#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 2.60 -0.84 -0.72 -0.02 -1.26 -2.72 135.00 132.05 2c9i n PRO 3 Ca 0.00 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2c9i n PRO 3 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 2c9i n PRO 3 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2c9i n SER 4 N 1.66 -0.09 -4.49 2.55 2.88 -1.26 -4.85 113.62 110.01 2c9i n SER 4 Ca 0.07 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.20 2c9i n SER 4 Cb 0.37 -0.86 -0.11 0.00 -0.75 0.00 0.00 64.21 62.86 2c9i n SER 4 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2c9i s ILE 5 N -2.96 5.15 0.46 2.46 -1.09 -1.10 -4.97 121.20 119.15 2c9i s ILE 5 Ca 0.00 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2c9i s ILE 5 Cb 0.00 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2c9i s ILE 5 CO 0.00 -0.08 0.65 -0.54 -1.23 0.00 0.00 174.94 173.74 2c9i s LYS 6 N 1.69 2.85 0.47 2.79 -0.14 -1.26 -4.80 119.74 121.34 2c9i s LYS 6 Ca 0.05 -0.84 0.15 0.00 -1.36 0.00 0.00 55.97 53.97 2c9i s LYS 6 Cb -0.18 -2.62 1.12 0.00 -1.68 0.00 0.00 37.83 34.47 2c9i s LYS 6 CO 0.10 -0.36 2.06 0.93 -0.76 0.00 0.00 175.35 177.31 2c9i h GLU 7 N 0.43 0.24 -4.21 1.68 4.39 -1.98 -3.41 114.58 111.72 2c9i h GLU 7 Ca -0.43 -0.01 -0.37 0.00 0.34 0.00 0.00 59.36 58.88 2c9i h GLU 7 Cb 1.27 -0.05 -0.31 0.00 -0.10 0.00 0.00 28.75 29.56 2c9i h GLU 7 CO 0.52 0.16 -0.76 -0.08 -1.16 0.00 0.00 179.01 177.69 2c9i s THR 8 N -5.25 0.48 0.10 1.13 -1.32 -1.26 -3.94 115.64 105.59 2c9i s THR 8 Ca -0.07 -0.18 0.05 0.00 -1.21 0.00 0.00 61.69 60.28 2c9i s THR 8 Cb 0.18 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.68 2c9i s THR 8 CO 0.72 0.17 -0.12 -0.04 -2.21 0.00 0.00 174.62 173.14 2c9i s MET 9 N 0.36 0.90 0.27 7.08 -1.94 -0.52 -4.99 119.30 120.46 2c9i s MET 9 Ca -0.04 -1.16 0.08 0.00 -1.71 0.00 0.00 55.69 52.85 2c9i s MET 9 Cb -0.08 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 36.04 2c9i s MET 9 CO -0.00 0.12 0.18 1.03 -0.01 0.00 0.00 175.02 176.34 2c9i s ARG 10 N -2.63 2.77 -0.07 2.03 0.52 -0.22 -1.26 118.95 120.07 2c9i s ARG 10 Ca 0.06 -1.18 0.03 0.00 -0.52 0.00 0.00 55.73 54.12 2c9i s ARG 10 Cb -0.04 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.96 2c9i s ARG 10 CO 0.01 0.32 -0.17 0.08 0.02 0.00 0.00 175.30 175.57 2c9i s VAL 11 N -2.21 1.48 -0.20 3.52 1.01 0.71 -0.16 120.40 124.56 2c9i s VAL 11 Ca 0.34 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2c9i s VAL 11 Cb -0.07 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.02 2c9i s VAL 11 CO 0.24 0.43 -0.16 -1.58 0.00 0.00 0.00 175.10 174.04 2c9i s GLN 12 N 0.49 2.88 -0.01 2.72 0.74 -0.55 -1.94 119.66 124.00 2c9i s GLN 12 Ca -0.15 -0.91 0.06 0.00 0.05 0.00 0.00 55.36 54.41 2c9i s GLN 12 Cb -0.16 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 2c9i s GLN 12 CO 0.05 -0.29 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.15 2c9i s LEU 13 N 1.28 2.05 -0.03 3.68 0.20 0.51 -0.29 118.68 126.08 2c9i s LEU 13 Ca 0.02 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 54.51 2c9i s LEU 13 Cb -0.15 -0.96 -0.00 0.00 -0.43 0.00 0.00 46.19 44.65 2c9i s LEU 13 CO -0.10 0.22 -0.14 -0.94 -0.29 0.00 0.00 176.35 175.10 2c9i s SER 14 N -0.54 1.73 -0.03 3.68 1.04 0.02 -0.12 113.70 119.47 2c9i s SER 14 Ca 0.07 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.25 2c9i s SER 14 Cb -0.07 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2c9i s SER 14 CO -0.00 0.12 -0.11 -0.32 0.98 0.00 0.00 173.24 173.91 2c9i s MET 15 N 0.08 1.16 0.07 4.02 0.00 0.87 -0.45 119.30 125.05 2c9i s MET 15 Ca -0.03 -0.36 0.04 0.00 0.00 0.00 0.00 55.69 55.33 2c9i s MET 15 Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 34.83 33.65 2c9i s MET 15 CO 0.01 0.13 -0.11 -1.83 0.00 0.00 0.00 175.02 173.22 2c9i s GLU 16 N 0.21 0.71 0.00 4.11 -1.05 -0.79 -0.22 118.70 121.67 2c9i s GLU 16 Ca -0.04 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 2c9i s GLU 16 Cb -0.10 -0.55 0.00 0.00 -0.44 0.00 0.00 34.13 33.05 2c9i s GLU 16 CO 0.01 0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.74 2c9i n GLY 17 N 1.17 -0.99 3.24 -3.83 0.00 -0.85 -1.55 105.19 102.38 2c9i n GLY 17 Ca -0.21 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.27 -0.06 1.61 1.04 -0.95 -0.94 113.70 110.14 2c9i s SER 18 Ca 0.00 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.82 2c9i s SER 18 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.64 2c9i s SER 18 CO 0.00 -0.30 -0.07 -0.69 0.98 0.00 0.00 173.24 173.16 2c9i s VAL 19 N -0.63 0.77 -1.10 5.02 1.01 -0.79 -0.52 120.40 124.16 2c9i s VAL 19 Ca -0.07 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 2c9i s VAL 19 Cb -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2c9i s VAL 19 CO 0.03 0.28 0.70 0.59 0.00 0.00 0.00 175.10 176.70 2c9i n ASN 20 N 4.06 -4.74 0.00 3.32 5.03 -0.62 -1.62 115.26 120.69 2c9i n ASN 20 Ca -0.23 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.10 2c9i n ASN 20 Cb 0.51 -2.26 0.00 0.00 -1.02 0.00 0.00 39.78 37.01 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 -4.26 0.00 -3.71 3.10 4.02 -1.26 -4.97 117.16 110.08 2c9i n TYR 21 Ca -0.14 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.37 2c9i n TYR 21 Cb 0.59 -0.68 -0.12 0.00 -0.02 0.00 0.00 39.34 39.11 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 -2.54 3.21 0.34 -0.72 2.46 -0.64 -5.09 115.29 112.31 2c9i s HIS 22 Ca 0.00 -1.08 -0.22 0.00 0.47 0.00 0.00 55.06 54.23 2c9i s HIS 22 Cb 0.00 -2.32 -0.10 0.00 -0.13 0.00 0.00 32.58 30.03 2c9i s HIS 22 CO 0.00 -0.63 0.88 0.00 -2.47 0.00 0.00 174.74 172.52 2c9i s ALA 23 N 1.49 3.21 0.14 1.58 0.00 -1.26 -1.88 121.76 125.04 2c9i s ALA 23 Ca 0.01 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 2c9i s ALA 23 Cb -0.18 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2c9i s ALA 23 CO 0.04 0.21 0.52 -0.59 0.00 0.00 0.00 175.76 175.94 2c9i s PHE 24 N -1.80 -0.41 0.01 0.00 -0.12 -0.11 -4.32 117.98 111.22 2c9i s PHE 24 Ca 0.53 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 57.59 2c9i s PHE 24 Cb -0.15 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 2c9i s PHE 24 CO 0.19 -0.79 -0.05 0.15 -0.05 0.00 0.00 175.22 174.67 2c9i s LYS 25 N -3.74 0.41 0.06 1.99 1.02 -0.59 -2.01 119.74 116.87 2c9i s LYS 25 Ca 0.02 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.68 2c9i s LYS 25 Cb 0.00 -0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 36.97 2c9i s LYS 25 CO -0.12 0.07 -0.11 0.00 -0.92 0.00 0.00 175.35 174.27 2c9i s THR 27 N -1.53 1.71 -0.03 0.00 -4.23 -0.63 -0.09 115.64 110.84 2c9i s THR 27 Ca -0.04 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 2c9i s THR 27 Cb -0.09 -1.55 -0.00 0.00 1.34 0.00 0.00 72.50 72.20 2c9i s THR 27 CO 0.01 -0.05 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.09 2c9i s GLY 28 N -1.89 0.66 -0.07 3.99 0.00 0.83 -1.48 107.32 109.36 2c9i s GLY 28 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2c9i s GLY 28 CO 0.04 -0.21 -0.06 0.54 0.00 0.00 0.00 173.10 173.41 2c9i s LYS 29 N 0.09 1.15 0.00 2.90 1.02 -0.57 -0.36 119.74 123.97 2c9i s LYS 29 Ca -0.02 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.80 2c9i s LYS 29 Cb -0.09 -1.19 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 2c9i s LYS 29 CO 0.01 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 2c9i n GLY 30 N 4.47 2.02 3.77 -3.33 0.00 -0.82 -0.47 105.19 110.83 2c9i n GLY 30 Ca -0.17 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.15 1.97 -0.06 1.61 1.03 -0.61 -0.20 118.70 121.29 2c9i s GLU 31 Ca 0.00 -1.29 -0.31 0.00 0.03 0.00 0.00 54.97 53.40 2c9i s GLU 31 Cb 0.00 0.59 0.12 0.00 -0.80 0.00 0.00 34.13 34.03 2c9i s GLU 31 CO 0.00 -0.90 1.36 0.20 -1.33 0.00 0.00 175.26 174.59 2c9i s GLY 32 N -3.03 -0.31 -0.41 -3.83 0.00 -0.39 -0.15 107.32 99.21 2c9i s GLY 32 Ca 0.16 0.45 -0.05 0.00 0.00 0.00 0.00 44.72 45.27 2c9i s GLY 32 CO 0.10 3.62 0.22 0.54 0.00 0.00 0.00 173.10 177.58 2c9i s LYS 33 N -2.07 2.28 0.24 2.90 -0.14 0.05 -1.44 119.74 121.55 2c9i s LYS 33 Ca 0.24 -1.66 -0.05 0.00 -1.36 0.00 0.00 55.97 53.14 2c9i s LYS 33 Cb 0.03 -3.64 0.35 0.00 -1.68 0.00 0.00 37.83 32.88 2c9i s LYS 33 CO -0.04 -1.01 1.84 -1.35 -0.76 0.00 0.00 175.35 174.03 2c9i h PRO 34 N 8.20 0.91 0.00 -1.68 0.11 -1.79 0.74 132.00 138.50 2c9i h PRO 34 Ca -0.18 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 2c9i h PRO 34 Cb 1.06 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2c9i h PRO 34 CO 0.72 0.60 -0.38 1.88 -0.21 0.00 0.00 178.00 180.61 2c9i h TYR 35 N 0.94 0.00 0.00 0.65 -1.99 -1.83 -3.06 116.97 111.68 2c9i h TYR 35 Ca 0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 2c9i h TYR 35 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2c9i h TYR 35 CO -0.04 0.38 -0.67 0.93 -0.00 0.00 0.00 178.16 178.77 2c9i h GLU 36 N 0.00 0.00 0.00 4.88 5.08 -1.77 -3.40 114.58 119.37 2c9i h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2c9i h GLU 36 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2c9i h GLU 36 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 2c9i n GLY 37 N 1.22 0.42 3.46 -3.84 0.00 0.22 -4.52 105.19 102.14 2c9i n GLY 37 Ca 0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2c9i n GLY 37 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c9i s THR 38 N -2.00 2.65 -0.04 2.61 -1.32 -1.02 -0.54 115.64 115.99 2c9i s THR 38 Ca 0.00 -1.63 -0.27 0.00 -1.21 0.00 0.00 61.69 58.58 2c9i s THR 38 Cb 0.00 -2.22 0.06 0.00 -1.51 0.00 0.00 72.50 68.83 2c9i s THR 38 CO 0.00 0.07 0.58 0.00 -2.21 0.00 0.00 174.62 173.06 2c9i s GLN 39 N -2.20 0.97 0.05 7.08 -2.07 -0.48 -0.77 119.66 122.24 2c9i s GLN 39 Ca 0.17 0.13 0.06 0.00 -1.82 0.00 0.00 55.36 53.90 2c9i s GLN 39 Cb -0.10 0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2c9i s GLN 39 CO 0.09 -0.30 -0.16 -1.12 -1.32 0.00 0.00 175.29 172.48 2c9i s SER 40 N -1.26 1.90 -0.06 12.60 0.01 0.79 -1.34 113.70 126.35 2c9i s SER 40 Ca -0.11 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.61 2c9i s SER 40 Cb -0.01 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.14 2c9i s SER 40 CO 0.08 0.04 0.12 -0.22 0.41 0.00 0.00 173.24 173.67 2c9i s LEU 41 N -1.30 0.61 -0.37 2.44 2.96 0.07 -1.58 118.68 121.51 2c9i s LEU 41 Ca 0.03 0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 2c9i s LEU 41 Cb -0.09 0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.82 2c9i s LEU 41 CO 0.02 -0.17 0.39 0.20 -1.32 0.00 0.00 176.35 175.47 2c9i s ASN 42 N 1.42 6.18 -0.17 3.68 0.01 0.38 -1.06 114.94 125.38 2c9i s ASN 42 Ca -0.06 -0.41 -0.06 0.00 -0.71 0.00 0.00 52.86 51.62 2c9i s ASN 42 Cb -0.12 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 2c9i s ASN 42 CO -0.05 -0.43 0.01 -0.63 -1.51 0.00 0.00 177.10 174.49 2c9i s ILE 43 N 2.05 4.32 -0.09 0.60 1.01 0.35 -1.51 121.20 127.93 2c9i s ILE 43 Ca 0.12 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.61 2c9i s ILE 43 Cb -0.17 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.37 2c9i s ILE 43 CO 0.12 0.48 -0.23 0.28 0.00 0.00 0.00 174.94 175.59 2c9i s THR 44 N 0.39 2.17 -0.54 2.92 -1.32 -0.55 -0.83 115.64 117.86 2c9i s THR 44 Ca -0.01 -0.99 -0.26 0.00 -1.21 0.00 0.00 61.69 59.22 2c9i s THR 44 Cb -0.13 -1.82 0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2c9i s THR 44 CO 0.02 0.56 1.02 -0.63 -2.21 0.00 0.00 174.62 173.38 2c9i s ILE 45 N 0.20 4.28 0.00 5.08 1.01 0.90 -1.60 121.20 131.07 2c9i s ILE 45 Ca -0.14 0.58 0.07 0.00 0.00 0.00 0.00 60.65 61.16 2c9i s ILE 45 Cb -0.17 -4.58 -0.24 0.00 0.01 0.00 0.00 42.46 37.48 2c9i s ILE 45 CO 0.07 -1.14 0.84 0.71 0.00 0.00 0.00 174.94 175.43 2c9i h THR 46 N 6.08 1.12 -3.94 2.92 1.35 -1.43 -3.47 112.91 115.54 2c9i h THR 46 Ca -0.25 -2.89 -0.27 0.00 -0.55 0.00 0.00 66.41 62.45 2c9i h THR 46 Cb 1.07 2.60 -0.23 0.00 -1.73 0.00 0.00 68.15 69.86 2c9i h THR 46 CO 1.11 0.70 -0.73 -1.61 -0.25 0.00 0.00 175.52 174.74 2c9i s GLU 47 N -2.63 0.44 0.00 4.72 2.02 -0.89 -4.88 118.70 117.48 2c9i s GLU 47 Ca -0.05 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2c9i s GLU 47 Cb 0.08 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.06 2c9i s GLU 47 CO 0.83 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.57 2c9i n GLY 48 N 1.94 1.34 7.00 -1.39 0.00 -1.26 -1.55 105.19 111.28 2c9i n GLY 48 Ca -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.58 0.97 3.73 -0.02 0.00 -1.26 -4.14 105.19 102.88 2c9i n GLY 49 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 4.49 0.21 1.61 0.04 -1.26 -4.93 135.00 135.15 2c9i s PRO 50 Ca 0.00 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 2c9i s PRO 50 Cb 0.00 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 2c9i s PRO 50 CO 0.00 -0.12 1.51 -0.51 0.04 0.00 0.00 177.00 177.92 2c9i s LEU 51 N 0.21 4.37 0.00 -3.56 1.02 -1.26 -4.90 118.68 114.56 2c9i s LEU 51 Ca 0.54 2.66 0.31 0.00 0.02 0.00 0.00 54.13 57.66 2c9i s LEU 51 Cb -0.31 -3.61 1.66 0.00 0.02 0.00 0.00 46.19 43.95 2c9i s LEU 51 CO 0.34 -0.78 2.11 -0.81 0.02 0.00 0.00 176.35 177.23 2c9i n PRO 52 N 3.15 0.64 -4.52 1.29 -0.04 -1.26 -4.82 135.00 129.44 2c9i n PRO 52 Ca 0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 2c9i n PRO 52 Cb 0.39 -1.50 -0.10 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 -2.35 2.34 0.14 0.54 -0.12 -1.26 -4.65 117.98 112.63 2c9i s PHE 53 Ca 0.36 -0.48 -0.31 0.00 -0.05 0.00 0.00 56.93 56.45 2c9i s PHE 53 Cb 0.21 -1.28 -0.10 0.00 -0.63 0.00 0.00 43.02 41.22 2c9i s PHE 53 CO 0.42 0.59 1.74 0.00 -0.05 0.00 0.00 175.22 177.92 2c9i s ALA 54 N -2.62 3.80 0.52 1.99 0.00 0.59 -4.89 121.76 121.16 2c9i s ALA 54 Ca 0.32 1.44 0.18 0.00 0.00 0.00 0.00 51.96 53.90 2c9i s ALA 54 Cb 0.01 -3.72 1.32 0.00 0.00 0.00 0.00 23.12 20.73 2c9i s ALA 54 CO 0.16 -1.07 2.15 0.35 0.00 0.00 0.00 175.76 177.35 2c9i h PHE 55 N 7.85 0.00 -0.99 0.00 3.04 -1.93 -3.02 116.94 121.88 2c9i h PHE 55 Ca -0.44 0.00 0.27 0.00 3.98 0.00 0.00 57.97 61.78 2c9i h PHE 55 Cb 1.21 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.66 2c9i h PHE 55 CO 0.73 0.02 0.69 -0.44 -2.02 0.00 0.00 178.31 177.29 2c9i h ASP 56 N 0.00 0.16 0.50 0.41 3.32 -1.96 -0.76 116.42 118.09 2c9i h ASP 56 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2c9i h ASP 56 Cb 0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2c9i h ASP 56 CO 0.00 0.05 0.00 2.30 -1.72 0.00 0.00 179.24 179.87 2c9i n ILE 57 N -4.36 0.67 0.42 0.35 -5.35 -1.14 -2.42 119.36 107.52 2c9i n ILE 57 Ca 0.22 0.17 0.10 0.00 -0.27 0.00 0.00 62.75 62.96 2c9i n ILE 57 Cb 0.97 -0.87 -0.14 0.00 -1.74 0.00 0.00 39.64 37.86 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 -1.42 0.42 -0.29 7.28 4.77 -0.29 -4.68 117.00 122.79 2c9i n LEU 58 Ca 0.06 -0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 55.77 2c9i n LEU 58 Cb 0.18 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2c9i n LEU 58 CO 0.15 0.11 1.20 0.28 -1.33 0.00 0.00 177.39 177.80 2c9i h SER 59 N 0.00 0.89 -0.37 -1.43 0.02 -1.52 -1.61 113.55 109.53 2c9i h SER 59 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2c9i h SER 59 Cb 0.71 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2c9i h SER 59 CO 0.00 0.63 0.20 0.45 -1.14 0.00 0.00 176.83 176.97 2c9i h HIS 60 N 1.05 0.54 -0.02 3.45 3.86 -1.83 -2.53 115.15 119.66 2c9i h HIS 60 Ca 0.30 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.36 2c9i h HIS 60 Cb -0.09 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2c9i h HIS 60 CO -0.02 0.40 -0.63 0.00 0.86 0.00 0.00 177.93 178.54 2c9i h ALA 61 N 1.67 0.92 0.00 2.45 0.00 -1.61 -3.45 119.26 119.24 2c9i h ALA 61 Ca 0.14 -0.57 -0.47 0.00 0.00 0.00 0.00 54.91 54.01 2c9i h ALA 61 Cb 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.77 2c9i h ALA 61 CO -0.02 0.77 2.77 1.19 0.00 0.00 0.00 179.25 183.97 2c9i n PHE 62 N -3.81 1.68 0.00 0.00 3.72 -0.96 -4.99 117.46 113.10 2c9i n PHE 62 Ca -0.01 -2.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.24 2c9i n PHE 62 Cb 0.63 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.33 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 4.41 0.00 1.40 4.37 5.41 -1.26 -5.12 119.36 128.57 2c9i n ILE 66 Ca 0.50 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.34 2c9i n ILE 66 Cb 0.19 0.00 0.48 0.00 -0.71 0.00 0.00 39.64 39.61 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 0.70 0.00 0.38 4.76 -1.26 -2.46 118.16 120.28 2c9i n LYS 67 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 2c9i n LYS 67 Cb 0.00 -1.36 0.39 0.00 -1.84 0.00 0.00 35.03 32.22 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 1.13 -1.65 -0.18 2.07 -1.96 -3.28 116.25 112.39 2c9i h VAL 68 Ca 0.00 -0.35 -0.74 0.00 0.82 0.00 0.00 66.70 66.43 2c9i h VAL 68 Cb 0.00 0.62 -0.15 0.00 -1.52 0.00 0.00 31.29 30.23 2c9i h VAL 68 CO 0.00 0.15 1.78 0.49 0.02 0.00 0.00 177.57 180.00 2c9i n PHE 69 N -4.42 4.03 -3.77 1.57 3.01 -1.03 -4.68 117.46 112.17 2c9i n PHE 69 Ca 0.03 -3.07 -0.13 0.00 1.01 0.00 0.00 57.45 55.29 2c9i n PHE 69 Cb 0.11 -2.13 -0.14 0.00 -0.01 0.00 0.00 39.48 37.31 2c9i n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c9i s ALA 70 N 1.30 -0.27 -0.46 4.37 0.00 -1.16 -4.37 121.76 121.17 2c9i s ALA 70 Ca 0.42 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 2c9i s ALA 70 Cb 0.04 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2c9i s ALA 70 CO 0.00 -0.13 1.18 0.21 0.00 0.00 0.00 175.76 177.03 2c9i s LYS 71 N 0.85 3.72 -0.10 0.00 2.20 -0.66 -4.53 119.74 121.23 2c9i s LYS 71 Ca -0.07 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 56.20 2c9i s LYS 71 Cb -0.09 -3.92 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2c9i s LYS 71 CO -0.04 -1.39 -0.03 0.71 -0.36 0.00 0.00 175.35 174.24 2c9i s TYR 72 N 4.58 3.04 0.62 4.03 1.51 -1.26 -0.60 117.35 129.27 2c9i s TYR 72 Ca 0.50 0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.45 2c9i s TYR 72 Cb -0.09 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 2c9i s TYR 72 CO 0.31 0.30 1.04 -1.25 -1.11 0.00 0.00 175.55 174.84 2c9i s PRO 73 N -0.57 3.37 0.36 -1.71 0.04 -1.26 -4.97 135.00 130.26 2c9i s PRO 73 Ca 0.09 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.20 2c9i s PRO 73 Cb -0.12 -2.05 0.81 0.00 0.04 0.00 0.00 34.50 33.19 2c9i s PRO 73 CO 0.02 -0.75 1.88 -0.22 0.04 0.00 0.00 177.00 177.96 2c9i h LYS 74 N 0.00 0.67 0.00 4.56 3.11 -1.99 -2.80 116.57 120.12 2c9i h LYS 74 Ca -0.45 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.34 2c9i h LYS 74 Cb 1.20 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2c9i h LYS 74 CO 0.59 0.45 -0.05 0.93 -2.81 0.00 0.00 179.45 178.56 2c9i h GLU 75 N 0.69 0.00 -5.04 1.90 3.07 -2.03 -3.42 114.58 109.75 2c9i h GLU 75 Ca 0.44 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.64 2c9i h GLU 75 Cb 0.68 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.34 2c9i h GLU 75 CO -0.19 0.05 -0.70 0.42 -1.40 0.00 0.00 179.01 177.19 2c9i s ILE 76 N -3.58 3.62 0.27 3.13 1.01 -1.06 -5.04 121.20 119.56 2c9i s ILE 76 Ca 0.02 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 59.95 2c9i s ILE 76 Cb 0.08 -2.65 -0.12 0.00 0.01 0.00 0.00 42.46 39.78 2c9i s ILE 76 CO 0.59 0.42 1.50 -2.65 0.00 0.00 0.00 174.94 174.80 2c9i n PRO 77 N 4.59 2.39 -3.18 2.79 -0.02 -1.26 -4.65 135.00 135.66 2c9i n PRO 77 Ca -0.18 0.85 -0.45 0.00 -2.02 0.00 0.00 63.50 61.70 2c9i n PRO 77 Cb 0.51 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.39 6.41 0.24 2.55 3.68 -1.26 -4.53 116.67 124.16 2c9i s ASP 78 Ca 0.66 -1.95 -0.05 0.00 2.13 0.00 0.00 52.55 53.34 2c9i s ASP 78 Cb -0.57 -2.27 0.36 0.00 -1.45 0.00 0.00 42.92 38.99 2c9i s ASP 78 CO 0.49 -0.91 1.83 0.15 0.13 0.00 0.00 175.17 176.87 2c9i h PHE 79 N 8.68 0.93 -0.13 -5.34 3.04 -1.92 -1.91 116.94 120.29 2c9i h PHE 79 Ca -0.12 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.66 2c9i h PHE 79 Cb 1.07 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 39.29 2c9i h PHE 79 CO 0.92 0.43 -0.71 0.74 -2.02 0.00 0.00 178.31 177.67 2c9i h PHE 80 N 0.89 0.97 -0.06 0.41 -1.00 -1.91 -0.85 116.94 115.39 2c9i h PHE 80 Ca 0.39 -0.43 -0.16 0.00 2.81 0.00 0.00 57.97 60.57 2c9i h PHE 80 Cb 0.26 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 2c9i h PHE 80 CO -0.04 1.25 -0.67 0.87 -1.61 0.00 0.00 178.31 178.11 2c9i h LYS 81 N 0.41 0.25 -0.71 1.51 1.57 -1.87 -2.19 116.57 115.55 2c9i h LYS 81 Ca -0.05 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 2c9i h LYS 81 Cb 1.35 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2c9i h LYS 81 CO 0.15 0.83 0.20 1.96 -0.57 0.00 0.00 179.45 182.02 2c9i h GLN 82 N 0.18 1.12 0.00 3.15 4.20 -1.28 -3.27 115.11 119.20 2c9i h GLN 82 Ca -0.02 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2c9i h GLN 82 Cb 1.21 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2c9i h GLN 82 CO 0.10 0.97 -0.50 0.77 -0.67 0.00 0.00 178.83 179.50 2c9i h SER 83 N 1.05 0.00 0.15 1.46 0.02 -1.07 -3.40 113.55 111.77 2c9i h SER 83 Ca 0.23 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2c9i h SER 83 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2c9i h SER 83 CO -0.00 0.05 -0.24 0.25 -1.14 0.00 0.00 176.83 175.74 2c9i h LEU 84 N 0.00 -0.68 -1.04 5.07 6.46 -1.44 0.31 115.31 123.99 2c9i h LEU 84 Ca 0.00 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 2c9i h LEU 84 Cb 0.85 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 2c9i h LEU 84 CO 0.00 -0.34 0.64 -0.65 -0.62 0.00 0.00 178.44 177.47 2c9i h PRO 85 N -0.47 1.16 0.00 5.25 0.11 -1.79 -1.61 132.00 134.65 2c9i h PRO 85 Ca 0.02 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2c9i h PRO 85 Cb 0.47 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2c9i h PRO 85 CO -0.11 0.77 -0.35 0.78 -0.21 0.00 0.00 178.00 178.88 2c9i h GLY 86 N 1.20 0.00 0.00 -0.55 0.00 -1.80 -3.43 103.07 98.49 2c9i h GLY 86 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2c9i h GLY 86 CO -0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.01 2c9i n GLY 87 N 1.16 1.98 3.31 4.60 0.00 0.11 -4.63 105.19 111.72 2c9i n GLY 87 Ca 0.02 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.88 0.25 0.11 1.61 -0.12 -0.67 -1.32 117.98 115.96 2c9i s PHE 88 Ca 0.00 -0.62 0.05 0.00 -0.05 0.00 0.00 56.93 56.31 2c9i s PHE 88 Cb 0.00 -0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2c9i s PHE 88 CO 0.00 -0.68 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.23 2c9i s SER 89 N -2.92 1.88 0.04 1.98 0.01 0.39 -0.46 113.70 114.62 2c9i s SER 89 Ca 0.12 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.61 2c9i s SER 89 Cb 0.03 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2c9i s SER 89 CO -0.04 -0.16 -0.08 -1.66 0.41 0.00 0.00 173.24 171.71 2c9i s TRP 90 N -2.10 0.67 0.02 2.43 1.48 -0.65 -1.28 118.94 119.50 2c9i s TRP 90 Ca 0.07 -0.47 0.03 0.00 -1.06 0.00 0.00 56.10 54.67 2c9i s TRP 90 Cb -0.05 -0.40 -0.01 0.00 -1.16 0.00 0.00 33.47 31.84 2c9i s TRP 90 CO 0.02 -0.08 -0.08 -1.21 -4.06 0.00 0.00 176.95 171.55 2c9i s GLU 91 N -1.47 0.58 0.00 3.25 2.02 -0.68 -0.37 118.70 122.03 2c9i s GLU 91 Ca -0.09 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2c9i s GLU 91 Cb -0.09 -0.49 -0.01 0.00 0.10 0.00 0.00 34.13 33.64 2c9i s GLU 91 CO 0.00 0.12 0.04 0.50 0.02 0.00 0.00 175.26 175.95 2c9i s ARG 92 N -0.85 0.27 -0.15 1.61 3.52 0.10 -0.47 118.95 122.98 2c9i s ARG 92 Ca -0.02 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.28 2c9i s ARG 92 Cb -0.06 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.45 2c9i s ARG 92 CO 0.00 -0.05 -0.19 0.08 -0.81 0.00 0.00 175.30 174.33 2c9i s VAL 93 N -0.91 1.91 -0.24 7.11 1.01 -0.78 -1.08 120.40 127.40 2c9i s VAL 93 Ca -0.10 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2c9i s VAL 93 Cb -0.06 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2c9i s VAL 93 CO 0.00 0.52 0.02 -0.44 0.00 0.00 0.00 175.10 175.19 2c9i s SER 94 N 1.04 4.72 -0.30 3.32 0.01 0.29 -1.86 113.70 120.91 2c9i s SER 94 Ca -0.03 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 2c9i s SER 94 Cb -0.14 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.30 2c9i s SER 94 CO -0.06 -0.06 0.03 -0.89 0.41 0.00 0.00 173.24 172.67 2c9i s THR 95 N 1.52 3.36 0.31 1.44 2.01 0.17 -0.46 115.64 123.98 2c9i s THR 95 Ca 0.05 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 2c9i s THR 95 Cb -0.15 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 2c9i s THR 95 CO -0.00 -0.04 0.81 -0.31 -0.69 0.00 0.00 174.62 174.39 2c9i s TYR 96 N 1.35 3.52 0.54 4.92 2.02 0.80 -0.82 117.35 129.68 2c9i s TYR 96 Ca -0.02 1.46 0.34 0.00 -0.37 0.00 0.00 57.07 58.49 2c9i s TYR 96 Cb -0.19 -2.70 1.90 0.00 -0.40 0.00 0.00 41.96 40.58 2c9i s TYR 96 CO 0.00 0.17 2.23 1.05 -1.57 0.00 0.00 175.55 177.43 2c9i h GLU 97 N 2.79 0.00 -0.74 -0.62 4.11 -1.63 -2.39 114.58 116.10 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 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2c9i h GLU 97 CO 0.64 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.35 2c9i n ASP 98 N -3.50 4.12 0.00 3.06 3.85 -1.26 -4.96 116.55 117.86 2c9i n ASP 98 Ca -0.02 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 2c9i n ASP 98 Cb 0.13 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.39 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 1.62 1.56 3.76 6.12 0.00 -0.90 -4.51 105.19 112.83 2c9i n GLY 99 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.61 2.86 -0.13 -0.02 0.00 -1.19 -4.55 107.32 102.68 2c9i s GLY 100 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 44.72 45.89 2c9i s GLY 100 CO 0.00 1.90 -0.05 0.14 0.00 0.00 0.00 173.10 175.09 2c9i s VAL 101 N -0.83 0.94 -0.31 1.40 1.01 -0.74 -0.14 120.40 121.73 2c9i s VAL 101 Ca 0.50 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2c9i s VAL 101 Cb -0.38 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2c9i s VAL 101 CO 0.48 0.26 0.08 -0.22 0.00 0.00 0.00 175.10 175.69 2c9i s LEU 102 N 1.73 4.00 -0.06 3.92 1.98 0.39 -1.92 118.68 128.73 2c9i s LEU 102 Ca 0.03 -0.89 -0.07 0.00 -2.89 0.00 0.00 54.13 50.31 2c9i s LEU 102 Cb -0.13 -1.86 -0.04 0.00 0.66 0.00 0.00 46.19 44.81 2c9i s LEU 102 CO -0.08 -0.24 0.22 -0.44 -1.89 0.00 0.00 176.35 173.92 2c9i s SER 103 N 1.45 6.47 -0.04 3.68 0.01 -0.03 -0.55 113.70 124.70 2c9i s SER 103 Ca 0.01 0.55 -0.10 0.00 1.31 0.00 0.00 55.95 57.72 2c9i s SER 103 Cb -0.18 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 63.97 2c9i s SER 103 CO 0.02 0.34 0.22 0.00 0.41 0.00 0.00 173.24 174.23 2c9i s ALA 104 N -1.15 -0.55 0.03 1.44 0.00 -0.24 -0.17 121.76 121.12 2c9i s ALA 104 Ca 0.21 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.50 2c9i s ALA 104 Cb -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2c9i s ALA 104 CO 0.10 -0.19 -0.10 -0.08 0.00 0.00 0.00 175.76 175.49 2c9i s THR 105 N -0.80 0.78 -0.05 0.00 -1.32 -0.12 -0.73 115.64 113.41 2c9i s THR 105 Ca -0.09 -0.90 -0.11 0.00 -1.21 0.00 0.00 61.69 59.38 2c9i s THR 105 Cb -0.05 -0.75 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 2c9i s THR 105 CO 0.02 -0.12 0.26 -1.58 -2.21 0.00 0.00 174.62 170.99 2c9i s GLN 106 N -1.14 0.48 -0.10 7.08 -0.44 0.50 -0.48 119.66 125.56 2c9i s GLN 106 Ca -0.03 0.02 0.04 0.00 -2.50 0.00 0.00 55.36 52.89 2c9i s GLN 106 Cb -0.08 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.51 2c9i s GLN 106 CO 0.01 -0.11 -0.22 -2.00 0.50 0.00 0.00 175.29 173.47 2c9i s GLU 107 N -0.70 2.86 -0.10 1.67 2.12 -0.49 -1.64 118.70 122.42 2c9i s GLU 107 Ca -0.08 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.47 2c9i s GLU 107 Cb -0.04 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2c9i s GLU 107 CO 0.02 0.16 -0.23 0.99 -0.54 0.00 0.00 175.26 175.66 2c9i s THR 108 N 0.39 1.98 0.21 -1.70 2.01 0.40 -1.70 115.64 117.23 2c9i s THR 108 Ca -0.18 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.84 2c9i s THR 108 Cb -0.18 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2c9i s THR 108 CO 0.08 0.54 0.13 -0.94 -0.69 0.00 0.00 174.62 173.75 2c9i s SER 109 N 0.44 0.33 -0.07 3.53 1.04 -0.83 -1.68 113.70 116.47 2c9i s SER 109 Ca -0.17 -1.41 0.02 0.00 0.48 0.00 0.00 55.95 54.87 2c9i s SER 109 Cb -0.17 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2c9i s SER 109 CO 0.07 -0.84 -0.10 -0.22 0.98 0.00 0.00 173.24 173.13 2c9i s LEU 110 N -3.19 1.54 -0.16 2.42 2.96 -1.26 -1.24 118.68 119.75 2c9i s LEU 110 Ca 0.39 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2c9i s LEU 110 Cb 0.07 -0.76 0.05 0.00 0.50 0.00 0.00 46.19 46.05 2c9i s LEU 110 CO 0.13 0.00 0.01 -1.10 -1.32 0.00 0.00 176.35 174.07 2c9i s GLN 111 N 0.82 0.83 7.97 1.98 -0.21 -0.85 -5.00 119.66 125.21 2c9i s GLN 111 Ca -0.12 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 54.91 2c9i s GLN 111 Cb -0.15 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2c9i s GLN 111 CO 0.02 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.07 2c9i n GLY 112 N 5.02 3.83 1.12 3.09 0.00 -1.26 -1.35 105.19 115.64 2c9i n GLY 112 Ca -0.09 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 8.82 3.69 -4.41 1.61 5.75 -1.26 -4.93 116.55 125.82 2c9i n ASP 113 Ca 0.00 -2.08 -0.42 0.00 -0.01 0.00 0.00 54.79 52.29 2c9i n ASP 113 Cb 0.00 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.57 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 1.60 4.45 -0.16 0.00 1.01 0.78 -2.00 121.20 126.88 2c9i s ILE 115 Ca 0.03 1.16 -0.06 0.00 0.00 0.00 0.00 60.65 61.78 2c9i s ILE 115 Cb -0.19 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2c9i s ILE 115 CO 0.08 -0.73 0.04 0.27 0.00 0.00 0.00 174.94 174.60 2c9i s ILE 116 N 3.83 4.58 -0.09 2.92 -5.25 -0.37 -1.47 121.20 125.34 2c9i s ILE 116 Ca 0.41 -0.11 0.03 0.00 -0.99 0.00 0.00 60.65 59.99 2c9i s ILE 116 Cb -0.10 -3.04 0.01 0.00 2.95 0.00 0.00 42.46 42.28 2c9i s ILE 116 CO 0.24 0.49 -0.18 0.00 -1.79 0.00 0.00 174.94 173.70 2c9i s LYS 118 N 0.64 2.59 -0.07 0.00 3.01 -0.69 -0.80 119.74 124.42 2c9i s LYS 118 Ca -0.14 -1.13 0.01 0.00 -1.01 0.00 0.00 55.97 53.70 2c9i s LYS 118 Cb -0.16 -2.98 -0.03 0.00 -1.01 0.00 0.00 37.83 33.65 2c9i s LYS 118 CO 0.04 -0.48 -0.07 0.08 0.51 0.00 0.00 175.35 175.42 2c9i s VAL 119 N 1.25 3.68 -0.05 3.17 1.01 0.40 -1.40 120.40 128.47 2c9i s VAL 119 Ca -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2c9i s VAL 119 Cb -0.18 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 2c9i s VAL 119 CO -0.04 0.59 -0.18 -0.75 0.00 0.00 0.00 175.10 174.71 2c9i s LYS 120 N -0.74 1.94 -0.01 2.72 2.36 0.36 -1.89 119.74 124.49 2c9i s LYS 120 Ca 0.11 -0.66 0.05 0.00 -2.55 0.00 0.00 55.97 52.93 2c9i s LYS 120 Cb -0.11 -1.66 -0.01 0.00 -1.05 0.00 0.00 37.83 34.99 2c9i s LYS 120 CO 0.02 0.26 -0.16 0.08 1.55 0.00 0.00 175.35 177.09 2c9i s VAL 121 N 0.03 1.28 -0.20 4.02 1.01 -0.59 -0.94 120.40 125.01 2c9i s VAL 121 Ca -0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2c9i s VAL 121 Cb -0.12 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.27 2c9i s VAL 121 CO 0.03 0.32 0.16 -0.22 0.00 0.00 0.00 175.10 175.39 2c9i s LEU 122 N -0.48 0.14 -0.08 3.92 0.20 0.76 -2.23 118.68 120.91 2c9i s LEU 122 Ca 0.06 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.38 2c9i s LEU 122 Cb -0.06 0.06 -0.02 0.00 -0.43 0.00 0.00 46.19 45.73 2c9i s LEU 122 CO -0.00 -0.35 -0.13 -0.83 -0.29 0.00 0.00 176.35 174.74 2c9i s GLY 123 N 2.23 1.55 0.19 7.98 0.00 0.33 -0.85 107.32 118.74 2c9i s GLY 123 Ca 0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 2c9i s GLY 123 CO -0.14 -0.52 0.14 -0.51 0.00 0.00 0.00 173.10 172.06 2c9i s THR 124 N -0.30 0.02 -1.64 0.90 -4.23 -0.81 -1.59 115.64 108.01 2c9i s THR 124 Ca 0.02 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2c9i s THR 124 Cb -0.13 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2c9i s THR 124 CO 0.03 -0.11 0.00 0.59 -0.54 0.00 0.00 174.62 174.59 2c9i n ASN 125 N -0.24 -5.15 -4.70 3.99 4.13 -1.26 -1.79 115.26 110.24 2c9i n ASN 125 Ca -0.00 0.38 -0.42 0.00 1.68 0.00 0.00 54.58 56.22 2c9i n ASN 125 Cb 0.65 -4.01 -0.03 0.00 -1.54 0.00 0.00 39.78 34.85 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 -2.47 3.17 0.14 3.10 0.40 -1.26 -3.17 117.98 117.87 2c9i s PHE 126 Ca 0.00 1.08 -0.33 0.00 -0.60 0.00 0.00 56.93 57.08 2c9i s PHE 126 Cb 0.00 -3.53 -0.13 0.00 0.51 0.00 0.00 43.02 39.87 2c9i s PHE 126 CO 0.00 -1.81 1.70 -0.35 0.70 0.00 0.00 175.22 175.47 2c9i n PRO 127 N 4.70 2.44 -0.17 0.24 -0.04 -1.26 -4.88 135.00 136.03 2c9i n PRO 127 Ca 0.11 0.88 0.09 0.00 -0.04 0.00 0.00 63.50 64.55 2c9i n PRO 127 Cb 0.45 -2.71 0.40 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 7.07 1.83 -0.49 0.55 0.00 -1.98 -0.45 119.26 125.78 2c9i h ALA 128 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2c9i h ALA 128 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2c9i h ALA 128 CO 0.92 0.03 0.00 0.09 0.00 0.00 0.00 179.25 180.29 2c9i n ASN 129 N -4.49 3.28 -4.83 0.00 5.03 -1.26 -4.48 115.26 108.51 2c9i n ASN 129 Ca 0.12 -1.97 -0.31 0.00 0.87 0.00 0.00 54.58 53.29 2c9i n ASN 129 Cb 0.32 -0.32 0.04 0.00 -1.02 0.00 0.00 39.78 38.80 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 -1.27 1.68 0.57 7.41 0.00 -0.18 -4.83 107.32 110.70 2c9i s GLY 130 Ca 0.40 0.04 0.26 0.00 0.00 0.00 0.00 44.72 45.43 2c9i s GLY 130 CO 0.30 0.34 2.17 -0.56 0.00 0.00 0.00 173.10 175.36 2c9i h PRO 131 N -0.57 0.00 0.09 2.90 0.13 -1.92 -0.58 132.00 132.05 2c9i h PRO 131 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2c9i h PRO 131 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2c9i h PRO 131 CO 0.58 0.00 -0.04 0.28 -0.23 0.00 0.00 178.00 178.59 2c9i h VAL 132 N 0.00 1.14 0.00 1.56 2.07 -1.92 0.15 116.25 119.26 2c9i h VAL 132 Ca 0.04 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2c9i h VAL 132 Cb 0.20 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2c9i h VAL 132 CO -0.00 0.24 -0.18 0.24 0.02 0.00 0.00 177.57 177.89 2c9i h MET 133 N -0.61 0.00 -0.01 1.57 2.86 -1.67 0.18 114.93 117.24 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 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2c9i h MET 133 CO 0.02 0.18 -0.18 1.04 1.06 0.00 0.00 176.91 179.03 2c9i n GLN 134 N -3.25 1.09 -3.61 1.72 1.13 -0.26 -4.60 117.38 109.59 2c9i n GLN 134 Ca 0.01 -0.64 -0.20 0.00 -1.94 0.00 0.00 57.00 54.23 2c9i n GLN 134 Cb 0.47 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.40 -5.40 -1.97 -1.09 5.02 -0.76 -4.94 118.16 108.62 2c9i n LYS 135 Ca 0.14 0.70 -0.26 0.00 -2.02 0.00 0.00 58.31 56.87 2c9i n LYS 135 Cb 0.35 -5.40 0.03 0.00 -0.02 0.00 0.00 35.03 29.99 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 -4.21 3.49 -4.25 1.97 5.02 0.45 -4.97 118.16 115.65 2c9i n LYS 136 Ca -0.29 -4.09 -0.27 0.00 -2.02 0.00 0.00 58.31 51.64 2c9i n LYS 136 Cb 0.67 -2.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 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 -4.70 3.42 -0.23 -0.18 -4.23 -1.26 -1.05 115.64 107.41 2c9i s THR 137 Ca 0.52 -1.55 0.15 0.00 -1.18 0.00 0.00 61.69 59.64 2c9i s THR 137 Cb 0.42 -2.71 0.47 0.00 1.34 0.00 0.00 72.50 72.02 2c9i s THR 137 CO 0.01 -0.11 1.16 0.00 -0.54 0.00 0.00 174.62 175.15 2c9i n GLY 139 N -0.58 -0.73 3.84 0.00 0.00 -1.26 -4.73 105.19 101.74 2c9i n GLY 139 Ca 0.23 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.59 3.50 0.74 1.61 0.52 -1.26 -1.04 118.94 120.42 2c9i s TRP 140 Ca 0.00 1.17 -0.11 0.00 0.02 0.00 0.00 56.10 57.18 2c9i s TRP 140 Cb 0.00 -2.48 0.03 0.00 -1.15 0.00 0.00 33.47 29.88 2c9i s TRP 140 CO 0.00 0.25 1.08 -1.21 0.02 0.00 0.00 176.95 177.09 2c9i s GLU 141 N -2.49 2.56 0.78 4.98 0.41 -0.23 -4.84 118.70 119.87 2c9i s GLU 141 Ca 0.47 1.09 -0.13 0.00 -0.41 0.00 0.00 54.97 55.99 2c9i s GLU 141 Cb -0.13 -1.94 0.07 0.00 -1.78 0.00 0.00 34.13 30.35 2c9i s GLU 141 CO 0.19 -1.40 1.16 -1.25 -0.49 0.00 0.00 175.26 173.47 2c9i s PRO 142 N -4.93 1.94 0.27 0.39 0.04 -1.26 -4.73 135.00 126.71 2c9i s PRO 142 Ca 0.60 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2c9i s PRO 142 Cb -0.16 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2c9i s PRO 142 CO 0.55 -1.95 0.27 -1.54 0.04 0.00 0.00 177.00 174.37 2c9i s SER 143 N -2.48 0.73 -0.06 6.66 1.04 -0.74 -4.83 113.70 114.02 2c9i s SER 143 Ca 0.69 -1.47 0.01 0.00 0.48 0.00 0.00 55.95 55.66 2c9i s SER 143 Cb -0.24 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.40 2c9i s SER 143 CO 0.50 -1.02 -0.07 0.28 0.98 0.00 0.00 173.24 173.91 2c9i s THR 144 N -3.74 0.78 -0.06 2.02 -1.32 -1.26 -0.85 115.64 111.21 2c9i s THR 144 Ca 0.36 -0.23 -0.00 0.00 -1.21 0.00 0.00 61.69 60.61 2c9i s THR 144 Cb 0.04 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 2c9i s THR 144 CO 0.18 0.29 -0.02 -0.70 -2.21 0.00 0.00 174.62 172.16 2c9i s GLU 145 N 1.06 2.86 -0.23 7.08 2.12 0.13 -4.64 118.70 127.07 2c9i s GLU 145 Ca -0.08 -0.50 -0.16 0.00 0.36 0.00 0.00 54.97 54.59 2c9i s GLU 145 Cb -0.14 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 2c9i s GLU 145 CO -0.01 0.67 0.41 0.99 -0.54 0.00 0.00 175.26 176.79 2c9i s THR 146 N -0.91 5.17 -0.32 -1.70 2.01 -0.29 -0.43 115.64 119.17 2c9i s THR 146 Ca 0.14 0.69 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 2c9i s THR 146 Cb -0.11 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2c9i s THR 146 CO 0.04 0.19 0.31 -0.69 -0.69 0.00 0.00 174.62 173.78 2c9i s VAL 147 N 1.75 5.22 -0.16 3.82 1.01 0.87 -1.95 120.40 130.95 2c9i s VAL 147 Ca 0.18 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2c9i s VAL 147 Cb -0.15 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2c9i s VAL 147 CO 0.09 0.02 -0.21 -0.63 0.00 0.00 0.00 175.10 174.37 2c9i s ILE 148 N 1.92 2.05 0.08 2.22 1.01 -0.68 -2.13 121.20 125.67 2c9i s ILE 148 Ca 0.10 -0.96 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 2c9i s ILE 148 Cb -0.16 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2c9i s ILE 148 CO 0.11 0.54 1.43 -2.16 0.00 0.00 0.00 174.94 174.86 2c9i s PRO 149 N 1.01 4.29 -0.15 2.79 0.04 -1.26 -0.32 135.00 141.40 2c9i s PRO 149 Ca -0.02 2.08 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2c9i s PRO 149 Cb -0.14 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 31.08 2c9i s PRO 149 CO -0.06 -0.52 0.34 0.50 0.04 0.00 0.00 177.00 177.30 2c9i s ARG 150 N 1.64 0.29 -1.44 4.56 3.52 -0.47 -4.87 118.95 122.18 2c9i s ARG 150 Ca 0.66 0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 56.95 2c9i s ARG 150 Cb -0.36 -0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.05 2c9i s ARG 150 CO 0.29 -0.19 0.58 -0.25 -0.81 0.00 0.00 175.30 174.92 2c9i n ASP 151 N 4.58 -1.36 0.00 -2.12 8.00 -1.26 -0.38 116.55 124.01 2c9i n ASP 151 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2c9i n ASP 151 Cb 0.53 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 2c9i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c9i n GLY 152 N -1.80 1.81 0.00 0.44 0.00 -1.26 -4.93 105.19 99.45 2c9i n GLY 152 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 5.43 3.18 -0.02 0.00 0.49 -4.78 105.19 107.50 2c9i n GLY 153 Ca 0.00 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 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 2.25 -0.18 0.99 1.43 -1.03 -1.36 118.68 120.77 2c9i s LEU 154 Ca 0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2c9i s LEU 154 Cb 0.00 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.64 2c9i s LEU 154 CO 0.00 -0.02 -0.13 -0.22 0.23 0.00 0.00 176.35 176.21 2c9i s LEU 155 N -1.57 2.09 -0.16 1.79 2.96 0.56 -1.10 118.68 123.26 2c9i s LEU 155 Ca 0.01 -0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 2c9i s LEU 155 Cb -0.09 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 2c9i s LEU 155 CO 0.02 -0.09 0.02 -0.76 -1.32 0.00 0.00 176.35 174.22 2c9i s LEU 156 N 1.40 3.62 -0.04 -0.68 1.02 0.11 -1.68 118.68 122.42 2c9i s LEU 156 Ca 0.02 0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.25 2c9i s LEU 156 Cb -0.15 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 2c9i s LEU 156 CO -0.10 0.21 -0.19 -0.13 0.02 0.00 0.00 176.35 176.16 2c9i s ARG 157 N 0.16 1.81 0.05 1.70 0.52 -0.82 -0.42 118.95 121.96 2c9i s ARG 157 Ca 0.02 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.48 2c9i s ARG 157 Cb -0.13 -1.61 -0.00 0.00 0.52 0.00 0.00 34.95 33.73 2c9i s ARG 157 CO 0.01 0.31 0.17 0.34 0.02 0.00 0.00 175.30 176.15 2c9i s ASP 158 N -0.12 0.10 -0.56 0.23 2.15 -0.81 -1.14 116.67 116.52 2c9i s ASP 158 Ca -0.01 -0.50 0.07 0.00 0.43 0.00 0.00 52.55 52.54 2c9i s ASP 158 Cb -0.11 0.29 0.25 0.00 -0.30 0.00 0.00 42.92 43.06 2c9i s ASP 158 CO 0.02 -0.60 0.69 1.07 -0.17 0.00 0.00 175.17 176.17 2c9i n THR 159 N 0.46 1.42 -2.27 1.71 5.66 -1.26 -1.08 114.28 118.91 2c9i n THR 159 Ca -0.18 -4.86 -0.35 0.00 -3.05 0.00 0.00 64.05 55.62 2c9i n THR 159 Cb 0.60 -2.01 -0.00 0.00 -1.55 0.00 0.00 70.33 67.37 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 -2.12 3.40 -0.13 1.09 0.04 -1.14 -4.80 135.00 131.33 2c9i s PRO 160 Ca 0.39 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2c9i s PRO 160 Cb 0.16 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2c9i s PRO 160 CO -0.05 -0.81 -0.15 0.00 0.04 0.00 0.00 177.00 176.03 2c9i s ALA 161 N -1.76 2.53 -0.23 8.56 0.00 -1.26 -1.94 121.76 127.65 2c9i s ALA 161 Ca 0.72 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 2c9i s ALA 161 Cb -0.24 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 2c9i s ALA 161 CO 0.27 0.17 0.14 -1.17 0.00 0.00 0.00 175.76 175.17 2c9i s LEU 162 N 0.49 3.99 0.33 0.00 2.96 -0.10 -1.07 118.68 125.28 2c9i s LEU 162 Ca -0.10 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.60 2c9i s LEU 162 Cb -0.16 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 44.37 2c9i s LEU 162 CO 0.05 0.07 1.14 -0.04 -1.32 0.00 0.00 176.35 176.24 2c9i s MET 163 N 1.05 4.39 0.25 1.98 -1.94 -0.21 -0.09 119.30 124.74 2c9i s MET 163 Ca 0.07 1.83 0.10 0.00 -1.71 0.00 0.00 55.69 55.98 2c9i s MET 163 Cb -0.14 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.70 2c9i s MET 163 CO 0.04 -0.02 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.45 2c9i s LEU 164 N -1.91 3.01 0.45 -0.03 1.43 -0.38 0.12 118.68 121.37 2c9i s LEU 164 Ca 0.50 -0.73 0.17 0.00 -1.03 0.00 0.00 54.13 53.05 2c9i s LEU 164 Cb -0.31 -1.56 1.06 0.00 0.03 0.00 0.00 46.19 45.41 2c9i s LEU 164 CO 0.40 0.03 1.98 0.00 0.23 0.00 0.00 176.35 178.99 2c9i h ALA 165 N 2.17 1.53 0.00 4.21 0.00 -1.40 -2.14 119.26 123.62 2c9i h ALA 165 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2c9i h ALA 165 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2c9i h ALA 165 CO 0.59 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 2c9i n ASP 166 N -4.10 0.00 0.00 0.00 5.68 -1.26 -4.90 116.55 111.97 2c9i n ASP 166 Ca -0.02 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 2c9i n ASP 166 Cb 0.27 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 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 1.25 0.46 0.00 6.12 0.00 -0.80 -5.08 105.19 107.13 2c9i n GLY 167 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.53 1.40 3.14 -0.02 0.00 -1.26 -4.83 105.19 102.08 2c9i n GLY 168 Ca 0.00 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 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 1.60 1.07 -0.24 1.61 3.76 -1.26 -1.25 115.29 120.58 2c9i s HIS 169 Ca 0.00 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 2c9i s HIS 169 Cb 0.00 -0.61 0.04 0.00 1.11 0.00 0.00 32.58 33.12 2c9i s HIS 169 CO 0.00 0.02 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.61 2c9i s LEU 170 N -1.59 3.07 0.18 0.89 2.96 0.87 -4.94 118.68 120.12 2c9i s LEU 170 Ca -0.03 -1.13 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 2c9i s LEU 170 Cb -0.10 -1.55 -0.06 0.00 0.50 0.00 0.00 46.19 44.98 2c9i s LEU 170 CO 0.02 -0.13 0.47 -0.94 -1.32 0.00 0.00 176.35 174.44 2c9i s SER 171 N 1.18 6.57 0.06 3.68 1.04 -1.26 -0.92 113.70 124.05 2c9i s SER 171 Ca -0.04 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2c9i s SER 171 Cb -0.18 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 2c9i s SER 171 CO -0.07 -0.01 -0.05 0.00 0.98 0.00 0.00 173.24 174.10 2c9i s PHE 173 N -3.27 3.47 -0.10 0.00 2.99 0.00 -2.87 117.98 118.20 2c9i s PHE 173 Ca 0.04 0.40 0.03 0.00 0.00 0.00 0.00 56.93 57.40 2c9i s PHE 173 Cb 0.03 -1.98 -0.01 0.00 0.00 0.00 0.00 43.02 41.07 2c9i s PHE 173 CO -0.06 0.56 -0.20 -1.64 -0.00 0.00 0.00 175.22 173.87 2c9i s MET 174 N -0.59 3.06 -0.18 0.44 -1.94 -0.24 -0.66 119.30 119.18 2c9i s MET 174 Ca 0.12 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.29 2c9i s MET 174 Cb -0.12 -2.38 0.04 0.00 2.01 0.00 0.00 34.83 34.38 2c9i s MET 174 CO 0.02 0.24 -0.10 -1.21 -0.01 0.00 0.00 175.02 173.96 2c9i s GLU 175 N 0.23 1.99 -0.10 2.03 2.02 -0.78 -1.93 118.70 122.15 2c9i s GLU 175 Ca -0.13 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.17 2c9i s GLU 175 Cb -0.16 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.80 2c9i s GLU 175 CO 0.07 -0.38 -0.20 0.99 0.02 0.00 0.00 175.26 175.76 2c9i s THR 176 N 1.46 1.76 0.03 3.63 2.01 0.44 -1.87 115.64 123.10 2c9i s THR 176 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2c9i s THR 176 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2c9i s THR 176 CO -0.09 0.49 0.11 0.42 -0.69 0.00 0.00 174.62 174.87 2c9i s THR 177 N 0.60 4.85 -0.04 -0.82 -4.23 0.38 0.07 115.64 116.45 2c9i s THR 177 Ca -0.14 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 2c9i s THR 177 Cb -0.17 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.39 2c9i s THR 177 CO 0.04 0.24 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.94 2c9i s TYR 178 N -1.32 1.19 -0.04 3.99 1.51 -0.26 -1.69 117.35 120.74 2c9i s TYR 178 Ca 0.27 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 56.00 2c9i s TYR 178 Cb -0.12 -0.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.91 2c9i s TYR 178 CO 0.19 -0.14 0.01 0.21 -1.11 0.00 0.00 175.55 174.71 2c9i s LYS 179 N 0.23 0.29 0.25 -0.62 2.20 -0.40 -2.48 119.74 119.22 2c9i s LYS 179 Ca -0.05 0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 55.63 2c9i s LYS 179 Cb -0.10 -0.57 -0.06 0.00 -1.51 0.00 0.00 37.83 35.59 2c9i s LYS 179 CO 0.01 -0.19 0.52 -1.54 -0.36 0.00 0.00 175.35 173.79 2c9i s SER 180 N 1.36 6.50 0.21 1.43 1.04 -1.26 -0.46 113.70 122.51 2c9i s SER 180 Ca -0.05 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.16 2c9i s SER 180 Cb -0.13 -2.15 0.14 0.00 0.10 0.00 0.00 66.02 63.98 2c9i s SER 180 CO -0.02 -0.13 1.48 0.11 0.98 0.00 0.00 173.24 175.66 2c9i h LYS 181 N 2.07 0.22 -6.57 4.02 1.57 -1.46 -3.44 116.57 112.98 2c9i h LYS 181 Ca -0.47 -0.19 -0.68 0.00 -1.87 0.00 0.00 60.65 57.44 2c9i h LYS 181 Cb 1.18 0.04 -0.21 0.00 0.08 0.00 0.00 32.23 33.32 2c9i h LYS 181 CO 0.68 0.84 -0.80 0.15 -0.57 0.00 0.00 179.45 179.76 2c9i s LYS 182 N -3.53 2.08 0.10 3.15 -0.14 -1.26 -5.08 119.74 115.06 2c9i s LYS 182 Ca -0.04 -0.98 -0.31 0.00 -1.36 0.00 0.00 55.97 53.28 2c9i s LYS 182 Cb 0.11 -2.20 -0.08 0.00 -1.68 0.00 0.00 37.83 33.98 2c9i s LYS 182 CO 0.81 0.54 1.46 -2.00 -0.76 0.00 0.00 175.35 175.40 2c9i s GLU 183 N -1.50 4.28 0.36 1.68 2.12 -1.26 -4.97 118.70 119.40 2c9i s GLU 183 Ca 0.15 2.15 0.06 0.00 0.36 0.00 0.00 54.97 57.69 2c9i s GLU 183 Cb -0.11 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 2c9i s GLU 183 CO 0.06 -0.53 0.01 0.14 -0.54 0.00 0.00 175.26 174.40 2c9i s VAL 184 N 1.53 1.65 -0.07 3.70 -7.23 -1.26 -5.10 120.40 113.62 2c9i s VAL 184 Ca 0.67 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 2c9i s VAL 184 Cb -0.38 -2.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 2c9i s VAL 184 CO 0.30 -0.05 1.55 -0.75 -0.31 0.00 0.00 175.10 175.84 2c9i s LYS 185 N -3.78 4.20 0.12 4.82 2.20 -1.26 -4.99 119.74 121.05 2c9i s LYS 185 Ca 0.35 2.06 -0.30 0.00 -0.36 0.00 0.00 55.97 57.72 2c9i s LYS 185 Cb 0.08 -3.90 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 2c9i s LYS 185 CO 0.16 -0.80 0.96 -0.51 -0.36 0.00 0.00 175.35 174.80 2c9i s LEU 186 N 3.79 4.51 0.68 5.43 1.02 -1.26 -4.67 118.68 128.18 2c9i s LEU 186 Ca 0.69 1.80 -0.11 0.00 0.02 0.00 0.00 54.13 56.52 2c9i s LEU 186 Cb -0.31 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.31 2c9i s LEU 186 CO 0.26 -0.05 1.06 -2.16 0.02 0.00 0.00 176.35 175.49 2c9i s PRO 187 N -0.09 3.12 0.71 1.29 0.04 -1.26 -4.89 135.00 133.92 2c9i s PRO 187 Ca 0.46 0.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 2c9i s PRO 187 Cb -0.23 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2c9i s PRO 187 CO 0.30 -0.90 1.07 -1.21 0.04 0.00 0.00 177.00 176.31 2c9i s GLU 188 N -5.22 2.63 0.22 4.56 2.02 -1.26 -4.47 118.70 117.19 2c9i s GLU 188 Ca 0.57 0.25 -0.32 0.00 0.02 0.00 0.00 54.97 55.49 2c9i s GLU 188 Cb -0.12 -2.06 -0.13 0.00 0.10 0.00 0.00 34.13 31.92 2c9i s GLU 188 CO 0.53 -1.11 1.60 -0.11 0.02 0.00 0.00 175.26 176.20 2c9i n LEU 189 N -2.99 3.68 0.00 1.80 0.00 -1.26 -4.85 117.00 113.38 2c9i n LEU 189 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 56.01 57.18 2c9i n LEU 189 Cb 0.58 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.49 2c9i n LEU 189 CO 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 177.39 177.89 2c9i n HIS 190 N 3.07 -0.57 -4.25 1.96 1.44 -0.90 -4.94 115.22 111.04 2c9i n HIS 190 Ca 0.14 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.65 2c9i n HIS 190 Cb 0.33 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.32 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 -6.04 1.52 -0.16 -1.40 0.08 -0.38 -0.09 117.98 111.51 2c9i s PHE 191 Ca 0.00 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 2c9i s PHE 191 Cb 0.00 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 2c9i s PHE 191 CO 0.00 0.17 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.19 2c9i s HIS 192 N -1.64 2.90 -0.28 0.36 3.76 0.43 -1.61 115.29 119.19 2c9i s HIS 192 Ca 0.06 -0.66 -0.08 0.00 -0.15 0.00 0.00 55.06 54.23 2c9i s HIS 192 Cb -0.08 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2c9i s HIS 192 CO 0.04 -0.27 0.10 -1.01 -0.85 0.00 0.00 174.74 172.74 2c9i s HIS 193 N 0.67 3.13 0.15 1.40 0.09 0.37 0.23 115.29 121.34 2c9i s HIS 193 Ca -0.05 -0.67 0.10 0.00 -0.00 0.00 0.00 55.06 54.44 2c9i s HIS 193 Cb -0.15 -2.28 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 2c9i s HIS 193 CO 0.02 -0.47 -0.22 -0.51 -0.00 0.00 0.00 174.74 173.56 2c9i s LEU 194 N 1.57 2.38 -0.18 0.89 2.01 -0.03 -1.26 118.68 124.07 2c9i s LEU 194 Ca 0.05 -0.80 -0.04 0.00 0.01 0.00 0.00 54.13 53.34 2c9i s LEU 194 Cb -0.16 -1.02 0.08 0.00 0.01 0.00 0.00 46.19 45.09 2c9i s LEU 194 CO 0.04 0.08 0.20 -0.60 1.01 0.00 0.00 176.35 177.07 2c9i s ARG 195 N -2.42 0.15 -0.19 1.70 3.52 -0.44 -1.79 118.95 119.47 2c9i s ARG 195 Ca 0.15 0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 55.96 2c9i s ARG 195 Cb -0.08 -1.10 -0.01 0.00 -1.56 0.00 0.00 34.95 32.20 2c9i s ARG 195 CO 0.07 -0.59 -0.06 1.41 -0.81 0.00 0.00 175.30 175.32 2c9i s MET 196 N 2.30 3.42 -0.01 5.12 -2.45 -1.26 -1.83 119.30 124.59 2c9i s MET 196 Ca 0.05 -0.62 0.02 0.00 -1.25 0.00 0.00 55.69 53.89 2c9i s MET 196 Cb -0.15 -2.91 -0.00 0.00 1.25 0.00 0.00 34.83 33.02 2c9i s MET 196 CO -0.11 -0.05 -0.06 -1.21 1.05 0.00 0.00 175.02 174.65 2c9i s GLU 197 N 1.08 0.56 -0.13 4.11 2.02 0.60 -4.53 118.70 122.40 2c9i s GLU 197 Ca 0.01 -0.21 -0.24 0.00 0.02 0.00 0.00 54.97 54.54 2c9i s GLU 197 Cb -0.15 -0.55 -0.02 0.00 0.10 0.00 0.00 34.13 33.51 2c9i s GLU 197 CO -0.01 0.11 0.77 0.15 0.02 0.00 0.00 175.26 176.31 2c9i s LYS 198 N -0.01 4.34 -0.21 1.61 1.02 -1.26 -0.24 119.74 124.99 2c9i s LYS 198 Ca 0.01 0.94 0.11 0.00 0.02 0.00 0.00 55.97 57.04 2c9i s LYS 198 Cb -0.04 -3.53 -0.22 0.00 -0.52 0.00 0.00 37.83 33.52 2c9i s LYS 198 CO -0.00 -0.19 0.00 1.28 -0.92 0.00 0.00 175.35 175.52 2c9i n LEU 199 N 4.72 1.26 -3.85 3.17 4.77 0.67 -4.98 117.00 122.76 2c9i n LEU 199 Ca 0.02 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2c9i n LEU 199 Cb 0.50 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 2c9i n LEU 199 CO 0.47 0.67 -0.16 0.20 -1.33 0.00 0.00 177.39 177.24 2c9i s ASN 200 N -5.97 -0.03 -0.05 -1.43 0.01 -1.22 -4.99 114.94 101.27 2c9i s ASN 200 Ca -0.19 -0.07 -0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2c9i s ASN 200 Cb 0.07 0.24 0.04 0.00 0.41 0.00 0.00 41.25 42.01 2c9i s ASN 200 CO 0.74 -0.30 0.09 -0.51 -1.51 0.00 0.00 177.10 175.61 2c9i s ILE 201 N -1.05 -0.09 0.66 0.60 2.07 -1.26 -1.31 121.20 120.82 2c9i s ILE 201 Ca -0.11 0.25 -0.12 0.00 -1.41 0.00 0.00 60.65 59.25 2c9i s ILE 201 Cb -0.06 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 2c9i s ILE 201 CO 0.01 0.10 1.05 -0.94 -1.91 0.00 0.00 174.94 173.26 2c9i s SER 202 N 1.39 5.61 0.34 4.50 1.04 -0.17 -4.97 113.70 121.44 2c9i s SER 202 Ca -0.06 1.65 0.03 0.00 0.48 0.00 0.00 55.95 58.05 2c9i s SER 202 Cb -0.12 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.11 2c9i s SER 202 CO -0.04 -1.29 1.93 0.44 0.98 0.00 0.00 173.24 175.26 2c9i h ASP 203 N -0.33 0.61 0.21 7.02 3.32 -2.02 -1.86 116.42 123.37 2c9i h ASP 203 Ca -0.45 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2c9i h ASP 203 Cb 1.21 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2c9i h ASP 203 CO 0.58 0.56 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.74 2c9i n ASP 204 N -4.36 0.10 -1.20 6.45 3.85 -1.26 -4.90 116.55 115.23 2c9i n ASP 204 Ca 0.04 -0.71 -0.14 0.00 -0.71 0.00 0.00 54.79 53.27 2c9i n ASP 204 Cb 0.15 -0.10 -0.04 0.00 -1.35 0.00 0.00 41.12 39.78 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 -1.04 -0.19 0.03 2.11 7.02 -0.70 -4.66 117.44 120.00 2c9i n TRP 205 Ca 0.20 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.76 2c9i n TRP 205 Cb 0.18 -2.60 -0.12 0.00 -2.42 0.00 0.00 31.31 26.35 2c9i n TRP 205 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2c9i n LYS 206 N -2.52 0.56 -4.83 -0.99 4.01 -1.26 -4.64 118.16 108.50 2c9i n LYS 206 Ca -0.14 -0.14 -0.26 0.00 -0.51 0.00 0.00 58.31 57.26 2c9i n LYS 206 Cb 0.50 -1.38 -0.16 0.00 -0.51 0.00 0.00 35.03 33.48 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 -3.08 1.42 -0.11 -0.18 2.01 -1.26 -0.07 115.64 114.36 2c9i s THR 207 Ca -0.05 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 2c9i s THR 207 Cb 0.10 -1.22 0.04 0.00 0.01 0.00 0.00 72.50 71.43 2c9i s THR 207 CO 0.67 0.41 0.27 0.54 -0.69 0.00 0.00 174.62 175.82 2c9i s VAL 208 N 0.07 -0.03 -0.22 3.82 0.11 -0.01 -1.00 120.40 123.13 2c9i s VAL 208 Ca -0.04 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.02 2c9i s VAL 208 Cb -0.12 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 2c9i s VAL 208 CO 0.02 0.05 0.13 -0.70 -3.33 0.00 0.00 175.10 171.27 2c9i s GLU 209 N 1.08 4.06 -0.07 1.54 2.12 -0.43 -0.50 118.70 126.50 2c9i s GLU 209 Ca -0.08 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.00 2c9i s GLU 209 Cb -0.09 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.86 2c9i s GLU 209 CO -0.08 0.13 -0.14 -1.14 -0.54 0.00 0.00 175.26 173.50 2c9i s GLN 210 N 0.84 1.87 0.08 4.30 0.74 -0.23 -0.24 119.66 127.02 2c9i s GLN 210 Ca 0.07 -0.48 0.09 0.00 0.05 0.00 0.00 55.36 55.09 2c9i s GLN 210 Cb -0.13 -1.52 -0.03 0.00 1.10 0.00 0.00 33.01 32.43 2c9i s GLN 210 CO 0.02 0.05 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.02 2c9i s HIS 211 N 0.61 2.45 -0.03 1.67 5.65 0.67 -0.75 115.29 125.56 2c9i s HIS 211 Ca -0.15 -0.32 -0.03 0.00 0.25 0.00 0.00 55.06 54.82 2c9i s HIS 211 Cb -0.16 -1.38 0.01 0.00 -1.18 0.00 0.00 32.58 29.87 2c9i s HIS 211 CO 0.04 0.27 0.08 -2.00 -0.65 0.00 0.00 174.74 172.48 2c9i s GLU 212 N -1.68 0.10 -0.05 2.88 2.12 -0.45 -0.29 118.70 121.34 2c9i s GLU 212 Ca 0.15 0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.61 2c9i s GLU 212 Cb -0.10 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 2c9i s GLU 212 CO 0.06 -0.01 -0.16 -1.12 -0.54 0.00 0.00 175.26 173.48 2c9i s SER 213 N 0.01 2.09 -0.03 -1.70 0.01 -0.76 -1.38 113.70 111.94 2c9i s SER 213 Ca -0.00 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2c9i s SER 213 Cb -0.01 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.59 2c9i s SER 213 CO 0.00 0.13 -0.05 -0.69 0.41 0.00 0.00 173.24 173.04 2c9i s VAL 214 N 0.15 0.51 -0.11 3.43 1.01 0.30 -1.33 120.40 124.37 2c9i s VAL 214 Ca -0.06 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2c9i s VAL 214 Cb -0.12 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2c9i s VAL 214 CO 0.03 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.46 2c9i s VAL 215 N 0.62 1.65 -0.12 2.92 1.01 -0.39 -1.65 120.40 124.44 2c9i s VAL 215 Ca -0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2c9i s VAL 215 Cb -0.11 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2c9i s VAL 215 CO 0.00 0.47 0.21 0.00 0.00 0.00 0.00 175.10 175.78 2c9i s ALA 216 N 0.81 3.76 -0.02 5.51 0.00 0.23 -0.47 121.76 131.58 2c9i s ALA 216 Ca -0.10 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 2c9i s ALA 216 Cb -0.16 -2.15 0.09 0.00 0.00 0.00 0.00 23.12 20.90 2c9i s ALA 216 CO 0.01 0.42 0.77 0.45 0.00 0.00 0.00 175.76 177.40 2c9i s SER 217 N -0.52 -0.53 0.91 0.00 0.15 -0.64 -4.33 113.70 108.75 2c9i s SER 217 Ca 0.15 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.06 2c9i s SER 217 Cb -0.13 0.47 0.14 0.00 -1.71 0.00 0.00 66.02 64.79 2c9i s SER 217 CO 0.04 -0.63 1.09 -0.31 1.20 0.00 0.00 173.24 174.64 2c9i s TYR 218 N -2.05 2.31 0.35 3.44 4.12 -1.26 -1.25 117.35 123.01 2c9i s TYR 218 Ca -0.04 1.20 -0.28 0.00 0.02 0.00 0.00 57.07 57.97 2c9i s TYR 218 Cb -0.00 -3.18 -0.12 0.00 -1.52 0.00 0.00 41.96 37.14 2c9i s TYR 218 CO -0.00 -2.45 1.36 0.45 0.02 0.00 0.00 175.55 174.93 2c9i n SER 219 N -3.91 3.08 0.16 2.29 2.88 -1.26 -4.89 113.62 111.97 2c9i n SER 219 Ca 0.07 1.21 0.04 0.00 -1.33 0.00 0.00 58.87 58.85 2c9i n SER 219 Cb 0.56 -1.52 0.19 0.00 -0.75 0.00 0.00 64.21 62.68 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 2.76 0.00 -6.48 -1.46 3.07 -2.00 -3.46 115.11 107.54 2c9i h GLN 220 Ca -0.47 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 57.73 2c9i h GLN 220 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.82 2c9i h GLN 220 CO 0.64 0.46 0.43 0.54 0.09 0.00 0.00 178.83 180.99 2c9i s VAL 221 N -3.29 4.48 0.66 1.86 0.11 -1.26 -5.01 120.40 117.95 2c9i s VAL 221 Ca 0.02 1.85 -0.17 0.00 -2.93 0.00 0.00 61.98 60.75 2c9i s VAL 221 Cb 0.09 -4.19 -0.02 0.00 -1.53 0.00 0.00 36.38 30.74 2c9i s VAL 221 CO 0.72 0.18 1.02 -2.65 -3.33 0.00 0.00 175.10 171.04 2c9i n PRO 222 N 3.58 0.77 -4.63 1.54 -0.02 -1.26 -5.04 135.00 129.94 2c9i n PRO 222 Ca 0.06 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 2c9i n PRO 222 Cb 0.49 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.44 4.60 0.15 2.55 0.15 -1.26 -5.01 113.70 113.44 2c9i s SER 223 Ca 0.77 -0.04 0.24 0.00 0.70 0.00 0.00 55.95 57.62 2c9i s SER 223 Cb -0.38 -1.14 0.42 0.00 -1.71 0.00 0.00 66.02 63.22 2c9i s SER 223 CO 0.47 0.35 1.41 0.11 1.20 0.00 0.00 173.24 176.78 2c9i h LYS 224 N 5.19 0.00 -0.04 5.44 1.79 -1.96 -3.36 116.57 123.63 2c9i h LYS 224 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2c9i h LYS 224 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2c9i h LYS 224 CO 0.52 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 180.17 2c9i n LEU 225 N -2.18 2.17 -0.49 2.94 4.32 -1.26 -4.99 117.00 117.52 2c9i n LEU 225 Ca 0.04 -1.06 -0.05 0.00 -0.02 0.00 0.00 56.01 54.92 2c9i n LEU 225 Cb 0.44 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 42.22 2c9i n LEU 225 CO 0.35 0.41 -0.06 0.61 -1.22 0.00 0.00 177.39 177.49 2c9i n GLY 226 N 0.75 0.31 3.91 -0.72 0.00 -1.26 -5.05 105.19 103.13 2c9i n GLY 226 Ca 0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2c9i n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c9i s HIS 227 N -2.22 3.48 -2.00 1.61 3.76 -1.26 -5.11 115.29 113.56 2c9i s HIS 227 Ca 0.00 0.44 0.13 0.00 -0.15 0.00 0.00 55.06 55.48 2c9i s HIS 227 Cb 0.00 -1.92 0.75 0.00 1.11 0.00 0.00 32.58 32.52 2c9i s HIS 227 CO 0.00 0.44 1.18 0.09 -0.85 0.00 0.00 174.74 175.59