0.00 1.02 -0.62 -0.81 119.74 121.74 2c9i s LYS 118 Ca -0.14 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.57 2c9i s LYS 118 Cb -0.17 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2c9i s LYS 118 CO 0.05 -0.62 -0.13 0.08 -0.92 0.00 0.00 175.35 173.82 2c9i s VAL 119 N 1.17 3.21 -0.02 3.17 1.01 0.61 -1.52 120.40 128.03 2c9i s VAL 119 Ca -0.06 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2c9i s VAL 119 Cb -0.20 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2c9i s VAL 119 CO -0.06 0.59 -0.13 -1.59 0.00 0.00 0.00 175.10 173.91 2c9i s LYS 120 N -0.68 1.16 -0.01 2.72 -2.85 -0.57 -1.76 119.74 117.75 2c9i s LYS 120 Ca 0.10 -0.46 0.04 0.00 -1.00 0.00 0.00 55.97 54.65 2c9i s LYS 120 Cb -0.11 -1.09 -0.01 0.00 -2.06 0.00 0.00 37.83 34.56 2c9i s LYS 120 CO 0.01 0.25 -0.13 0.08 0.10 0.00 0.00 175.35 175.65 2c9i s VAL 121 N -0.16 1.05 -0.19 1.79 1.01 -0.46 -1.75 120.40 121.68 2c9i s VAL 121 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2c9i s VAL 121 Cb -0.07 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.50 2c9i s VAL 121 CO 0.00 0.29 0.08 -0.22 0.00 0.00 0.00 175.10 175.25 2c9i s LEU 122 N -0.34 0.58 -0.12 3.92 1.98 0.61 -1.95 118.68 123.37 2c9i s LEU 122 Ca 0.05 -0.77 0.00 0.00 -2.89 0.00 0.00 54.13 50.53 2c9i s LEU 122 Cb -0.05 -0.34 -0.02 0.00 0.66 0.00 0.00 46.19 46.44 2c9i s LEU 122 CO -0.00 -0.35 -0.12 -0.83 -1.89 0.00 0.00 176.35 173.15 2c9i s GLY 123 N 2.07 1.56 0.19 7.98 0.00 0.67 -0.46 107.32 119.32 2c9i s GLY 123 Ca 0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 2c9i s GLY 123 CO -0.13 -0.30 0.12 -0.51 0.00 0.00 0.00 173.10 172.28 2c9i s THR 124 N 0.11 0.04 -1.81 0.90 -4.23 -0.68 -1.36 115.64 108.61 2c9i s THR 124 Ca -0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2c9i s THR 124 Cb -0.15 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2c9i s THR 124 CO 0.04 -0.07 0.00 0.59 -0.54 0.00 0.00 174.62 174.64 2c9i n ASN 125 N -0.25 -5.43 -4.71 3.99 4.13 -1.26 -1.81 115.26 109.91 2c9i n ASN 125 Ca 0.01 0.42 -0.42 0.00 1.68 0.00 0.00 54.58 56.27 2c9i n ASN 125 Cb 0.66 -4.44 -0.03 0.00 -1.54 0.00 0.00 39.78 34.43 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 -2.51 3.25 0.17 3.10 0.40 -1.26 -3.21 117.98 117.92 2c9i s PHE 126 Ca 0.00 1.07 -0.32 0.00 -0.60 0.00 0.00 56.93 57.08 2c9i s PHE 126 Cb 0.00 -3.57 -0.12 0.00 0.51 0.00 0.00 43.02 39.84 2c9i s PHE 126 CO 0.00 -1.93 1.73 -0.35 0.70 0.00 0.00 175.22 175.37 2c9i n PRO 127 N 4.25 2.67 -0.12 0.24 -0.04 -1.26 -4.88 135.00 135.85 2c9i n PRO 127 Ca 0.11 0.97 0.14 0.00 -0.04 0.00 0.00 63.50 64.67 2c9i n PRO 127 Cb 0.44 -2.81 0.51 0.00 -0.04 0.00 0.00 33.50 31.60 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 7.10 2.08 -0.28 0.55 0.00 -1.98 -1.60 119.26 125.13 2c9i h ALA 128 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c9i h ALA 128 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2c9i h ALA 128 CO 0.94 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 180.04 2c9i n ASN 129 N -4.47 3.54 -4.88 0.00 5.03 -1.26 -4.51 115.26 108.71 2c9i n ASN 129 Ca 0.12 -2.67 -0.29 0.00 0.87 0.00 0.00 54.58 52.61 2c9i n ASN 129 Cb 0.45 -0.43 0.10 0.00 -1.02 0.00 0.00 39.78 38.88 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 -1.62 1.59 0.49 7.41 0.00 -0.60 -4.85 107.32 109.74 2c9i s GLY 130 Ca 0.35 -0.63 0.20 0.00 0.00 0.00 0.00 44.72 44.64 2c9i s GLY 130 CO 0.11 -0.13 2.06 -0.56 0.00 0.00 0.00 173.10 174.58 2c9i h PRO 131 N -1.14 0.00 0.05 2.90 0.13 -1.93 -1.45 132.00 130.57 2c9i h PRO 131 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2c9i h PRO 131 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2c9i h PRO 131 CO 0.65 0.13 -0.03 0.28 -0.23 0.00 0.00 178.00 178.81 2c9i h VAL 132 N 0.00 1.25 0.00 1.56 2.07 -1.92 0.28 116.25 119.49 2c9i h VAL 132 Ca -0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2c9i h VAL 132 Cb 0.26 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2c9i h VAL 132 CO 0.02 0.27 0.00 0.24 0.02 0.00 0.00 177.57 178.12 2c9i h MET 133 N -0.56 0.00 -0.21 1.57 2.86 -1.74 -0.10 114.93 116.75 2c9i h MET 133 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2c9i h MET 133 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2c9i h MET 133 CO 0.01 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.02 2c9i n GLN 134 N -2.68 2.29 -3.66 1.72 1.13 -0.56 -4.64 117.38 110.98 2c9i n GLN 134 Ca 0.04 -1.92 -0.24 0.00 -1.94 0.00 0.00 57.00 52.93 2c9i n GLN 134 Cb 0.43 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 29.34 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 1.21 -3.19 -1.73 -1.09 5.02 -0.71 -4.93 118.16 112.74 2c9i n LYS 135 Ca 0.17 0.57 -0.21 0.00 -2.02 0.00 0.00 58.31 56.82 2c9i n LYS 135 Cb 0.55 -4.85 0.06 0.00 -0.02 0.00 0.00 35.03 30.77 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 -4.12 3.21 -4.12 1.97 5.02 0.91 -4.99 118.16 116.03 2c9i n LYS 136 Ca -0.21 -3.92 -0.24 0.00 -2.02 0.00 0.00 58.31 51.92 2c9i n LYS 136 Cb 0.64 -2.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 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 -4.42 4.32 -0.27 -0.18 -4.23 -1.26 -1.04 115.64 108.56 2c9i s THR 137 Ca 0.51 -1.32 0.20 0.00 -1.18 0.00 0.00 61.69 59.90 2c9i s THR 137 Cb 0.42 -3.27 0.50 0.00 1.34 0.00 0.00 72.50 71.48 2c9i s THR 137 CO 0.02 -0.24 1.10 0.00 -0.54 0.00 0.00 174.62 174.97 2c9i n GLY 139 N -0.55 -1.08 3.87 0.00 0.00 -1.26 -4.72 105.19 101.44 2c9i n GLY 139 Ca 0.13 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.60 3.45 0.76 1.61 0.52 -1.26 -1.35 118.94 120.06 2c9i s TRP 140 Ca 0.00 0.94 -0.11 0.00 0.02 0.00 0.00 56.10 56.95 2c9i s TRP 140 Cb 0.00 -2.30 0.05 0.00 -1.15 0.00 0.00 33.47 30.06 2c9i s TRP 140 CO 0.00 0.28 1.08 -1.21 0.02 0.00 0.00 176.95 177.12 2c9i s GLU 141 N -2.67 2.41 0.80 4.98 0.41 -0.53 -4.83 118.70 119.27 2c9i s GLU 141 Ca 0.46 0.91 -0.13 0.00 -0.41 0.00 0.00 54.97 55.81 2c9i s GLU 141 Cb -0.12 -1.93 0.08 0.00 -1.78 0.00 0.00 34.13 30.37 2c9i s GLU 141 CO 0.20 -1.46 1.17 -1.25 -0.49 0.00 0.00 175.26 173.43 2c9i s PRO 142 N -5.03 1.80 0.28 0.39 0.04 -1.26 -4.74 135.00 126.47 2c9i s PRO 142 Ca 0.60 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 2c9i s PRO 142 Cb -0.15 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2c9i s PRO 142 CO 0.55 -2.06 0.35 -1.54 0.04 0.00 0.00 177.00 174.34 2c9i s SER 143 N -2.44 0.54 -0.08 6.66 1.04 -0.78 -4.83 113.70 113.81 2c9i s SER 143 Ca 0.70 -1.35 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 2c9i s SER 143 Cb -0.25 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.44 2c9i s SER 143 CO 0.51 -1.10 -0.03 0.28 0.98 0.00 0.00 173.24 173.88 2c9i s THR 144 N -3.67 0.63 -0.12 2.02 -1.32 -1.26 -0.57 115.64 111.35 2c9i s THR 144 Ca 0.32 -0.06 -0.05 0.00 -1.21 0.00 0.00 61.69 60.68 2c9i s THR 144 Cb 0.02 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.26 2c9i s THR 144 CO 0.16 0.29 0.08 -0.70 -2.21 0.00 0.00 174.62 172.24 2c9i s GLU 145 N 1.69 3.43 -0.27 7.08 2.12 0.76 -4.67 118.70 128.83 2c9i s GLU 145 Ca 0.02 -0.27 -0.19 0.00 0.36 0.00 0.00 54.97 54.88 2c9i s GLU 145 Cb -0.13 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 2c9i s GLU 145 CO -0.05 0.63 0.58 0.99 -0.54 0.00 0.00 175.26 176.87 2c9i s THR 146 N -0.63 5.01 -0.40 -1.70 2.01 0.18 -0.24 115.64 119.87 2c9i s THR 146 Ca 0.12 0.99 -0.18 0.00 0.31 0.00 0.00 61.69 62.92 2c9i s THR 146 Cb -0.12 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.50 2c9i s THR 146 CO 0.02 0.02 0.52 -0.69 -0.69 0.00 0.00 174.62 173.81 2c9i s VAL 147 N 2.44 4.99 -0.18 3.82 1.01 0.10 -1.84 120.40 130.74 2c9i s VAL 147 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2c9i s VAL 147 Cb -0.15 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 2c9i s VAL 147 CO 0.09 -0.41 -0.11 -0.63 0.00 0.00 0.00 175.10 174.04 2c9i s ILE 148 N 2.42 2.91 0.09 2.22 1.01 -0.24 -2.24 121.20 127.37 2c9i s ILE 148 Ca 0.17 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 2c9i s ILE 148 Cb -0.16 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 2c9i s ILE 148 CO 0.15 0.48 1.34 -2.16 0.00 0.00 0.00 174.94 174.76 2c9i s PRO 149 N 1.09 4.34 -0.19 2.79 0.04 -1.26 -0.36 135.00 141.45 2c9i s PRO 149 Ca 0.00 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 2c9i s PRO 149 Cb -0.15 -3.31 0.09 0.00 0.04 0.00 0.00 34.50 31.18 2c9i s PRO 149 CO -0.03 -0.41 0.34 0.50 0.04 0.00 0.00 177.00 177.44 2c9i s ARG 150 N 1.25 0.26 -0.27 4.56 3.52 -0.24 -4.86 118.95 123.17 2c9i s ARG 150 Ca 0.63 0.72 -0.10 0.00 -0.13 0.00 0.00 55.73 56.85 2c9i s ARG 150 Cb -0.34 -0.17 0.02 0.00 -1.56 0.00 0.00 34.95 32.89 2c9i s ARG 150 CO 0.29 -0.41 0.29 -0.40 -0.81 0.00 0.00 175.30 174.26 2c9i n ASP 151 N 5.36 -2.31 0.00 -2.12 3.85 -1.26 -1.27 116.55 118.81 2c9i n ASP 151 Ca -0.06 -0.23 0.00 0.00 -0.71 0.00 0.00 54.79 53.78 2c9i n ASP 151 Cb 0.50 -0.71 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 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 -0.48 2.76 0.00 6.12 0.00 -1.26 -4.91 105.19 107.42 2c9i n GLY 152 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.96 6.19 3.20 -0.02 0.00 -0.40 -4.67 105.19 107.54 2c9i n GLY 153 Ca 0.00 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.13 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 2.16 -0.18 0.99 1.02 -0.88 -1.07 118.68 120.72 2c9i s LEU 154 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.67 2c9i s LEU 154 Cb 0.00 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.41 2c9i s LEU 154 CO 0.00 0.11 -0.18 -0.22 0.02 0.00 0.00 176.35 176.08 2c9i s LEU 155 N -1.13 2.24 -0.13 1.79 2.96 0.51 -0.66 118.68 124.25 2c9i s LEU 155 Ca 0.05 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2c9i s LEU 155 Cb -0.08 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2c9i s LEU 155 CO 0.01 -0.00 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.22 2c9i s LEU 156 N 1.30 3.13 -0.03 -0.68 1.02 0.15 -1.08 118.68 122.49 2c9i s LEU 156 Ca 0.05 -0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.10 2c9i s LEU 156 Cb -0.13 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 2c9i s LEU 156 CO -0.11 0.20 -0.19 -0.13 0.02 0.00 0.00 176.35 176.14 2c9i s ARG 157 N 0.14 1.72 0.08 1.70 0.52 -0.77 -0.37 118.95 121.98 2c9i s ARG 157 Ca -0.03 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 2c9i s ARG 157 Cb -0.14 -1.57 0.01 0.00 0.52 0.00 0.00 34.95 33.76 2c9i s ARG 157 CO 0.03 0.35 0.24 0.34 0.02 0.00 0.00 175.30 176.28 2c9i s ASP 158 N -0.25 0.01 -0.53 0.23 -1.08 -0.92 -0.65 116.67 113.48 2c9i s ASP 158 Ca 0.02 -0.48 0.07 0.00 -0.52 0.00 0.00 52.55 51.64 2c9i s ASP 158 Cb -0.09 0.36 0.26 0.00 -1.46 0.00 0.00 42.92 41.98 2c9i s ASP 158 CO 0.01 -0.70 0.67 1.07 0.52 0.00 0.00 175.17 176.73 2c9i n THR 159 N 0.13 1.10 -2.33 1.71 5.66 -1.26 -1.21 114.28 118.07 2c9i n THR 159 Ca -0.16 -4.74 -0.36 0.00 -3.05 0.00 0.00 64.05 55.74 2c9i n THR 159 Cb 0.62 -1.94 -0.01 0.00 -1.55 0.00 0.00 70.33 67.44 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 -2.02 3.67 -0.13 1.09 0.04 -1.16 -4.81 135.00 131.67 2c9i s PRO 160 Ca 0.38 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 2c9i s PRO 160 Cb 0.17 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2c9i s PRO 160 CO -0.06 -0.59 -0.13 0.00 0.04 0.00 0.00 177.00 176.26 2c9i s ALA 161 N -1.70 2.64 -0.26 8.56 0.00 -1.26 -2.05 121.76 127.69 2c9i s ALA 161 Ca 0.67 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 2c9i s ALA 161 Cb -0.24 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 2c9i s ALA 161 CO 0.29 0.25 0.17 -1.17 0.00 0.00 0.00 175.76 175.30 2c9i s LEU 162 N 0.34 4.03 0.30 0.00 2.96 0.14 -1.46 118.68 124.99 2c9i s LEU 162 Ca -0.10 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.55 2c9i s LEU 162 Cb -0.16 -2.10 -0.10 0.00 0.50 0.00 0.00 46.19 44.33 2c9i s LEU 162 CO 0.06 0.00 1.30 -0.04 -1.32 0.00 0.00 176.35 176.35 2c9i s MET 163 N 1.43 4.38 0.24 1.98 -1.94 -0.46 -0.22 119.30 124.71 2c9i s MET 163 Ca 0.07 2.16 0.08 0.00 -1.71 0.00 0.00 55.69 56.29 2c9i s MET 163 Cb -0.15 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 2c9i s MET 163 CO 0.08 -0.18 0.03 -0.51 -0.01 0.00 0.00 175.02 174.43 2c9i s LEU 164 N -1.36 3.34 0.49 -0.03 1.43 -0.60 -0.12 118.68 121.83 2c9i s LEU 164 Ca 0.51 -0.50 0.17 0.00 -1.03 0.00 0.00 54.13 53.28 2c9i s LEU 164 Cb -0.39 -1.91 1.19 0.00 0.03 0.00 0.00 46.19 45.12 2c9i s LEU 164 CO 0.49 0.02 2.07 0.00 0.23 0.00 0.00 176.35 179.16 2c9i h ALA 165 N 2.06 1.76 0.00 4.21 0.00 -1.38 -2.27 119.26 123.64 2c9i h ALA 165 Ca -0.46 -0.09 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 0.60 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 2c9i n ASP 166 N -4.31 0.51 0.00 0.00 5.68 -1.26 -4.91 116.55 112.25 2c9i n ASP 166 Ca -0.03 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2c9i n ASP 166 Cb 0.18 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 0.93 0.53 0.00 6.12 0.00 -0.85 -5.09 105.19 106.84 2c9i n GLY 167 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.32 0.77 3.07 -0.02 0.00 -1.26 -4.83 105.19 101.60 2c9i n GLY 168 Ca 0.00 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 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 1.05 0.81 -0.19 1.61 3.76 -1.26 -1.55 115.29 119.51 2c9i s HIS 169 Ca 0.00 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.52 2c9i s HIS 169 Cb 0.00 -0.48 -0.00 0.00 1.11 0.00 0.00 32.58 33.20 2c9i s HIS 169 CO 0.00 -0.03 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.59 2c9i s LEU 170 N -1.18 2.64 0.13 0.89 2.96 0.70 -4.93 118.68 119.89 2c9i s LEU 170 Ca -0.04 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2c9i s LEU 170 Cb -0.08 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2c9i s LEU 170 CO 0.01 0.02 0.11 -0.44 -1.32 0.00 0.00 176.35 174.73 2c9i s SER 171 N 1.20 5.52 0.05 3.68 0.01 -1.26 0.26 113.70 123.17 2c9i s SER 171 Ca 0.02 -0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.19 2c9i s SER 171 Cb -0.14 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 2c9i s SER 171 CO -0.04 0.11 -0.04 0.00 0.41 0.00 0.00 173.24 173.68 2c9i s PHE 173 N -3.45 3.26 -0.11 0.00 2.99 0.08 -3.01 117.98 117.74 2c9i s PHE 173 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 56.93 57.03 2c9i s PHE 173 Cb 0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 43.02 40.92 2c9i s PHE 173 CO -0.08 0.11 -0.06 -1.64 -0.00 0.00 0.00 175.22 173.56 2c9i s MET 174 N 0.55 3.19 -0.20 0.44 -1.94 -0.35 -0.74 119.30 120.24 2c9i s MET 174 Ca 0.04 -0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 53.47 2c9i s MET 174 Cb -0.13 -2.74 0.06 0.00 2.01 0.00 0.00 34.83 34.04 2c9i s MET 174 CO 0.01 0.46 0.01 -1.21 -0.01 0.00 0.00 175.02 174.28 2c9i s GLU 175 N -0.25 0.93 -0.13 2.03 2.02 -0.77 -2.17 118.70 120.35 2c9i s GLU 175 Ca 0.04 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.48 2c9i s GLU 175 Cb -0.13 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 31.89 2c9i s GLU 175 CO 0.02 -0.62 -0.18 0.99 0.02 0.00 0.00 175.26 175.50 2c9i s THR 176 N 1.73 2.53 0.01 3.63 2.01 0.51 -2.05 115.64 124.01 2c9i s THR 176 Ca -0.02 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2c9i s THR 176 Cb -0.17 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2c9i s THR 176 CO -0.07 0.53 0.09 0.42 -0.69 0.00 0.00 174.62 174.90 2c9i s THR 177 N 0.59 4.77 -0.04 -0.82 -4.23 0.43 0.31 115.64 116.64 2c9i s THR 177 Ca -0.10 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 2c9i s THR 177 Cb -0.16 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2c9i s THR 177 CO 0.03 0.30 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.98 2c9i s TYR 178 N -1.25 1.34 -0.04 3.99 1.51 0.16 -1.50 117.35 121.56 2c9i s TYR 178 Ca 0.25 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2c9i s TYR 178 Cb -0.12 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.80 2c9i s TYR 178 CO 0.16 -0.17 -0.06 0.21 -1.11 0.00 0.00 175.55 174.58 2c9i s LYS 179 N 0.29 0.94 0.08 -0.62 2.20 -0.32 -2.07 119.74 120.24 2c9i s LYS 179 Ca -0.07 -0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 55.33 2c9i s LYS 179 Cb -0.12 -0.90 -0.05 0.00 -1.51 0.00 0.00 37.83 35.26 2c9i s LYS 179 CO 0.02 -0.05 0.33 0.45 -0.36 0.00 0.00 175.35 175.74 2c9i s SER 180 N 0.80 6.50 0.13 1.43 0.15 -1.26 -0.75 113.70 120.70 2c9i s SER 180 Ca -0.12 0.57 -0.08 0.00 0.70 0.00 0.00 55.95 57.02 2c9i s SER 180 Cb -0.14 -2.09 -0.09 0.00 -1.71 0.00 0.00 66.02 62.00 2c9i s SER 180 CO 0.01 0.14 1.34 0.11 1.20 0.00 0.00 173.24 176.04 2c9i h LYS 181 N 3.33 0.61 -6.09 5.44 1.57 -1.56 -3.44 116.57 116.42 2c9i h LYS 181 Ca -0.47 -0.53 -0.65 0.00 -1.87 0.00 0.00 60.65 57.13 2c9i h LYS 181 Cb 1.18 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.51 2c9i h LYS 181 CO 0.70 1.15 -0.59 0.15 -0.57 0.00 0.00 179.45 180.29 2c9i s LYS 182 N -3.60 2.97 0.07 3.15 -0.14 -1.26 -5.08 119.74 115.85 2c9i s LYS 182 Ca -0.08 -0.59 -0.31 0.00 -1.36 0.00 0.00 55.97 53.63 2c9i s LYS 182 Cb 0.09 -2.79 -0.07 0.00 -1.68 0.00 0.00 37.83 33.38 2c9i s LYS 182 CO 0.88 0.61 1.42 -2.00 -0.76 0.00 0.00 175.35 175.50 2c9i s GLU 183 N -2.05 4.29 0.37 1.68 2.12 -1.26 -4.96 118.70 118.88 2c9i s GLU 183 Ca 0.26 2.06 0.05 0.00 0.36 0.00 0.00 54.97 57.70 2c9i s GLU 183 Cb -0.12 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 2c9i s GLU 183 CO 0.18 -0.52 0.04 0.14 -0.54 0.00 0.00 175.26 174.56 2c9i s VAL 184 N 1.72 1.54 -0.28 3.70 -7.23 -1.26 -5.10 120.40 113.50 2c9i s VAL 184 Ca 0.65 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 2c9i s VAL 184 Cb -0.35 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2c9i s VAL 184 CO 0.29 0.00 0.88 -0.75 -0.31 0.00 0.00 175.10 175.21 2c9i s LYS 185 N -3.81 4.09 0.27 4.82 2.36 -1.26 -5.03 119.74 121.18 2c9i s LYS 185 Ca 0.35 0.88 -0.29 0.00 -2.55 0.00 0.00 55.97 54.36 2c9i s LYS 185 Cb 0.09 -3.69 -0.09 0.00 -1.05 0.00 0.00 37.83 33.09 2c9i s LYS 185 CO 0.16 -0.65 0.97 -0.51 1.55 0.00 0.00 175.35 176.87 2c9i s LEU 186 N 3.06 4.54 0.72 5.43 1.02 -1.26 -4.65 118.68 127.54 2c9i s LEU 186 Ca 0.37 1.98 -0.08 0.00 0.02 0.00 0.00 54.13 56.42 2c9i s LEU 186 Cb -0.14 -3.73 0.06 0.00 0.02 0.00 0.00 46.19 42.39 2c9i s LEU 186 CO 0.10 0.03 1.06 -2.16 0.02 0.00 0.00 176.35 175.40 2c9i s PRO 187 N -1.48 2.26 0.96 1.29 0.04 -1.26 -4.91 135.00 131.90 2c9i s PRO 187 Ca 0.44 -0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.27 2c9i s PRO 187 Cb -0.25 -2.10 0.18 0.00 0.04 0.00 0.00 34.50 32.36 2c9i s PRO 187 CO 0.32 -1.27 1.21 -1.21 0.04 0.00 0.00 177.00 176.08 2c9i s GLU 188 N -5.33 0.70 0.20 4.56 8.01 -1.26 -4.52 118.70 121.07 2c9i s GLU 188 Ca 0.60 -0.07 -0.31 0.00 0.01 0.00 0.00 54.97 55.20 2c9i s GLU 188 Cb -0.11 -1.82 -0.11 0.00 -4.31 0.00 0.00 34.13 27.78 2c9i s GLU 188 CO 0.47 -2.43 1.62 -1.17 0.01 0.00 0.00 175.26 173.76 2c9i s LEU 189 N -6.05 4.37 0.00 1.80 0.20 -1.26 -4.77 118.68 112.96 2c9i s LEU 189 Ca 0.68 2.76 0.00 0.00 0.69 0.00 0.00 54.13 58.26 2c9i s LEU 189 Cb -0.09 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 2c9i s LEU 189 CO 0.53 -0.88 0.00 0.00 -0.29 0.00 0.00 176.35 175.71 2c9i n HIS 190 N 3.61 -0.62 -4.20 5.38 1.44 -0.95 -4.94 115.22 114.94 2c9i n HIS 190 Ca 0.13 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.65 2c9i n HIS 190 Cb 0.37 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.36 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 -6.35 1.34 -0.14 -1.40 0.08 -0.48 0.01 117.98 111.03 2c9i s PHE 191 Ca 0.00 -0.47 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 2c9i s PHE 191 Cb 0.00 -0.74 -0.03 0.00 -0.57 0.00 0.00 43.02 41.68 2c9i s PHE 191 CO 0.00 0.09 0.02 -1.01 -0.10 0.00 0.00 175.22 174.22 2c9i s HIS 192 N -1.40 3.17 -0.30 0.36 3.76 0.67 -1.50 115.29 120.04 2c9i s HIS 192 Ca 0.01 0.01 -0.08 0.00 -0.15 0.00 0.00 55.06 54.85 2c9i s HIS 192 Cb -0.09 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.65 2c9i s HIS 192 CO 0.03 0.22 0.12 -1.01 -0.85 0.00 0.00 174.74 173.24 2c9i s HIS 193 N -0.08 3.16 0.09 1.40 0.09 0.38 -0.17 115.29 120.16 2c9i s HIS 193 Ca 0.04 -0.77 0.08 0.00 -0.00 0.00 0.00 55.06 54.41 2c9i s HIS 193 Cb -0.13 -2.30 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 2c9i s HIS 193 CO 0.02 -0.52 -0.15 -0.51 -0.00 0.00 0.00 174.74 173.58 2c9i s LEU 194 N 1.56 2.79 -0.16 0.89 2.01 0.27 -1.53 118.68 124.50 2c9i s LEU 194 Ca 0.04 -0.47 -0.04 0.00 0.01 0.00 0.00 54.13 53.67 2c9i s LEU 194 Cb -0.17 -1.63 0.07 0.00 0.01 0.00 0.00 46.19 44.47 2c9i s LEU 194 CO 0.04 0.20 0.14 -0.60 1.01 0.00 0.00 176.35 177.14 2c9i s ARG 195 N -1.98 0.09 -0.19 1.70 3.52 -0.70 -1.87 118.95 119.53 2c9i s ARG 195 Ca 0.18 0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.91 2c9i s ARG 195 Cb -0.11 -1.31 -0.00 0.00 -1.56 0.00 0.00 34.95 31.98 2c9i s ARG 195 CO 0.10 -0.59 -0.11 1.41 -0.81 0.00 0.00 175.30 175.30 2c9i s MET 196 N 2.23 3.26 -0.01 5.12 -2.45 -1.26 -1.97 119.30 124.23 2c9i s MET 196 Ca 0.04 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.79 2c9i s MET 196 Cb -0.15 -2.79 0.00 0.00 1.25 0.00 0.00 34.83 33.14 2c9i s MET 196 CO -0.09 -0.10 -0.04 -1.21 1.05 0.00 0.00 175.02 174.63 2c9i s GLU 197 N 1.15 0.32 -0.16 4.11 2.02 0.09 -4.47 118.70 121.76 2c9i s GLU 197 Ca 0.01 -0.12 -0.27 0.00 0.02 0.00 0.00 54.97 54.61 2c9i s GLU 197 Cb -0.14 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 33.75 2c9i s GLU 197 CO -0.04 0.06 0.92 0.15 0.02 0.00 0.00 175.26 176.37 2c9i s LYS 198 N 0.02 4.32 -0.16 1.61 1.02 -1.26 -0.50 119.74 124.80 2c9i s LYS 198 Ca 0.00 1.18 0.11 0.00 0.02 0.00 0.00 55.97 57.28 2c9i s LYS 198 Cb -0.03 -3.58 -0.23 0.00 -0.52 0.00 0.00 37.83 33.47 2c9i s LYS 198 CO -0.00 -0.38 0.23 1.28 -0.92 0.00 0.00 175.35 175.56 2c9i n LEU 199 N 5.36 1.08 -3.67 3.17 4.77 0.10 -4.98 117.00 122.83 2c9i n LEU 199 Ca 0.07 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 2c9i n LEU 199 Cb 0.48 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2c9i n LEU 199 CO 0.50 0.59 0.22 0.21 -1.33 0.00 0.00 177.39 177.58 2c9i s ASN 200 N -6.03 -0.50 -0.05 -1.43 3.84 -1.21 -4.98 114.94 104.57 2c9i s ASN 200 Ca -0.14 0.81 0.03 0.00 0.21 0.00 0.00 52.86 53.76 2c9i s ASN 200 Cb 0.07 0.83 0.01 0.00 -0.55 0.00 0.00 41.25 41.61 2c9i s ASN 200 CO 0.78 -0.32 -0.12 -0.63 -2.79 0.00 0.00 177.10 174.02 2c9i s ILE 201 N -0.32 1.11 0.84 -5.21 1.01 -1.26 -0.64 121.20 116.73 2c9i s ILE 201 Ca -0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 2c9i s ILE 201 Cb -0.03 -1.00 0.10 0.00 0.01 0.00 0.00 42.46 41.54 2c9i s ILE 201 CO 0.03 0.34 1.12 -0.94 0.00 0.00 0.00 174.94 175.50 2c9i s SER 202 N 0.46 3.71 0.40 3.58 1.04 0.87 -4.91 113.70 118.84 2c9i s SER 202 Ca -0.10 2.02 0.09 0.00 0.48 0.00 0.00 55.95 58.43 2c9i s SER 202 Cb -0.14 -2.55 0.84 0.00 0.10 0.00 0.00 66.02 64.28 2c9i s SER 202 CO 0.03 -2.58 1.99 0.44 0.98 0.00 0.00 173.24 174.10 2c9i h ASP 203 N -1.48 0.33 -0.13 7.02 3.45 -2.01 -1.70 116.42 121.90 2c9i h ASP 203 Ca -0.43 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2c9i h ASP 203 Cb 1.25 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2c9i h ASP 203 CO 0.46 0.35 0.00 -0.90 -1.57 0.00 0.00 179.24 177.58 2c9i n ASP 204 N -4.38 1.32 -0.35 6.45 3.85 -1.26 -4.93 116.55 117.25 2c9i n ASP 204 Ca 0.01 -1.64 -0.05 0.00 -0.71 0.00 0.00 54.79 52.40 2c9i n ASP 204 Cb 0.16 -0.08 -0.02 0.00 -1.35 0.00 0.00 41.12 39.83 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 0.09 0.00 0.05 2.11 8.01 -0.64 -4.85 117.44 122.21 2c9i n TRP 205 Ca 0.16 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.40 2c9i n TRP 205 Cb 0.28 -2.00 -0.06 0.00 -2.01 0.00 0.00 31.31 27.51 2c9i n TRP 205 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2c9i n LYS 206 N -0.41 0.62 -5.23 -0.99 4.01 -1.26 -4.90 118.16 109.99 2c9i n LYS 206 Ca -0.05 0.12 -0.31 0.00 -0.51 0.00 0.00 58.31 57.56 2c9i n LYS 206 Cb 0.46 -1.77 -0.17 0.00 -0.51 0.00 0.00 35.03 33.04 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 -3.16 2.02 -0.02 -0.18 2.01 -1.26 0.22 115.64 115.26 2c9i s THR 207 Ca -0.03 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 2c9i s THR 207 Cb 0.10 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2c9i s THR 207 CO 0.82 0.56 0.04 0.54 -0.69 0.00 0.00 174.62 175.89 2c9i s VAL 208 N -0.08 -0.05 -0.24 3.82 0.11 0.03 -0.09 120.40 123.91 2c9i s VAL 208 Ca -0.06 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 58.99 2c9i s VAL 208 Cb -0.14 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2c9i s VAL 208 CO 0.04 0.07 0.47 -0.70 -3.33 0.00 0.00 175.10 171.66 2c9i s GLU 209 N 0.89 4.11 -0.11 1.54 2.12 0.19 -0.85 118.70 126.59 2c9i s GLU 209 Ca -0.07 0.28 0.04 0.00 0.36 0.00 0.00 54.97 55.57 2c9i s GLU 209 Cb -0.10 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.68 2c9i s GLU 209 CO -0.03 -0.24 -0.24 -1.14 -0.54 0.00 0.00 175.26 173.08 2c9i s GLN 210 N 1.94 3.05 0.09 4.30 0.74 -0.06 0.00 119.66 129.72 2c9i s GLN 210 Ca 0.20 -0.88 0.09 0.00 0.05 0.00 0.00 55.36 54.83 2c9i s GLN 210 Cb -0.15 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 2c9i s GLN 210 CO 0.09 0.15 -0.19 -1.58 -0.55 0.00 0.00 175.29 173.21 2c9i s HIS 211 N 0.41 2.51 -0.08 1.67 5.65 0.35 -0.60 115.29 125.20 2c9i s HIS 211 Ca -0.17 -0.28 -0.06 0.00 0.25 0.00 0.00 55.06 54.80 2c9i s HIS 211 Cb -0.18 -1.38 0.03 0.00 -1.18 0.00 0.00 32.58 29.88 2c9i s HIS 211 CO 0.07 0.33 0.21 -2.00 -0.65 0.00 0.00 174.74 172.70 2c9i s GLU 212 N -1.86 0.21 -0.05 2.88 2.12 -0.60 -0.73 118.70 120.67 2c9i s GLU 212 Ca 0.16 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.90 2c9i s GLU 212 Cb -0.10 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 2c9i s GLU 212 CO 0.08 -0.08 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.39 2c9i s SER 213 N 0.52 2.62 -0.05 -1.70 0.01 -0.83 -1.58 113.70 112.70 2c9i s SER 213 Ca -0.03 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.81 2c9i s SER 213 Cb -0.05 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.48 2c9i s SER 213 CO -0.03 0.20 -0.07 -0.69 0.41 0.00 0.00 173.24 173.07 2c9i s VAL 214 N -0.07 0.68 -0.14 3.43 1.01 0.19 -1.72 120.40 123.78 2c9i s VAL 214 Ca -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2c9i s VAL 214 Cb -0.13 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2c9i s VAL 214 CO 0.03 0.25 -0.15 -0.69 0.00 0.00 0.00 175.10 174.54 2c9i s VAL 215 N 0.76 1.62 -0.03 2.92 1.01 -0.58 -1.21 120.40 124.89 2c9i s VAL 215 Ca -0.11 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 2c9i s VAL 215 Cb -0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2c9i s VAL 215 CO 0.01 0.47 0.42 0.00 0.00 0.00 0.00 175.10 176.00 2c9i s ALA 216 N 1.30 3.63 -0.02 5.51 0.00 -0.10 -0.47 121.76 131.61 2c9i s ALA 216 Ca 0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2c9i s ALA 216 Cb -0.14 -2.46 0.09 0.00 0.00 0.00 0.00 23.12 20.62 2c9i s ALA 216 CO -0.08 0.34 0.80 0.45 0.00 0.00 0.00 175.76 177.26 2c9i s SER 217 N -0.58 -0.49 0.89 0.00 0.15 -0.56 -4.31 113.70 108.80 2c9i s SER 217 Ca 0.24 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 57.06 2c9i s SER 217 Cb -0.16 0.45 0.12 0.00 -1.71 0.00 0.00 66.02 64.73 2c9i s SER 217 CO 0.12 -0.63 1.11 -0.31 1.20 0.00 0.00 173.24 174.73 2c9i s TYR 218 N -2.25 2.50 0.28 3.44 4.12 -1.26 -1.38 117.35 122.80 2c9i s TYR 218 Ca -0.02 1.05 -0.30 0.00 0.02 0.00 0.00 57.07 57.82 2c9i s TYR 218 Cb -0.01 -3.24 -0.11 0.00 -1.52 0.00 0.00 41.96 37.08 2c9i s TYR 218 CO -0.02 -2.28 1.61 0.45 0.02 0.00 0.00 175.55 175.32 2c9i s SER 219 N -3.77 6.38 0.00 2.29 0.15 -1.26 -4.90 113.70 112.59 2c9i s SER 219 Ca 0.63 2.94 0.27 0.00 0.70 0.00 0.00 55.95 60.49 2c9i s SER 219 Cb -0.16 -2.63 0.95 0.00 -1.71 0.00 0.00 66.02 62.47 2c9i s SER 219 CO 0.55 -0.92 1.68 0.00 1.20 0.00 0.00 173.24 175.76 2c9i n GLN 220 N 2.41 1.05 -3.02 5.44 1.13 -1.26 -4.83 117.38 118.31 2c9i n GLN 220 Ca 0.09 -0.57 -0.40 0.00 -1.94 0.00 0.00 57.00 54.18 2c9i n GLN 220 Cb 0.37 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.19 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 -2.34 5.00 0.67 5.09 0.11 -1.26 -5.04 120.40 122.63 2c9i s VAL 221 Ca 0.30 1.46 -0.17 0.00 -2.93 0.00 0.00 61.98 60.63 2c9i s VAL 221 Cb 0.20 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2c9i s VAL 221 CO 0.46 0.18 1.29 -2.65 -3.33 0.00 0.00 175.10 171.04 2c9i n PRO 222 N 4.29 1.01 -4.06 1.54 -0.02 -1.26 -5.04 135.00 131.46 2c9i n PRO 222 Ca 0.00 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 2c9i n PRO 222 Cb 0.51 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.47 5.52 0.03 2.55 0.15 -1.26 -5.01 113.70 114.21 2c9i s SER 223 Ca 0.82 0.00 0.23 0.00 0.70 0.00 0.00 55.95 57.70 2c9i s SER 223 Cb -0.37 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 2c9i s SER 223 CO 0.41 0.18 1.01 0.29 1.20 0.00 0.00 173.24 176.34 2c9i n LYS 224 N 0.55 0.22 -0.14 5.44 4.76 -1.26 -4.29 118.16 123.44 2c9i n LYS 224 Ca -0.09 -0.02 0.07 0.00 -2.87 0.00 0.00 58.31 55.40 2c9i n LYS 224 Cb 0.52 -1.56 0.14 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 -1.84 2.79 -0.98 -0.35 4.32 -1.26 -4.97 117.00 114.71 2c9i n LEU 225 Ca 0.02 -1.67 -0.10 0.00 -0.02 0.00 0.00 56.01 54.24 2c9i n LEU 225 Cb 0.41 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 42.01 2c9i n LEU 225 CO 0.41 0.65 -0.11 0.61 -1.22 0.00 0.00 177.39 177.72 2c9i n GLY 226 N 0.73 0.35 3.89 -0.72 0.00 -1.26 -5.02 105.19 103.16 2c9i n GLY 226 Ca 0.12 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.44 3.54 -2.00 1.61 5.04 -1.26 -5.09 115.29 114.69 2c9i s HIS 227 Ca 0.00 0.61 0.11 0.00 -1.54 0.00 0.00 55.06 54.24 2c9i s HIS 227 Cb 0.00 -2.03 0.63 0.00 0.04 0.00 0.00 32.58 31.22 2c9i s HIS 227 CO 0.00 0.52 1.07 0.09 -2.34 0.00 0.00 174.74 174.08