#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9i s TYR 2 N 0.00 3.70 0.22 1.12 2.02 -1.26 -5.05 117.35 118.10 2c9i s TYR 2 Ca 0.00 0.88 -0.32 0.00 -0.37 0.00 0.00 57.07 57.27 2c9i s TYR 2 Cb 0.00 -2.21 -0.13 0.00 -0.40 0.00 0.00 41.96 39.22 2c9i s TYR 2 CO 0.00 0.66 1.50 -2.30 -1.57 0.00 0.00 175.55 173.85 2c9i n PRO 3 N 1.88 2.21 -0.81 -1.71 -0.02 -1.26 -2.62 135.00 132.67 2c9i n PRO 3 Ca -0.15 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2c9i n PRO 3 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.63 -0.13 -4.58 2.55 2.88 -1.26 -4.83 113.62 110.87 2c9i n SER 4 Ca 0.13 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.27 2c9i n SER 4 Cb 0.32 -1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 62.69 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 -2.78 5.11 0.26 2.46 -1.09 -1.08 -4.97 121.20 119.12 2c9i s ILE 5 Ca 0.00 0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.95 2c9i s ILE 5 Cb 0.00 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2c9i s ILE 5 CO 0.00 -0.00 0.25 -0.54 -1.23 0.00 0.00 174.94 173.42 2c9i s LYS 6 N 2.19 3.02 0.44 2.79 1.02 -1.26 -4.79 119.74 123.15 2c9i s LYS 6 Ca 0.16 -1.02 0.16 0.00 0.02 0.00 0.00 55.97 55.29 2c9i s LYS 6 Cb -0.16 -2.63 1.06 0.00 -0.52 0.00 0.00 37.83 35.59 2c9i s LYS 6 CO 0.11 0.35 1.95 0.93 -0.92 0.00 0.00 175.35 177.78 2c9i h GLU 7 N 1.37 0.37 -3.79 1.68 4.39 -1.97 -3.39 114.58 113.24 2c9i h GLU 7 Ca -0.49 -0.02 -0.37 0.00 0.34 0.00 0.00 59.36 58.82 2c9i h GLU 7 Cb 1.24 -0.08 -0.35 0.00 -0.10 0.00 0.00 28.75 29.46 2c9i h GLU 7 CO 0.60 0.25 -0.76 -0.08 -1.16 0.00 0.00 179.01 177.86 2c9i s THR 8 N -5.37 0.28 0.05 1.13 -1.32 -1.26 -3.97 115.64 105.18 2c9i s THR 8 Ca -0.08 0.04 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 2c9i s THR 8 Cb 0.20 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.80 2c9i s THR 8 CO 0.76 0.18 -0.16 -0.04 -2.21 0.00 0.00 174.62 173.14 2c9i s MET 9 N 1.12 1.03 0.33 7.08 -1.94 -0.62 -4.97 119.30 121.32 2c9i s MET 9 Ca -0.08 -0.87 -0.02 0.00 -1.71 0.00 0.00 55.69 53.01 2c9i s MET 9 Cb -0.14 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.58 2c9i s MET 9 CO -0.02 0.26 0.56 1.03 -0.01 0.00 0.00 175.02 176.85 2c9i s ARG 10 N -1.33 3.53 -0.03 2.03 0.52 -0.73 -1.92 118.95 121.02 2c9i s ARG 10 Ca 0.03 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.09 2c9i s ARG 10 Cb -0.09 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 2c9i s ARG 10 CO 0.02 0.15 -0.16 0.08 0.02 0.00 0.00 175.30 175.41 2c9i s VAL 11 N -2.26 1.32 -0.18 3.52 1.01 0.84 -0.45 120.40 124.20 2c9i s VAL 11 Ca 0.42 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2c9i s VAL 11 Cb -0.10 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.21 2c9i s VAL 11 CO 0.35 0.38 -0.05 -1.58 0.00 0.00 0.00 175.10 174.20 2c9i s GLN 12 N -0.16 1.44 -0.02 2.72 0.74 -0.22 -1.62 119.66 122.55 2c9i s GLN 12 Ca 0.01 -0.61 0.07 0.00 0.05 0.00 0.00 55.36 54.88 2c9i s GLN 12 Cb -0.09 -2.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.86 2c9i s GLN 12 CO 0.01 -0.48 -0.23 -1.17 -0.55 0.00 0.00 175.29 172.87 2c9i s LEU 13 N 1.59 2.05 -0.04 3.68 0.20 0.10 -0.22 118.68 126.05 2c9i s LEU 13 Ca -0.01 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.43 2c9i s LEU 13 Cb -0.16 -1.16 0.01 0.00 -0.43 0.00 0.00 46.19 44.44 2c9i s LEU 13 CO -0.07 0.28 -0.11 -0.94 -0.29 0.00 0.00 176.35 175.21 2c9i s SER 14 N -0.55 1.53 -0.02 3.68 1.04 -0.10 -0.11 113.70 119.17 2c9i s SER 14 Ca 0.09 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.31 2c9i s SER 14 Cb -0.09 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.53 2c9i s SER 14 CO -0.01 0.07 -0.13 -0.32 0.98 0.00 0.00 173.24 173.84 2c9i s MET 15 N 0.30 1.13 0.03 4.02 0.00 0.14 -0.65 119.30 124.27 2c9i s MET 15 Ca -0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 55.69 55.18 2c9i s MET 15 Cb -0.11 -1.06 -0.02 0.00 0.00 0.00 0.00 34.83 33.63 2c9i s MET 15 CO 0.02 0.23 -0.03 -1.83 0.00 0.00 0.00 175.02 173.41 2c9i s GLU 16 N -0.12 0.36 0.00 4.11 -1.05 -0.91 -0.05 118.70 121.04 2c9i s GLU 16 Ca 0.02 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 2c9i s GLU 16 Cb -0.07 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 2c9i s GLU 16 CO 0.00 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.56 2c9i n GLY 17 N 1.34 -0.63 3.33 -3.83 0.00 -0.85 -1.56 105.19 102.98 2c9i n GLY 17 Ca -0.22 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.40 -0.07 1.61 1.04 -0.86 -0.81 113.70 110.21 2c9i s SER 18 Ca 0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 2c9i s SER 18 Cb 0.00 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.83 2c9i s SER 18 CO 0.00 -0.29 -0.07 -0.69 0.98 0.00 0.00 173.24 173.18 2c9i s VAL 19 N -0.38 0.81 -1.05 5.02 1.01 -0.72 -0.32 120.40 124.76 2c9i s VAL 19 Ca -0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 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 0.31 0.74 0.59 0.00 0.00 0.00 175.10 176.76 2c9i n ASN 20 N 4.44 -5.36 0.00 3.32 5.03 -0.63 -2.17 115.26 119.89 2c9i n ASN 20 Ca -0.18 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.32 2c9i n ASN 20 Cb 0.51 -3.04 0.00 0.00 -1.02 0.00 0.00 39.78 36.23 2c9i n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2c9i n TYR 21 N -3.78 0.00 -3.70 3.10 4.02 -1.26 -4.97 117.16 110.56 2c9i n TYR 21 Ca -0.12 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.39 2c9i n TYR 21 Cb 0.59 -0.49 -0.12 0.00 -0.02 0.00 0.00 39.34 39.30 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 -2.39 3.14 0.28 -0.72 2.46 -0.92 -5.09 115.29 112.06 2c9i s HIS 22 Ca 0.00 -0.60 -0.17 0.00 0.47 0.00 0.00 55.06 54.76 2c9i s HIS 22 Cb 0.00 -2.30 -0.09 0.00 -0.13 0.00 0.00 32.58 30.06 2c9i s HIS 22 CO 0.00 -0.45 0.74 0.00 -2.47 0.00 0.00 174.74 172.57 2c9i s ALA 23 N 1.59 3.35 0.18 1.58 0.00 -1.26 -1.76 121.76 125.45 2c9i s ALA 23 Ca 0.05 0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 2c9i s ALA 23 Cb -0.16 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2c9i s ALA 23 CO 0.05 0.32 0.51 -0.59 0.00 0.00 0.00 175.76 176.05 2c9i s PHE 24 N -1.78 -0.17 0.02 0.00 -0.12 0.01 -4.24 117.98 111.70 2c9i s PHE 24 Ca 0.49 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.23 2c9i s PHE 24 Cb -0.13 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2c9i s PHE 24 CO 0.19 -0.88 -0.05 0.15 -0.05 0.00 0.00 175.22 174.58 2c9i s LYS 25 N -3.85 0.38 0.04 1.99 1.02 -0.61 -2.01 119.74 116.69 2c9i s LYS 25 Ca 0.07 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.66 2c9i s LYS 25 Cb -0.01 -0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 2c9i s LYS 25 CO -0.05 0.05 -0.07 0.00 -0.92 0.00 0.00 175.35 174.36 2c9i s THR 27 N -1.30 1.57 -0.01 0.00 -4.23 -0.04 0.24 115.64 111.87 2c9i s THR 27 Ca -0.10 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2c9i s THR 27 Cb -0.09 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2c9i s THR 27 CO 0.00 -0.21 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.01 2c9i s GLY 28 N -2.15 0.17 -0.07 3.99 0.00 0.85 -0.49 107.32 109.63 2c9i s GLY 28 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2c9i s GLY 28 CO 0.04 -0.05 -0.05 0.54 0.00 0.00 0.00 173.10 173.58 2c9i s LYS 29 N 0.02 1.00 0.35 2.90 1.02 -0.80 0.02 119.74 124.26 2c9i s LYS 29 Ca 0.00 -0.12 -0.04 0.00 0.02 0.00 0.00 55.97 55.84 2c9i s LYS 29 Cb -0.03 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 2c9i s LYS 29 CO -0.00 -0.16 0.53 0.41 -0.92 0.00 0.00 175.35 175.22 2c9i n GLY 30 N 4.45 1.92 3.25 -3.33 0.00 -0.64 -1.09 105.19 109.75 2c9i n GLY 30 Ca -0.18 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 2c9i n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c9i s GLU 31 N -2.66 1.20 -0.09 1.61 8.01 -0.86 -0.11 118.70 125.81 2c9i s GLU 31 Ca 0.26 -1.52 -0.32 0.00 0.01 0.00 0.00 54.97 53.39 2c9i s GLU 31 Cb -0.02 0.30 0.14 0.00 -4.31 0.00 0.00 34.13 30.25 2c9i s GLU 31 CO 0.19 -0.41 1.42 0.20 0.01 0.00 0.00 175.26 176.67 2c9i s GLY 32 N -3.11 -0.48 -0.44 -1.39 0.00 -0.81 -0.42 107.32 100.67 2c9i s GLY 32 Ca 0.33 0.90 -0.03 0.00 0.00 0.00 0.00 44.72 45.92 2c9i s GLY 32 CO 0.09 0.42 0.24 0.54 0.00 0.00 0.00 173.10 174.39 2c9i s LYS 33 N -2.07 2.09 0.23 2.90 -0.14 0.31 -1.59 119.74 121.47 2c9i s LYS 33 Ca 0.16 -1.92 -0.06 0.00 -1.36 0.00 0.00 55.97 52.79 2c9i s LYS 33 Cb 0.07 -3.61 0.37 0.00 -1.68 0.00 0.00 37.83 32.99 2c9i s LYS 33 CO -0.06 -1.09 1.76 -1.35 -0.76 0.00 0.00 175.35 173.85 2c9i h PRO 34 N 7.92 0.52 0.00 -1.68 0.11 -1.79 0.21 132.00 137.30 2c9i h PRO 34 Ca -0.12 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.87 2c9i h PRO 34 Cb 1.03 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2c9i h PRO 34 CO 0.71 0.35 -0.41 1.88 -0.21 0.00 0.00 178.00 180.31 2c9i h TYR 35 N 0.54 0.00 -0.00 0.65 -1.99 -1.83 -3.06 116.97 111.28 2c9i h TYR 35 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 2c9i h TYR 35 Cb 0.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 2c9i h TYR 35 CO -0.13 0.41 -0.48 0.39 -0.00 0.00 0.00 178.16 178.35 2c9i n GLU 36 N -3.34 0.17 -1.22 4.88 1.02 -0.73 -4.40 120.64 117.00 2c9i n GLU 36 Ca 0.01 -0.10 -0.06 0.00 -0.02 0.00 0.00 57.16 56.99 2c9i n GLU 36 Cb 0.62 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 2c9i n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c9i n GLY 37 N 1.47 0.81 3.54 0.62 0.00 -0.01 -4.53 105.19 107.09 2c9i n GLY 37 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.23 3.19 0.05 2.61 -1.32 -1.11 -0.65 115.64 116.18 2c9i s THR 38 Ca 0.00 -1.27 -0.22 0.00 -1.21 0.00 0.00 61.69 58.99 2c9i s THR 38 Cb 0.00 -2.46 0.05 0.00 -1.51 0.00 0.00 72.50 68.58 2c9i s THR 38 CO 0.00 0.16 0.51 0.00 -2.21 0.00 0.00 174.62 173.08 2c9i s GLN 39 N -2.03 1.03 0.05 7.08 -2.07 -0.54 -0.53 119.66 122.66 2c9i s GLN 39 Ca 0.19 -0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.50 2c9i s GLN 39 Cb -0.11 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2c9i s GLN 39 CO 0.11 -0.37 -0.10 0.45 -1.32 0.00 0.00 175.29 174.05 2c9i s SER 40 N -2.01 1.20 -0.05 12.60 0.15 0.44 -1.62 113.70 124.40 2c9i s SER 40 Ca -0.05 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.01 2c9i s SER 40 Cb -0.01 -0.00 0.04 0.00 -1.71 0.00 0.00 66.02 64.34 2c9i s SER 40 CO -0.02 -0.15 0.10 -0.22 1.20 0.00 0.00 173.24 174.15 2c9i s LEU 41 N -1.62 0.56 -0.44 3.45 2.96 0.41 -2.02 118.68 121.97 2c9i s LEU 41 Ca -0.06 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.83 2c9i s LEU 41 Cb -0.10 0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.74 2c9i s LEU 41 CO 0.01 -0.18 0.59 0.20 -1.32 0.00 0.00 176.35 175.65 2c9i s ASN 42 N 1.56 6.28 -0.16 3.68 0.01 -0.25 -1.08 114.94 124.97 2c9i s ASN 42 Ca -0.04 -0.50 -0.08 0.00 -0.71 0.00 0.00 52.86 51.53 2c9i s ASN 42 Cb -0.12 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 2c9i s ASN 42 CO -0.04 -0.75 0.10 -0.63 -1.51 0.00 0.00 177.10 174.27 2c9i s ILE 43 N 2.63 5.16 -0.10 0.60 1.01 0.16 -1.90 121.20 128.76 2c9i s ILE 43 Ca 0.19 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2c9i s ILE 43 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2c9i s ILE 43 CO 0.17 0.51 -0.23 -0.89 0.00 0.00 0.00 174.94 174.50 2c9i s THR 44 N -0.11 1.98 -0.47 2.92 2.01 0.36 -1.26 115.64 121.07 2c9i s THR 44 Ca 0.09 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 2c9i s THR 44 Cb -0.12 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.70 2c9i s THR 44 CO 0.01 0.54 0.93 -0.63 -0.69 0.00 0.00 174.62 174.78 2c9i s ILE 45 N 0.40 4.46 -0.11 1.82 1.01 -0.20 -0.86 121.20 127.72 2c9i s ILE 45 Ca -0.18 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2c9i s ILE 45 Cb -0.18 -4.45 -0.24 0.00 0.01 0.00 0.00 42.46 37.60 2c9i s ILE 45 CO 0.08 -0.87 0.40 0.35 0.00 0.00 0.00 174.94 174.89 2c9i n THR 46 N 6.40 1.67 -4.16 2.92 -2.24 -0.20 -4.89 114.28 113.79 2c9i n THR 46 Ca 0.06 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 2c9i n THR 46 Cb 0.48 -1.39 -0.11 0.00 -2.10 0.00 0.00 70.33 67.21 2c9i n THR 46 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2c9i s GLU 47 N -2.56 0.81 0.00 -0.78 2.02 -0.96 -4.83 118.70 112.40 2c9i s GLU 47 Ca -0.17 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2c9i s GLU 47 Cb 0.07 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.63 2c9i s GLU 47 CO 0.78 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.60 2c9i n GLY 48 N 1.02 0.86 7.00 -1.39 0.00 -1.26 -1.57 105.19 109.85 2c9i n GLY 48 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2c9i n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 49 N -2.27 1.41 3.70 -0.02 0.00 -1.26 -4.13 105.19 102.62 2c9i n GLY 49 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 4.32 0.13 1.61 0.04 -1.26 -4.95 135.00 134.89 2c9i s PRO 50 Ca 0.00 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 2c9i s PRO 50 Cb 0.00 -3.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 2c9i s PRO 50 CO 0.00 -0.47 1.65 -0.51 0.04 0.00 0.00 177.00 177.71 2c9i s LEU 51 N 1.66 4.37 0.00 -3.56 1.02 -1.26 -4.89 118.68 116.02 2c9i s LEU 51 Ca 0.63 2.61 0.28 0.00 0.02 0.00 0.00 54.13 57.67 2c9i s LEU 51 Cb -0.33 -3.58 1.65 0.00 0.02 0.00 0.00 46.19 43.95 2c9i s LEU 51 CO 0.28 -0.89 2.01 -0.81 0.02 0.00 0.00 176.35 176.96 2c9i n PRO 52 N 4.82 0.85 -4.50 1.29 -0.04 -1.26 -4.80 135.00 131.37 2c9i n PRO 52 Ca 0.15 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 2c9i n PRO 52 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2c9i n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2c9i s PHE 53 N -2.03 2.17 0.05 0.54 -0.12 -1.26 -4.66 117.98 112.66 2c9i s PHE 53 Ca 0.41 -0.69 -0.30 0.00 -0.05 0.00 0.00 56.93 56.29 2c9i s PHE 53 Cb 0.19 -1.33 -0.08 0.00 -0.63 0.00 0.00 43.02 41.17 2c9i s PHE 53 CO 0.33 0.33 1.68 0.00 -0.05 0.00 0.00 175.22 177.51 2c9i s ALA 54 N -2.91 3.67 0.48 1.99 0.00 -0.08 -4.89 121.76 120.02 2c9i s ALA 54 Ca 0.32 1.18 0.17 0.00 0.00 0.00 0.00 51.96 53.64 2c9i s ALA 54 Cb 0.06 -3.72 1.19 0.00 0.00 0.00 0.00 23.12 20.65 2c9i s ALA 54 CO 0.15 -1.19 2.03 0.35 0.00 0.00 0.00 175.76 177.10 2c9i h PHE 55 N 8.69 0.20 -1.10 0.00 3.04 -1.92 -2.94 116.94 122.91 2c9i h PHE 55 Ca -0.43 0.01 0.30 0.00 3.98 0.00 0.00 57.97 61.83 2c9i h PHE 55 Cb 1.20 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 39.57 2c9i h PHE 55 CO 0.81 0.10 0.75 -0.44 -2.02 0.00 0.00 178.31 177.51 2c9i h ASP 56 N 0.19 0.24 0.45 0.41 3.32 -1.96 -0.40 116.42 118.68 2c9i h ASP 56 Ca 0.20 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2c9i h ASP 56 Cb 0.52 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2c9i h ASP 56 CO -0.03 0.03 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 2c9i n ILE 57 N -4.44 0.62 0.35 0.35 -5.35 -1.11 -2.32 119.36 107.46 2c9i n ILE 57 Ca 0.26 0.15 0.09 0.00 -0.27 0.00 0.00 62.75 62.99 2c9i n ILE 57 Cb 1.05 -0.86 -0.13 0.00 -1.74 0.00 0.00 39.64 37.96 2c9i n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2c9i n LEU 58 N -1.38 0.35 -0.30 7.28 4.77 -0.16 -4.67 117.00 122.90 2c9i n LEU 58 Ca 0.07 -0.20 0.05 0.00 -0.03 0.00 0.00 56.01 55.90 2c9i n LEU 58 Cb 0.17 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.46 2c9i n LEU 58 CO 0.15 0.09 1.14 0.28 -1.33 0.00 0.00 177.39 177.72 2c9i h SER 59 N 0.00 0.66 0.16 -1.43 0.02 -1.50 -1.07 113.55 110.38 2c9i h SER 59 Ca 0.00 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2c9i h SER 59 Cb 0.71 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2c9i h SER 59 CO 0.00 0.34 -0.21 0.45 -1.14 0.00 0.00 176.83 176.27 2c9i h HIS 60 N 0.76 0.12 0.00 3.45 3.86 -1.83 -2.61 115.15 118.90 2c9i h HIS 60 Ca 0.43 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.58 2c9i h HIS 60 Cb 0.49 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2c9i h HIS 60 CO -0.06 0.32 -0.21 0.00 0.86 0.00 0.00 177.93 178.84 2c9i h ALA 61 N 1.68 0.90 0.00 2.45 0.00 -1.51 -3.45 119.26 119.33 2c9i h ALA 61 Ca 0.02 -0.20 -0.40 0.00 0.00 0.00 0.00 54.91 54.33 2c9i h ALA 61 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2c9i h ALA 61 CO 0.03 0.27 1.73 1.19 0.00 0.00 0.00 179.25 182.47 2c9i n PHE 62 N -3.21 1.15 0.00 0.00 3.01 -0.99 -4.98 117.46 112.44 2c9i n PHE 62 Ca 0.02 -2.14 0.00 0.00 1.01 0.00 0.00 57.45 56.34 2c9i n PHE 62 Cb 0.55 -1.92 0.00 0.00 -0.01 0.00 0.00 39.48 38.09 2c9i n PHE 62 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2c9i n ILE 66 N 3.15 0.00 1.24 4.37 5.41 -1.26 -5.13 119.36 127.15 2c9i n ILE 66 Ca 0.56 0.00 0.10 0.00 1.00 0.00 0.00 62.75 64.41 2c9i n ILE 66 Cb 0.51 0.00 0.60 0.00 -0.71 0.00 0.00 39.64 40.04 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 0.58 0.12 0.38 4.76 -1.26 -2.57 118.16 120.16 2c9i n LYS 67 Ca 0.00 0.02 0.05 0.00 -2.87 0.00 0.00 58.31 55.51 2c9i n LYS 67 Cb 0.00 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.17 2c9i n LYS 67 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2c9i h VAL 68 N 0.00 1.10 -1.69 -0.18 2.07 -1.95 -3.28 116.25 112.31 2c9i h VAL 68 Ca 0.00 -0.32 -0.74 0.00 0.82 0.00 0.00 66.70 66.46 2c9i h VAL 68 Cb 0.04 0.88 -0.16 0.00 -1.52 0.00 0.00 31.29 30.53 2c9i h VAL 68 CO 0.00 0.12 1.75 0.49 0.02 0.00 0.00 177.57 179.94 2c9i n PHE 69 N -4.43 4.01 -3.80 1.57 3.01 -1.06 -4.68 117.46 112.08 2c9i n PHE 69 Ca 0.00 -3.07 -0.14 0.00 1.01 0.00 0.00 57.45 55.25 2c9i n PHE 69 Cb 0.13 -2.11 -0.15 0.00 -0.01 0.00 0.00 39.48 37.34 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 1.20 -0.03 -0.56 4.37 0.00 -1.16 -4.33 121.76 121.25 2c9i s ALA 70 Ca 0.42 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 2c9i s ALA 70 Cb 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2c9i s ALA 70 CO 0.00 -0.08 1.17 0.21 0.00 0.00 0.00 175.76 177.06 2c9i s LYS 71 N 0.71 3.54 -0.11 0.00 2.20 -0.30 -4.39 119.74 121.39 2c9i s LYS 71 Ca -0.06 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.80 2c9i s LYS 71 Cb -0.08 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 2c9i s LYS 71 CO -0.02 -1.62 0.00 0.71 -0.36 0.00 0.00 175.35 174.06 2c9i s TYR 72 N 4.81 3.14 0.59 4.03 1.51 -1.26 -0.55 117.35 129.62 2c9i s TYR 72 Ca 0.43 0.07 -0.16 0.00 -1.01 0.00 0.00 57.07 56.40 2c9i s TYR 72 Cb -0.08 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2c9i s TYR 72 CO 0.26 0.31 1.05 -1.25 -1.11 0.00 0.00 175.55 174.81 2c9i s PRO 73 N -0.43 3.39 0.34 -1.71 0.04 -1.26 -4.96 135.00 130.41 2c9i s PRO 73 Ca 0.08 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.32 2c9i s PRO 73 Cb -0.12 -2.05 0.65 0.00 0.04 0.00 0.00 34.50 33.02 2c9i s PRO 73 CO 0.02 -0.75 1.94 -0.22 0.04 0.00 0.00 177.00 178.04 2c9i h LYS 74 N 0.47 0.85 0.00 4.56 3.11 -1.99 -2.64 116.57 120.93 2c9i h LYS 74 Ca -0.47 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.29 2c9i h LYS 74 Cb 1.22 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 32.25 2c9i h LYS 74 CO 0.58 0.56 -0.16 1.05 -2.81 0.00 0.00 179.45 178.67 2c9i h GLU 75 N 0.87 0.00 -4.89 1.90 9.09 -2.03 -3.41 114.58 116.11 2c9i h GLU 75 Ca 0.34 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 59.09 2c9i h GLU 75 Cb 0.22 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 27.07 2c9i h GLU 75 CO -0.12 0.16 -0.63 0.42 0.05 0.00 0.00 179.01 178.88 2c9i s ILE 76 N -4.03 4.05 0.20 -1.06 1.01 -1.00 -5.03 121.20 115.33 2c9i s ILE 76 Ca -0.02 -0.44 -0.33 0.00 0.00 0.00 0.00 60.65 59.86 2c9i s ILE 76 Cb 0.12 -2.97 -0.13 0.00 0.01 0.00 0.00 42.46 39.49 2c9i s ILE 76 CO 0.60 0.23 1.56 -2.65 0.00 0.00 0.00 174.94 174.69 2c9i n PRO 77 N 4.89 2.26 -3.02 2.79 -0.02 -1.26 -4.61 135.00 136.03 2c9i n PRO 77 Ca -0.16 0.81 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 2c9i n PRO 77 Cb 0.50 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.77 6.35 0.27 2.55 3.68 -1.26 -4.45 116.67 124.59 2c9i s ASP 78 Ca 0.75 -1.61 -0.00 0.00 2.13 0.00 0.00 52.55 53.81 2c9i s ASP 78 Cb -0.63 -2.35 0.48 0.00 -1.45 0.00 0.00 42.92 38.98 2c9i s ASP 78 CO 0.41 -1.13 1.86 0.15 0.13 0.00 0.00 175.17 176.58 2c9i h PHE 79 N 9.06 1.18 0.08 -5.34 3.04 -1.92 -2.33 116.94 120.70 2c9i h PHE 79 Ca -0.14 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.58 2c9i h PHE 79 Cb 1.06 -0.38 0.01 0.00 2.56 0.00 0.00 35.95 39.21 2c9i h PHE 79 CO 0.97 0.53 -1.14 0.74 -2.02 0.00 0.00 178.31 177.40 2c9i h PHE 80 N 1.08 0.74 -0.06 0.41 -1.00 -1.91 -1.39 116.94 114.81 2c9i h PHE 80 Ca 0.47 -0.46 -0.14 0.00 2.81 0.00 0.00 57.97 60.65 2c9i h PHE 80 Cb 0.34 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2c9i h PHE 80 CO -0.00 1.31 -0.60 0.87 -1.61 0.00 0.00 178.31 178.27 2c9i h LYS 81 N 0.21 0.21 -0.52 1.51 1.57 -1.87 -2.55 116.57 115.13 2c9i h LYS 81 Ca -0.14 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2c9i h LYS 81 Cb 1.81 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 2c9i h LYS 81 CO 0.20 0.75 -0.07 1.96 -0.57 0.00 0.00 179.45 181.72 2c9i h GLN 82 N 0.15 0.94 0.00 3.15 4.20 -1.35 -3.29 115.11 118.92 2c9i h GLN 82 Ca -0.01 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2c9i h GLN 82 Cb 1.10 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2c9i h GLN 82 CO 0.09 0.97 -0.41 0.77 -0.67 0.00 0.00 178.83 179.58 2c9i h SER 83 N 0.85 0.00 0.00 1.46 0.02 -1.17 -3.40 113.55 111.31 2c9i h SER 83 Ca 0.14 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2c9i h SER 83 Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2c9i h SER 83 CO 0.04 0.00 -0.13 0.25 -1.14 0.00 0.00 176.83 175.85 2c9i h LEU 84 N 0.00 -0.36 -0.52 5.07 6.46 -1.53 0.34 115.31 124.77 2c9i h LEU 84 Ca 0.00 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 2c9i h LEU 84 Cb 0.99 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 2c9i h LEU 84 CO 0.00 -0.18 0.24 -0.65 -0.62 0.00 0.00 178.44 177.23 2c9i h PRO 85 N -0.21 0.44 0.00 5.25 0.11 -1.80 -1.66 132.00 134.13 2c9i h PRO 85 Ca 0.04 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 2c9i h PRO 85 Cb 0.27 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2c9i h PRO 85 CO -0.12 0.29 -0.26 0.78 -0.21 0.00 0.00 178.00 178.48 2c9i h GLY 86 N 0.46 0.00 0.00 -0.55 0.00 -1.81 -3.43 103.07 97.74 2c9i h GLY 86 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2c9i h GLY 86 CO -0.19 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.96 2c9i n GLY 87 N 0.97 2.24 3.57 4.60 0.00 0.12 -4.64 105.19 112.05 2c9i n GLY 87 Ca 0.02 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 2c9i n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2c9i s PHE 88 N -2.52 0.50 0.01 1.61 -0.12 -0.47 -1.47 117.98 115.52 2c9i s PHE 88 Ca 0.00 -0.85 -0.02 0.00 -0.05 0.00 0.00 56.93 56.02 2c9i s PHE 88 Cb 0.00 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 2c9i s PHE 88 CO 0.00 -1.04 0.01 -1.12 -0.05 0.00 0.00 175.22 173.02 2c9i s SER 89 N -3.06 0.16 0.07 1.98 0.01 -0.38 0.03 113.70 112.51 2c9i s SER 89 Ca 0.24 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2c9i s SER 89 Cb -0.01 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 2c9i s SER 89 CO 0.11 -0.27 -0.13 -1.66 0.41 0.00 0.00 173.24 171.71 2c9i s TRP 90 N -1.23 1.12 0.05 2.43 1.48 -0.69 -1.22 118.94 120.87 2c9i s TRP 90 Ca -0.13 -0.50 0.03 0.00 -1.06 0.00 0.00 56.10 54.43 2c9i s TRP 90 Cb -0.08 -0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 31.58 2c9i s TRP 90 CO -0.00 0.03 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.62 2c9i s GLU 91 N -1.95 0.61 -0.09 3.25 2.02 -0.56 -0.58 118.70 121.40 2c9i s GLU 91 Ca -0.01 -0.76 -0.10 0.00 0.02 0.00 0.00 54.97 54.12 2c9i s GLU 91 Cb -0.09 -0.46 0.02 0.00 0.10 0.00 0.00 34.13 33.71 2c9i s GLU 91 CO 0.02 0.09 0.26 0.50 0.02 0.00 0.00 175.26 176.16 2c9i s ARG 92 N -1.49 0.35 -0.16 1.61 3.52 0.04 -0.27 118.95 122.54 2c9i s ARG 92 Ca -0.07 0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 2c9i s ARG 92 Cb -0.09 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.46 2c9i s ARG 92 CO 0.01 -0.05 -0.13 0.08 -0.81 0.00 0.00 175.30 174.40 2c9i s VAL 93 N -0.05 2.89 -0.28 7.11 1.01 -0.82 -1.25 120.40 129.01 2c9i s VAL 93 Ca -0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2c9i s VAL 93 Cb -0.02 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2c9i s VAL 93 CO 0.01 0.50 0.01 -0.44 0.00 0.00 0.00 175.10 175.18 2c9i s SER 94 N 0.86 4.74 -0.34 3.32 0.01 0.06 -1.91 113.70 120.45 2c9i s SER 94 Ca -0.04 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.29 2c9i s SER 94 Cb -0.15 -1.76 0.04 0.00 0.21 0.00 0.00 66.02 64.35 2c9i s SER 94 CO -0.00 -0.18 0.12 -0.89 0.41 0.00 0.00 173.24 172.70 2c9i s THR 95 N 1.39 3.89 0.35 1.44 2.01 0.06 -1.05 115.64 123.73 2c9i s THR 95 Ca 0.00 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 2c9i s THR 95 Cb -0.17 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.04 2c9i s THR 95 CO -0.01 -0.19 0.81 -0.31 -0.69 0.00 0.00 174.62 174.23 2c9i s TYR 96 N 1.42 3.39 -0.09 4.92 2.02 0.97 -0.78 117.35 129.20 2c9i s TYR 96 Ca -0.01 1.38 0.30 0.00 -0.37 0.00 0.00 57.07 58.36 2c9i s TYR 96 Cb -0.19 -2.66 1.34 0.00 -0.40 0.00 0.00 41.96 40.05 2c9i s TYR 96 CO 0.03 0.06 1.89 1.05 -1.57 0.00 0.00 175.55 177.01 2c9i h GLU 97 N 2.28 0.00 -0.25 -0.62 4.11 -1.73 -2.30 114.58 116.07 2c9i h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2c9i h GLU 97 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2c9i h GLU 97 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2c9i n ASP 98 N -2.64 3.31 0.00 3.06 3.85 -1.26 -4.97 116.55 117.89 2c9i n ASP 98 Ca 0.00 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 2c9i n ASP 98 Cb 0.21 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 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 1.45 1.60 3.75 6.12 0.00 -0.87 -4.60 105.19 112.65 2c9i n GLY 99 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.39 2.16 -0.10 -0.02 0.00 -1.17 -4.58 107.32 102.22 2c9i s GLY 100 Ca 0.00 1.52 -0.00 0.00 0.00 0.00 0.00 44.72 46.24 2c9i s GLY 100 CO 0.00 2.49 -0.07 0.14 0.00 0.00 0.00 173.10 175.66 2c9i s VAL 101 N -0.01 0.95 -0.22 1.40 1.01 -0.61 -0.02 120.40 122.90 2c9i s VAL 101 Ca 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2c9i s VAL 101 Cb -0.46 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 34.96 2c9i s VAL 101 CO 0.47 0.35 -0.11 -0.22 0.00 0.00 0.00 175.10 175.59 2c9i s LEU 102 N 1.62 2.83 -0.11 3.92 1.98 -0.22 -1.39 118.68 127.32 2c9i s LEU 102 Ca 0.03 -0.79 -0.05 0.00 -2.89 0.00 0.00 54.13 50.43 2c9i s LEU 102 Cb -0.13 -1.60 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 2c9i s LEU 102 CO -0.07 -0.08 0.06 -0.44 -1.89 0.00 0.00 176.35 173.94 2c9i s SER 103 N 1.31 5.74 -0.03 3.68 0.01 0.19 -0.76 113.70 123.84 2c9i s SER 103 Ca 0.01 0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 2c9i s SER 103 Cb -0.15 -1.77 0.01 0.00 0.21 0.00 0.00 66.02 64.31 2c9i s SER 103 CO -0.07 0.37 0.08 0.00 0.41 0.00 0.00 173.24 174.02 2c9i s ALA 104 N -0.78 -0.19 0.04 1.44 0.00 -0.38 -0.38 121.76 121.52 2c9i s ALA 104 Ca 0.13 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.30 2c9i s ALA 104 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2c9i s ALA 104 CO 0.03 -0.06 -0.17 -0.08 0.00 0.00 0.00 175.76 175.48 2c9i s THR 105 N -0.14 1.38 -0.06 0.00 -1.32 -0.35 -0.78 115.64 114.38 2c9i s THR 105 Ca -0.02 -1.11 -0.10 0.00 -1.21 0.00 0.00 61.69 59.26 2c9i s THR 105 Cb -0.02 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.77 2c9i s THR 105 CO 0.00 0.09 0.24 -1.58 -2.21 0.00 0.00 174.62 171.16 2c9i s GLN 106 N -1.19 0.42 -0.07 7.08 -0.44 0.26 -0.46 119.66 125.26 2c9i s GLN 106 Ca 0.04 0.08 0.06 0.00 -2.50 0.00 0.00 55.36 53.04 2c9i s GLN 106 Cb -0.08 0.19 -0.01 0.00 -1.64 0.00 0.00 33.01 31.47 2c9i s GLN 106 CO 0.02 -0.08 -0.25 -2.00 0.50 0.00 0.00 175.29 173.48 2c9i s GLU 107 N -0.50 2.66 -0.12 1.67 2.12 -0.50 -1.71 118.70 122.33 2c9i s GLU 107 Ca -0.06 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.40 2c9i s GLU 107 Cb -0.04 -2.20 0.01 0.00 0.26 0.00 0.00 34.13 32.16 2c9i s GLU 107 CO 0.01 0.34 -0.22 0.99 -0.54 0.00 0.00 175.26 175.84 2c9i s THR 108 N -0.06 1.99 0.13 -1.70 2.01 0.10 -1.77 115.64 116.35 2c9i s THR 108 Ca -0.07 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 2c9i s THR 108 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 2c9i s THR 108 CO 0.05 0.54 0.03 -0.94 -0.69 0.00 0.00 174.62 173.61 2c9i s SER 109 N 0.59 0.53 -0.07 3.53 1.04 -0.89 -1.37 113.70 117.06 2c9i s SER 109 Ca -0.13 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.17 2c9i s SER 109 Cb -0.17 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 2c9i s SER 109 CO 0.04 -0.68 -0.22 -0.22 0.98 0.00 0.00 173.24 173.14 2c9i s LEU 110 N -3.06 2.00 -0.33 2.42 2.96 -1.26 -1.19 118.68 120.22 2c9i s LEU 110 Ca 0.22 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2c9i s LEU 110 Cb 0.07 -1.24 0.11 0.00 0.50 0.00 0.00 46.19 45.64 2c9i s LEU 110 CO 0.00 0.18 0.15 -1.10 -1.32 0.00 0.00 176.35 174.26 2c9i s GLN 111 N 0.12 0.66 6.44 1.98 -0.21 -0.85 -5.02 119.66 122.78 2c9i s GLN 111 Ca -0.10 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.14 2c9i s GLN 111 Cb -0.15 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.12 2c9i s GLN 111 CO 0.05 -1.06 0.00 0.41 -2.12 0.00 0.00 175.29 172.57 2c9i n GLY 112 N 4.60 1.83 0.61 3.09 0.00 -1.26 -2.47 105.19 111.59 2c9i n GLY 112 Ca 0.01 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 10.04 2.58 -4.47 1.61 5.75 -1.26 -4.97 116.55 125.84 2c9i n ASP 113 Ca 0.00 -1.79 -0.39 0.00 -0.01 0.00 0.00 54.79 52.60 2c9i n ASP 113 Cb 0.00 -0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 39.83 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 1.65 4.64 -0.19 0.00 1.01 0.40 -2.00 121.20 126.71 2c9i s ILE 115 Ca 0.05 0.94 -0.10 0.00 0.00 0.00 0.00 60.65 61.54 2c9i s ILE 115 Cb -0.17 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2c9i s ILE 115 CO 0.08 -0.54 0.13 0.27 0.00 0.00 0.00 174.94 174.87 2c9i s ILE 116 N 3.32 5.39 -0.10 2.92 -5.25 -0.33 -1.05 121.20 126.09 2c9i s ILE 116 Ca 0.34 0.18 0.03 0.00 -0.99 0.00 0.00 60.65 60.21 2c9i s ILE 116 Cb -0.12 -3.45 0.01 0.00 2.95 0.00 0.00 42.46 41.85 2c9i s ILE 116 CO 0.19 0.46 -0.18 0.00 -1.79 0.00 0.00 174.94 173.62 2c9i s LYS 118 N 0.72 2.22 -0.06 0.00 1.02 -0.73 -0.92 119.74 121.99 2c9i s LYS 118 Ca -0.12 -1.13 0.03 0.00 0.02 0.00 0.00 55.97 54.77 2c9i s LYS 118 Cb -0.16 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 2c9i s LYS 118 CO 0.02 -0.50 -0.13 0.08 -0.92 0.00 0.00 175.35 173.90 2c9i s VAL 119 N 1.22 3.15 -0.04 3.17 1.01 0.18 -1.41 120.40 127.68 2c9i s VAL 119 Ca -0.05 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2c9i s VAL 119 Cb -0.18 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2c9i s VAL 119 CO -0.07 0.59 -0.21 -0.54 0.00 0.00 0.00 175.10 174.87 2c9i s LYS 120 N -0.69 2.05 -0.03 2.72 1.02 0.39 -2.14 119.74 123.07 2c9i s LYS 120 Ca 0.11 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.37 2c9i s LYS 120 Cb -0.11 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2c9i s LYS 120 CO 0.01 0.34 -0.11 0.08 -0.92 0.00 0.00 175.35 174.76 2c9i s VAL 121 N -0.16 0.90 -0.16 3.17 1.01 -0.60 -1.21 120.40 123.35 2c9i s VAL 121 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2c9i s VAL 121 Cb -0.12 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.54 2c9i s VAL 121 CO 0.02 0.27 0.11 -0.22 0.00 0.00 0.00 175.10 175.28 2c9i s LEU 122 N 0.09 0.23 -0.06 3.92 0.20 0.49 -2.03 118.68 121.52 2c9i s LEU 122 Ca -0.02 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.41 2c9i s LEU 122 Cb -0.08 -0.11 -0.01 0.00 -0.43 0.00 0.00 46.19 45.56 2c9i s LEU 122 CO 0.01 -0.33 -0.21 -0.83 -0.29 0.00 0.00 176.35 174.69 2c9i s GLY 123 N 2.18 1.38 0.19 7.98 0.00 0.56 -0.64 107.32 118.97 2c9i s GLY 123 Ca 0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 2c9i s GLY 123 CO -0.09 -0.62 0.17 -0.51 0.00 0.00 0.00 173.10 172.05 2c9i s THR 124 N -0.23 0.02 -1.32 0.90 -4.23 -0.48 -1.60 115.64 108.70 2c9i s THR 124 Ca -0.01 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 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 -0.09 0.00 0.59 -0.54 0.00 0.00 174.62 174.62 2c9i n ASN 125 N -0.26 -4.97 -4.70 3.99 4.13 -1.26 -1.58 115.26 110.61 2c9i n ASN 125 Ca -0.00 0.31 -0.42 0.00 1.68 0.00 0.00 54.58 56.15 2c9i n ASN 125 Cb 0.65 -3.57 -0.03 0.00 -1.54 0.00 0.00 39.78 35.29 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 -2.30 3.29 0.05 3.10 0.40 -1.26 -3.03 117.98 118.23 2c9i s PHE 126 Ca 0.00 1.19 -0.34 0.00 -0.60 0.00 0.00 56.93 57.18 2c9i s PHE 126 Cb 0.00 -3.48 -0.13 0.00 0.51 0.00 0.00 43.02 39.92 2c9i s PHE 126 CO 0.00 -1.53 1.70 -2.30 0.70 0.00 0.00 175.22 173.78 2c9i n PRO 127 N 4.38 2.12 -0.11 0.24 -0.02 -1.26 -4.84 135.00 135.51 2c9i n PRO 127 Ca 0.10 0.77 0.24 0.00 -2.02 0.00 0.00 63.50 62.59 2c9i n PRO 127 Cb 0.46 -2.57 0.68 0.00 -0.02 0.00 0.00 33.50 32.05 2c9i n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9i h ALA 128 N 7.28 2.61 -0.18 3.55 0.00 -1.98 -0.70 119.26 129.84 2c9i h ALA 128 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2c9i h ALA 128 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2c9i h ALA 128 CO 0.91 -0.82 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2c9i n ASN 129 N -4.34 3.31 -4.86 0.00 5.03 -1.26 -4.58 115.26 108.55 2c9i n ASN 129 Ca 0.15 -2.95 -0.28 0.00 0.87 0.00 0.00 54.58 52.36 2c9i n ASN 129 Cb 0.77 -0.48 0.09 0.00 -1.02 0.00 0.00 39.78 39.14 2c9i n ASN 129 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2c9i s GLY 130 N -2.14 1.62 0.49 7.41 0.00 -0.27 -4.87 107.32 109.57 2c9i s GLY 130 Ca 0.37 -0.75 0.15 0.00 0.00 0.00 0.00 44.72 44.49 2c9i s GLY 130 CO 0.07 -0.26 2.10 -0.56 0.00 0.00 0.00 173.10 174.45 2c9i h PRO 131 N -0.98 0.01 0.29 2.90 0.13 -1.94 -1.77 132.00 130.64 2c9i h PRO 131 Ca -0.45 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2c9i h PRO 131 Cb 1.32 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2c9i h PRO 131 CO 0.63 0.06 -0.14 0.28 -0.23 0.00 0.00 178.00 178.61 2c9i h VAL 132 N 0.01 0.69 0.00 1.56 2.07 -1.93 0.16 116.25 118.81 2c9i h VAL 132 Ca 0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2c9i h VAL 132 Cb 0.10 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2c9i h VAL 132 CO 0.01 0.13 0.00 0.24 0.02 0.00 0.00 177.57 177.97 2c9i h MET 133 N -0.79 0.00 -0.41 1.57 2.86 -1.75 -0.07 114.93 116.34 2c9i h MET 133 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2c9i h MET 133 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2c9i h MET 133 CO 0.07 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.08 2c9i n GLN 134 N -3.00 2.53 -3.61 1.72 1.13 -0.68 -4.66 117.38 110.81 2c9i n GLN 134 Ca 0.02 -2.32 -0.26 0.00 -1.94 0.00 0.00 57.00 52.49 2c9i n GLN 134 Cb 0.35 -1.52 0.04 0.00 0.11 0.00 0.00 30.24 29.23 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 1.51 -2.08 -0.92 -1.09 5.02 -0.70 -4.93 118.16 114.97 2c9i n LYS 135 Ca 0.20 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2c9i n LYS 135 Cb 0.61 -4.65 0.17 0.00 -0.02 0.00 0.00 35.03 31.13 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 -4.01 1.93 -4.04 1.97 5.02 0.46 -5.00 118.16 114.49 2c9i n LYS 136 Ca -0.13 -3.44 -0.29 0.00 -2.02 0.00 0.00 58.31 52.44 2c9i n LYS 136 Cb 0.61 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.40 4.68 -0.14 -0.18 -4.23 -1.26 -0.90 115.64 110.20 2c9i s THR 137 Ca 0.40 -0.83 0.17 0.00 -1.18 0.00 0.00 61.69 60.25 2c9i s THR 137 Cb 0.38 -3.32 0.43 0.00 1.34 0.00 0.00 72.50 71.33 2c9i s THR 137 CO -0.05 0.03 1.20 0.00 -0.54 0.00 0.00 174.62 175.25 2c9i n GLY 139 N -0.50 0.70 3.85 0.00 0.00 -1.26 -4.79 105.19 103.18 2c9i n GLY 139 Ca 0.15 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.79 3.49 0.79 1.61 0.52 -1.26 -1.03 118.94 120.27 2c9i s TRP 140 Ca 0.00 1.16 -0.11 0.00 0.02 0.00 0.00 56.10 57.17 2c9i s TRP 140 Cb 0.00 -2.47 0.06 0.00 -1.15 0.00 0.00 33.47 29.91 2c9i s TRP 140 CO 0.00 0.24 1.09 -1.21 0.02 0.00 0.00 176.95 177.09 2c9i s GLU 141 N -2.54 2.15 0.72 4.98 0.41 -0.45 -4.82 118.70 119.15 2c9i s GLU 141 Ca 0.47 0.76 -0.14 0.00 -0.41 0.00 0.00 54.97 55.65 2c9i s GLU 141 Cb -0.13 -1.92 0.03 0.00 -1.78 0.00 0.00 34.13 30.34 2c9i s GLU 141 CO 0.19 -1.61 1.16 -1.25 -0.49 0.00 0.00 175.26 173.27 2c9i s PRO 142 N -5.09 2.32 0.22 0.39 0.04 -1.26 -4.72 135.00 126.89 2c9i s PRO 142 Ca 0.61 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 63.15 2c9i s PRO 142 Cb -0.15 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2c9i s PRO 142 CO 0.55 -1.66 0.30 -1.54 0.04 0.00 0.00 177.00 174.69 2c9i s SER 143 N -2.36 0.03 -0.17 6.66 1.04 -0.86 -4.83 113.70 113.21 2c9i s SER 143 Ca 0.70 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 56.02 2c9i s SER 143 Cb -0.25 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.36 2c9i s SER 143 CO 0.45 -0.98 -0.19 -0.89 0.98 0.00 0.00 173.24 172.62 2c9i s THR 144 N -4.07 2.24 -0.04 2.02 2.01 -1.26 -1.03 115.64 115.50 2c9i s THR 144 Ca 0.29 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 2c9i s THR 144 Cb 0.03 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2c9i s THR 144 CO 0.09 0.53 0.15 -0.70 -0.69 0.00 0.00 174.62 174.00 2c9i s GLU 145 N 1.10 3.36 -0.27 4.92 2.12 0.46 -4.62 118.70 125.76 2c9i s GLU 145 Ca 0.00 -0.30 -0.11 0.00 0.36 0.00 0.00 54.97 54.92 2c9i s GLU 145 Cb -0.14 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 2c9i s GLU 145 CO -0.07 0.70 0.19 0.99 -0.54 0.00 0.00 175.26 176.53 2c9i s THR 146 N -1.20 5.31 -0.38 -1.70 2.01 0.12 -0.98 115.64 118.82 2c9i s THR 146 Ca 0.23 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.26 2c9i s THR 146 Cb -0.12 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.86 2c9i s THR 146 CO 0.13 0.26 0.34 -0.69 -0.69 0.00 0.00 174.62 173.97 2c9i s VAL 147 N 1.67 5.20 -0.17 3.82 1.01 0.46 -1.82 120.40 130.57 2c9i s VAL 147 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2c9i s VAL 147 Cb -0.16 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2c9i s VAL 147 CO 0.10 -0.23 -0.13 -0.63 0.00 0.00 0.00 175.10 174.21 2c9i s ILE 148 N 1.88 2.87 0.20 2.22 1.01 0.30 -2.31 121.20 127.37 2c9i s ILE 148 Ca 0.09 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2c9i s ILE 148 Cb -0.18 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 2c9i s ILE 148 CO 0.11 0.50 1.21 -2.16 0.00 0.00 0.00 174.94 174.60 2c9i s PRO 149 N 0.89 4.49 -0.29 2.79 0.04 -1.26 0.03 135.00 141.68 2c9i s PRO 149 Ca -0.03 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 2c9i s PRO 149 Cb -0.15 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.29 2c9i s PRO 149 CO -0.01 -0.09 0.62 0.50 0.04 0.00 0.00 177.00 178.06 2c9i s ARG 150 N -0.37 0.54 -0.04 4.56 3.52 -0.59 -4.86 118.95 121.72 2c9i s ARG 150 Ca 0.52 1.40 -0.03 0.00 -0.13 0.00 0.00 55.73 57.49 2c9i s ARG 150 Cb -0.33 0.80 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2c9i s ARG 150 CO 0.38 -0.21 0.06 -0.40 -0.81 0.00 0.00 175.30 174.32 2c9i n ASP 151 N 5.44 -0.47 0.00 -2.12 5.75 -1.26 -1.86 116.55 122.03 2c9i n ASP 151 Ca -0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2c9i n ASP 151 Cb 0.49 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2c9i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c9i n GLY 152 N -0.05 2.76 0.00 6.12 0.00 -1.26 -4.89 105.19 107.87 2c9i n GLY 152 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.46 3.16 -0.02 0.00 -0.78 -4.74 105.19 106.28 2c9i n GLY 153 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 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 2.19 -0.15 0.99 1.02 -1.03 -1.54 118.68 120.16 2c9i s LEU 154 Ca 0.00 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.67 2c9i s LEU 154 Cb 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 46.19 45.59 2c9i s LEU 154 CO 0.00 0.03 -0.20 -0.22 0.02 0.00 0.00 176.35 175.98 2c9i s LEU 155 N -1.27 2.19 -0.13 1.79 2.96 0.10 -0.97 118.68 123.35 2c9i s LEU 155 Ca 0.02 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2c9i s LEU 155 Cb -0.08 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2c9i s LEU 155 CO 0.02 0.06 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.19 2c9i s LEU 156 N 0.96 2.59 -0.03 -0.68 1.02 0.17 -0.54 118.68 122.17 2c9i s LEU 156 Ca -0.03 -0.38 0.05 0.00 0.02 0.00 0.00 54.13 53.78 2c9i s LEU 156 Cb -0.15 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.48 2c9i s LEU 156 CO -0.05 0.15 -0.18 -0.13 0.02 0.00 0.00 176.35 176.17 2c9i s ARG 157 N 0.41 1.71 0.08 1.70 0.52 -0.76 -0.20 118.95 122.42 2c9i s ARG 157 Ca -0.11 -0.64 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 2c9i s ARG 157 Cb -0.16 -1.54 0.01 0.00 0.52 0.00 0.00 34.95 33.77 2c9i s ARG 157 CO 0.06 0.31 0.22 0.34 0.02 0.00 0.00 175.30 176.25 2c9i s ASP 158 N -0.15 0.04 -0.56 0.23 2.15 -0.88 -0.70 116.67 116.80 2c9i s ASP 158 Ca 0.00 -0.52 0.06 0.00 0.43 0.00 0.00 52.55 52.53 2c9i s ASP 158 Cb -0.10 0.35 0.24 0.00 -0.30 0.00 0.00 42.92 43.11 2c9i s ASP 158 CO 0.01 -0.70 0.63 1.07 -0.17 0.00 0.00 175.17 176.02 2c9i n THR 159 N 0.12 1.16 -2.22 1.71 5.66 -1.26 -1.10 114.28 118.36 2c9i n THR 159 Ca -0.16 -4.72 -0.37 0.00 -3.05 0.00 0.00 64.05 55.75 2c9i n THR 159 Cb 0.62 -2.04 -0.00 0.00 -1.55 0.00 0.00 70.33 67.35 2c9i n THR 159 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2c9i s PRO 160 N -1.86 3.60 -0.16 1.09 0.04 -1.15 -4.79 135.00 131.77 2c9i s PRO 160 Ca 0.37 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2c9i s PRO 160 Cb 0.13 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2c9i s PRO 160 CO -0.07 -0.68 -0.09 0.00 0.04 0.00 0.00 177.00 176.20 2c9i s ALA 161 N -1.58 2.74 -0.25 8.56 0.00 -1.26 -1.91 121.76 128.06 2c9i s ALA 161 Ca 0.67 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2c9i s ALA 161 Cb -0.28 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 2c9i s ALA 161 CO 0.34 0.02 0.22 -1.17 0.00 0.00 0.00 175.76 175.17 2c9i s LEU 162 N 0.72 4.07 0.37 0.00 2.96 0.81 -1.34 118.68 126.26 2c9i s LEU 162 Ca -0.04 0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.72 2c9i s LEU 162 Cb -0.15 -2.18 -0.09 0.00 0.50 0.00 0.00 46.19 44.27 2c9i s LEU 162 CO 0.02 -0.02 1.22 -0.04 -1.32 0.00 0.00 176.35 176.21 2c9i s MET 163 N 1.45 4.18 0.23 1.98 -1.94 -0.19 -0.13 119.30 124.88 2c9i s MET 163 Ca 0.09 1.99 0.11 0.00 -1.71 0.00 0.00 55.69 56.17 2c9i s MET 163 Cb -0.15 -2.85 -0.05 0.00 2.01 0.00 0.00 34.83 33.79 2c9i s MET 163 CO 0.08 -0.26 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.16 2c9i s LEU 164 N -2.18 2.71 0.44 -0.03 1.43 -0.54 -0.26 118.68 120.25 2c9i s LEU 164 Ca 0.53 -0.83 0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2c9i s LEU 164 Cb -0.35 -1.33 0.96 0.00 0.03 0.00 0.00 46.19 45.51 2c9i s LEU 164 CO 0.45 0.07 2.00 0.00 0.23 0.00 0.00 176.35 179.10 2c9i h ALA 165 N 2.61 1.69 0.00 4.21 0.00 -1.34 -1.64 119.26 124.80 2c9i h ALA 165 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2c9i h ALA 165 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2c9i h ALA 165 CO 0.55 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 2c9i n ASP 166 N -4.36 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 111.75 2c9i n ASP 166 Ca -0.01 -0.49 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 2c9i n ASP 166 Cb 0.21 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 0.53 0.60 0.00 6.12 0.00 -0.61 -5.06 105.19 106.77 2c9i n GLY 167 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2c9i n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 168 N -2.00 0.90 3.08 -0.02 0.00 -1.26 -4.83 105.19 101.06 2c9i n GLY 168 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 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 1.01 0.86 -0.22 1.61 3.76 -1.26 -1.47 115.29 119.57 2c9i s HIS 169 Ca 0.00 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2c9i s HIS 169 Cb 0.00 -0.51 0.04 0.00 1.11 0.00 0.00 32.58 33.21 2c9i s HIS 169 CO 0.00 -0.02 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.56 2c9i s LEU 170 N -1.12 2.79 0.12 0.89 2.96 0.81 -4.93 118.68 120.20 2c9i s LEU 170 Ca -0.03 -0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 52.91 2c9i s LEU 170 Cb -0.08 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2c9i s LEU 170 CO 0.01 -0.09 0.30 -0.94 -1.32 0.00 0.00 176.35 174.31 2c9i s SER 171 N 1.23 6.40 0.08 3.68 1.04 -1.26 -0.14 113.70 124.73 2c9i s SER 171 Ca -0.01 0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.82 2c9i s SER 171 Cb -0.16 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 2c9i s SER 171 CO -0.09 0.08 -0.06 0.00 0.98 0.00 0.00 173.24 174.16 2c9i s PHE 173 N -3.21 3.50 -0.11 0.00 2.99 0.04 -2.93 117.98 118.26 2c9i s PHE 173 Ca 0.06 0.43 0.02 0.00 0.00 0.00 0.00 56.93 57.44 2c9i s PHE 173 Cb 0.03 -2.07 -0.01 0.00 0.00 0.00 0.00 43.02 40.97 2c9i s PHE 173 CO -0.05 0.49 -0.18 -1.64 -0.00 0.00 0.00 175.22 173.85 2c9i s MET 174 N -0.28 3.21 -0.23 0.44 -1.94 -0.26 -0.76 119.30 119.49 2c9i s MET 174 Ca 0.11 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2c9i s MET 174 Cb -0.12 -2.48 0.06 0.00 2.01 0.00 0.00 34.83 34.30 2c9i s MET 174 CO 0.01 0.21 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.96 2c9i s GLU 175 N 0.31 1.69 -0.11 2.03 2.02 -0.80 -2.08 118.70 121.75 2c9i s GLU 175 Ca -0.14 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 53.93 2c9i s GLU 175 Cb -0.17 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2c9i s GLU 175 CO 0.07 -0.56 -0.20 0.99 0.02 0.00 0.00 175.26 175.57 2c9i s THR 176 N 1.40 2.41 -0.05 3.63 2.01 0.72 -1.94 115.64 123.81 2c9i s THR 176 Ca -0.05 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2c9i s THR 176 Cb -0.18 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2c9i s THR 176 CO -0.06 0.55 -0.03 0.42 -0.69 0.00 0.00 174.62 174.81 2c9i s THR 177 N 0.34 4.03 -0.02 -0.82 -4.23 0.63 0.43 115.64 115.99 2c9i s THR 177 Ca -0.16 -0.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.97 2c9i s THR 177 Cb -0.17 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2c9i s THR 177 CO 0.08 0.54 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.16 2c9i s TYR 178 N -0.91 2.00 -0.09 3.99 1.51 -0.15 -1.50 117.35 122.19 2c9i s TYR 178 Ca 0.15 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2c9i s TYR 178 Cb -0.11 -1.29 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2c9i s TYR 178 CO 0.04 -0.06 0.18 0.21 -1.11 0.00 0.00 175.55 174.81 2c9i s LYS 179 N -0.46 0.06 0.16 -0.62 2.20 -0.36 -2.47 119.74 118.24 2c9i s LYS 179 Ca 0.07 0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 56.15 2c9i s LYS 179 Cb -0.09 -0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 35.94 2c9i s LYS 179 CO -0.00 -0.30 0.52 -1.54 -0.36 0.00 0.00 175.35 173.67 2c9i s SER 180 N 2.27 6.73 0.26 1.43 1.04 -1.26 -1.25 113.70 122.91 2c9i s SER 180 Ca 0.02 0.97 -0.02 0.00 0.48 0.00 0.00 55.95 57.40 2c9i s SER 180 Cb -0.12 -2.25 0.33 0.00 0.10 0.00 0.00 66.02 64.09 2c9i s SER 180 CO -0.06 0.07 1.77 0.11 0.98 0.00 0.00 173.24 176.10 2c9i h LYS 181 N 3.30 0.82 -6.33 4.02 6.56 -1.52 -3.45 116.57 119.97 2c9i h LYS 181 Ca -0.48 -0.21 -0.60 0.00 -1.06 0.00 0.00 60.65 58.30 2c9i h LYS 181 Cb 1.19 -0.10 -0.12 0.00 -0.57 0.00 0.00 32.23 32.62 2c9i h LYS 181 CO 0.67 0.80 -0.69 0.15 -2.06 0.00 0.00 179.45 178.33 2c9i s LYS 182 N -5.04 2.17 0.18 3.15 1.02 -1.26 -5.07 119.74 114.89 2c9i s LYS 182 Ca -0.10 -1.32 -0.31 0.00 0.02 0.00 0.00 55.97 54.27 2c9i s LYS 182 Cb 0.15 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 2c9i s LYS 182 CO 0.81 0.41 1.37 -2.00 -0.92 0.00 0.00 175.35 175.02 2c9i s GLU 183 N -3.18 4.34 0.12 1.68 2.56 -1.26 -4.99 118.70 117.97 2c9i s GLU 183 Ca 0.28 2.12 0.05 0.00 0.00 0.00 0.00 54.97 57.41 2c9i s GLU 183 Cb -0.08 -3.20 -0.04 0.00 2.00 0.00 0.00 34.13 32.82 2c9i s GLU 183 CO 0.17 -0.36 -0.13 0.08 -0.56 0.00 0.00 175.26 174.47 2c9i s VAL 184 N 0.50 1.20 -0.45 3.70 1.01 -1.26 -5.07 120.40 120.03 2c9i s VAL 184 Ca 0.61 -1.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 2c9i s VAL 184 Cb -0.38 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.54 2c9i s VAL 184 CO 0.36 -0.48 1.11 -0.75 0.00 0.00 0.00 175.10 175.34 2c9i s LYS 185 N -2.76 3.76 0.31 2.72 2.36 -1.26 -5.02 119.74 119.85 2c9i s LYS 185 Ca 0.08 0.61 -0.28 0.00 -2.55 0.00 0.00 55.97 53.83 2c9i s LYS 185 Cb -0.04 -3.88 -0.09 0.00 -1.05 0.00 0.00 37.83 32.76 2c9i s LYS 185 CO 0.02 -1.30 1.10 -0.51 1.55 0.00 0.00 175.35 176.21 2c9i s LEU 186 N 4.28 4.45 0.75 5.43 1.02 -1.26 -4.68 118.68 128.67 2c9i s LEU 186 Ca 0.47 2.25 -0.10 0.00 0.02 0.00 0.00 54.13 56.77 2c9i s LEU 186 Cb -0.08 -3.75 0.06 0.00 0.02 0.00 0.00 46.19 42.44 2c9i s LEU 186 CO 0.29 -0.25 1.10 -2.16 0.02 0.00 0.00 176.35 175.34 2c9i s PRO 187 N -1.70 2.23 0.73 1.29 0.04 -1.26 -4.88 135.00 131.45 2c9i s PRO 187 Ca 0.48 0.04 -0.09 0.00 0.04 0.00 0.00 61.00 61.47 2c9i s PRO 187 Cb -0.30 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.24 2c9i s PRO 187 CO 0.39 -1.34 1.06 -1.21 0.04 0.00 0.00 177.00 175.94 2c9i s GLU 188 N -5.40 2.26 0.22 4.56 2.02 -1.26 -4.53 118.70 116.57 2c9i s GLU 188 Ca 0.60 -0.05 -0.32 0.00 0.02 0.00 0.00 54.97 55.23 2c9i s GLU 188 Cb -0.11 -2.10 -0.12 0.00 0.10 0.00 0.00 34.13 31.90 2c9i s GLU 188 CO 0.48 -1.28 1.62 -0.11 0.02 0.00 0.00 175.26 175.99 2c9i n LEU 189 N -3.02 3.80 0.00 1.80 0.00 -1.26 -4.84 117.00 113.47 2c9i n LEU 189 Ca 0.08 1.10 -0.01 0.00 0.00 0.00 0.00 56.01 57.17 2c9i n LEU 189 Cb 0.60 -1.53 -0.00 0.00 0.00 0.00 0.00 43.42 42.49 2c9i n LEU 189 CO 0.54 -0.01 0.03 0.00 0.00 0.00 0.00 177.39 177.96 2c9i n HIS 190 N 3.11 -0.82 -4.24 1.96 1.44 -0.98 -4.94 115.22 110.75 2c9i n HIS 190 Ca 0.14 -0.18 -0.21 0.00 -2.01 0.00 0.00 57.72 55.46 2c9i n HIS 190 Cb 0.34 0.06 -0.12 0.00 0.12 0.00 0.00 29.99 30.39 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 -6.69 1.48 -0.14 -1.40 0.08 -0.41 -0.40 117.98 110.50 2c9i s PHE 191 Ca 0.02 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 2c9i s PHE 191 Cb -0.00 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 2c9i s PHE 191 CO 0.01 0.12 -0.02 -1.01 -0.10 0.00 0.00 175.22 174.23 2c9i s HIS 192 N -1.20 3.07 -0.35 0.36 3.76 -0.15 -1.33 115.29 119.45 2c9i s HIS 192 Ca 0.02 -0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 54.70 2c9i s HIS 192 Cb -0.10 -1.93 0.04 0.00 1.11 0.00 0.00 32.58 31.69 2c9i s HIS 192 CO 0.03 0.09 0.13 -1.01 -0.85 0.00 0.00 174.74 173.13 2c9i s HIS 193 N 0.10 3.25 0.05 1.40 0.09 0.43 -0.40 115.29 120.21 2c9i s HIS 193 Ca 0.00 -1.30 0.04 0.00 -0.00 0.00 0.00 55.06 53.80 2c9i s HIS 193 Cb -0.13 -2.32 -0.04 0.00 -0.00 0.00 0.00 32.58 30.09 2c9i s HIS 193 CO 0.02 -0.71 -0.03 -0.51 -0.00 0.00 0.00 174.74 173.52 2c9i s LEU 194 N 1.44 3.34 -0.14 0.89 2.01 -0.19 -1.63 118.68 124.40 2c9i s LEU 194 Ca -0.01 -0.16 -0.04 0.00 0.01 0.00 0.00 54.13 53.93 2c9i s LEU 194 Cb -0.19 -2.02 0.05 0.00 0.01 0.00 0.00 46.19 44.04 2c9i s LEU 194 CO 0.04 0.22 0.09 -0.60 1.01 0.00 0.00 176.35 177.11 2c9i s ARG 195 N -1.92 0.03 -0.18 1.70 3.52 -0.60 -2.02 118.95 119.48 2c9i s ARG 195 Ca 0.22 0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.86 2c9i s ARG 195 Cb -0.11 -1.45 -0.00 0.00 -1.56 0.00 0.00 34.95 31.82 2c9i s ARG 195 CO 0.13 -0.58 -0.12 1.41 -0.81 0.00 0.00 175.30 175.34 2c9i s MET 196 N 2.15 3.24 -0.01 5.12 -2.45 -1.26 -1.83 119.30 124.26 2c9i s MET 196 Ca 0.03 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 53.77 2c9i s MET 196 Cb -0.15 -2.75 -0.00 0.00 1.25 0.00 0.00 34.83 33.18 2c9i s MET 196 CO -0.07 -0.09 -0.07 -1.21 1.05 0.00 0.00 175.02 174.63 2c9i s GLU 197 N 1.10 0.55 -0.47 4.11 2.02 0.18 -4.55 118.70 121.64 2c9i s GLU 197 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 54.97 54.50 2c9i s GLU 197 Cb -0.14 -0.54 0.03 0.00 0.10 0.00 0.00 34.13 33.58 2c9i s GLU 197 CO -0.03 0.14 0.91 0.15 0.02 0.00 0.00 175.26 176.45 2c9i s LYS 198 N -0.14 3.48 0.03 1.61 1.02 -1.26 -0.65 119.74 123.84 2c9i s LYS 198 Ca 0.02 0.06 -0.12 0.00 0.02 0.00 0.00 55.97 55.95 2c9i s LYS 198 Cb -0.03 -3.95 -0.33 0.00 -0.52 0.00 0.00 37.83 33.00 2c9i s LYS 198 CO -0.00 -1.25 1.00 -0.07 -0.92 0.00 0.00 175.35 174.11 2c9i h LEU 199 N 10.57 0.72 -7.66 3.17 3.38 -0.80 -3.47 115.31 121.23 2c9i h LEU 199 Ca -0.24 -0.80 -0.21 0.00 0.09 0.00 0.00 57.88 56.72 2c9i h LEU 199 Cb 1.08 -0.23 -0.27 0.00 0.09 0.00 0.00 40.66 41.32 2c9i h LEU 199 CO 1.03 1.63 -0.64 0.20 0.09 0.00 0.00 178.44 180.75 2c9i s ASN 200 N -7.44 -0.07 -0.11 -0.43 0.01 -1.14 -4.97 114.94 100.78 2c9i s ASN 200 Ca -0.08 0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.20 2c9i s ASN 200 Cb 0.05 0.14 0.02 0.00 0.41 0.00 0.00 41.25 41.87 2c9i s ASN 200 CO 0.92 -0.03 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.74 2c9i s ILE 201 N 0.01 1.23 0.64 0.60 1.01 -1.26 -0.59 121.20 122.84 2c9i s ILE 201 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 2c9i s ILE 201 Cb -0.01 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 2c9i s ILE 201 CO 0.00 0.40 1.19 -0.94 0.00 0.00 0.00 174.94 175.59 2c9i s SER 202 N 1.37 4.91 0.47 3.58 1.04 0.31 -4.93 113.70 120.45 2c9i s SER 202 Ca -0.00 2.32 0.18 0.00 0.48 0.00 0.00 55.95 58.92 2c9i s SER 202 Cb -0.14 -2.59 1.15 0.00 0.10 0.00 0.00 66.02 64.54 2c9i s SER 202 CO -0.06 -1.78 2.03 -0.78 0.98 0.00 0.00 173.24 173.64 2c9i h ASP 203 N 0.44 0.00 -0.60 7.02 3.58 -2.01 -2.30 116.42 122.55 2c9i h ASP 203 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2c9i h ASP 203 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2c9i h ASP 203 CO 0.53 0.15 0.00 -0.90 -2.88 0.00 0.00 179.24 176.14 2c9i n ASP 204 N -4.19 3.69 -3.50 2.28 3.85 -1.26 -4.98 116.55 112.44 2c9i n ASP 204 Ca -0.02 -1.99 -0.24 0.00 -0.71 0.00 0.00 54.79 51.83 2c9i n ASP 204 Cb 0.22 -0.39 0.07 0.00 -1.35 0.00 0.00 41.12 39.67 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 1.45 -2.70 -0.02 2.11 7.02 -0.87 -4.83 117.44 119.61 2c9i n TRP 205 Ca 0.21 0.92 0.04 0.00 -1.02 0.00 0.00 57.50 57.65 2c9i n TRP 205 Cb 0.59 -4.91 -0.11 0.00 -2.42 0.00 0.00 31.31 24.45 2c9i n TRP 205 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 2c9i n LYS 206 N -4.82 0.76 -4.40 -0.99 2.85 -1.26 -4.71 118.16 105.59 2c9i n LYS 206 Ca -0.01 -0.10 -0.20 0.00 -1.05 0.00 0.00 58.31 56.94 2c9i n LYS 206 Cb 0.57 -1.35 -0.15 0.00 -0.65 0.00 0.00 35.03 33.45 2c9i n LYS 206 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2c9i s THR 207 N -2.86 0.80 -0.07 0.58 2.01 -1.26 -1.03 115.64 113.81 2c9i s THR 207 Ca -0.06 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 2c9i s THR 207 Cb 0.08 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.92 2c9i s THR 207 CO 0.60 0.25 0.16 0.54 -0.69 0.00 0.00 174.62 175.48 2c9i s VAL 208 N 0.16 -0.04 -0.25 3.82 0.11 -0.39 -0.53 120.40 123.28 2c9i s VAL 208 Ca -0.03 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 2c9i s VAL 208 Cb -0.08 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2c9i s VAL 208 CO 0.00 0.06 0.29 -0.70 -3.33 0.00 0.00 175.10 171.43 2c9i s GLU 209 N 1.01 4.05 -0.07 1.54 2.12 0.24 -0.67 118.70 126.91 2c9i s GLU 209 Ca -0.08 -0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.23 2c9i s GLU 209 Cb -0.10 -3.61 -0.00 0.00 0.26 0.00 0.00 34.13 30.69 2c9i s GLU 209 CO -0.05 -0.14 -0.21 -1.14 -0.54 0.00 0.00 175.26 173.18 2c9i s GLN 210 N 1.63 2.40 0.09 4.30 0.74 -0.24 -0.00 119.66 128.58 2c9i s GLN 210 Ca 0.13 -0.75 0.09 0.00 0.05 0.00 0.00 55.36 54.88 2c9i s GLN 210 Cb -0.15 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 31.98 2c9i s GLN 210 CO 0.09 0.23 -0.24 -1.58 -0.55 0.00 0.00 175.29 173.23 2c9i s HIS 211 N 0.18 2.10 -0.05 1.67 5.65 0.18 -0.45 115.29 124.57 2c9i s HIS 211 Ca -0.10 -0.40 -0.04 0.00 0.25 0.00 0.00 55.06 54.77 2c9i s HIS 211 Cb -0.15 -1.18 0.02 0.00 -1.18 0.00 0.00 32.58 30.09 2c9i s HIS 211 CO 0.05 0.23 0.13 -2.00 -0.65 0.00 0.00 174.74 172.50 2c9i s GLU 212 N -1.73 0.13 -0.06 2.88 2.12 -0.64 -0.65 118.70 120.75 2c9i s GLU 212 Ca 0.11 0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.71 2c9i s GLU 212 Cb -0.10 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2c9i s GLU 212 CO 0.04 -0.06 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.40 2c9i s SER 213 N 0.39 2.36 -0.05 -1.70 0.01 -0.76 -1.47 113.70 112.49 2c9i s SER 213 Ca -0.03 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2c9i s SER 213 Cb -0.04 -0.84 0.01 0.00 0.21 0.00 0.00 66.02 65.36 2c9i s SER 213 CO -0.02 0.14 -0.10 -0.69 0.41 0.00 0.00 173.24 172.98 2c9i s VAL 214 N 0.22 0.92 -0.14 3.43 1.01 0.18 -1.55 120.40 124.47 2c9i s VAL 214 Ca -0.09 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2c9i s VAL 214 Cb -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2c9i s VAL 214 CO 0.04 0.30 -0.15 -0.69 0.00 0.00 0.00 175.10 174.60 2c9i s VAL 215 N 0.56 1.63 -0.08 2.92 1.01 -0.65 -1.15 120.40 124.64 2c9i s VAL 215 Ca -0.10 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2c9i s VAL 215 Cb -0.13 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2c9i s VAL 215 CO 0.02 0.47 0.31 0.00 0.00 0.00 0.00 175.10 175.90 2c9i s ALA 216 N 1.32 3.71 -0.06 5.51 0.00 0.29 -0.43 121.76 132.10 2c9i s ALA 216 Ca 0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2c9i s ALA 216 Cb -0.13 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.80 2c9i s ALA 216 CO -0.08 0.40 0.88 0.45 0.00 0.00 0.00 175.76 177.41 2c9i s SER 217 N -0.60 -0.42 1.06 0.00 0.15 -0.44 -4.30 113.70 109.15 2c9i s SER 217 Ca 0.20 0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 2c9i s SER 217 Cb -0.14 0.39 0.22 0.00 -1.71 0.00 0.00 66.02 64.77 2c9i s SER 217 CO 0.08 -0.53 1.12 -0.31 1.20 0.00 0.00 173.24 174.80 2c9i s TYR 218 N -2.10 1.57 0.39 3.44 4.12 -1.26 -1.29 117.35 122.22 2c9i s TYR 218 Ca -0.00 0.74 -0.27 0.00 0.02 0.00 0.00 57.07 57.56 2c9i s TYR 218 Cb -0.01 -3.41 -0.09 0.00 -1.52 0.00 0.00 41.96 36.93 2c9i s TYR 218 CO -0.02 -3.16 1.35 0.45 0.02 0.00 0.00 175.55 174.18 2c9i s SER 219 N -3.80 6.34 0.15 2.29 0.15 -1.26 -4.88 113.70 112.70 2c9i s SER 219 Ca 0.68 2.75 0.27 0.00 0.70 0.00 0.00 55.95 60.35 2c9i s SER 219 Cb -0.14 -2.65 0.93 0.00 -1.71 0.00 0.00 66.02 62.45 2c9i s SER 219 CO 0.56 -0.84 1.82 0.00 1.20 0.00 0.00 173.24 175.98 2c9i n GLN 220 N 0.26 0.19 -2.57 5.44 1.13 -1.26 -4.83 117.38 115.74 2c9i n GLN 220 Ca 0.03 0.16 -0.42 0.00 -1.94 0.00 0.00 57.00 54.82 2c9i n GLN 220 Cb 0.42 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 2c9i n GLN 220 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2c9i s VAL 221 N -3.08 4.51 0.52 5.09 1.01 -1.26 -5.01 120.40 122.19 2c9i s VAL 221 Ca 0.11 1.81 -0.22 0.00 0.00 0.00 0.00 61.98 63.68 2c9i s VAL 221 Cb 0.14 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2c9i s VAL 221 CO 0.58 -0.02 1.31 -2.65 0.00 0.00 0.00 175.10 174.32 2c9i n PRO 222 N 5.25 1.70 -4.34 2.72 -0.02 -1.26 -5.03 135.00 134.02 2c9i n PRO 222 Ca 0.10 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 2c9i n PRO 222 Cb 0.47 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.84 5.16 0.17 2.55 0.15 -1.26 -5.01 113.70 114.61 2c9i s SER 223 Ca 0.69 0.06 0.18 0.00 0.70 0.00 0.00 55.95 57.59 2c9i s SER 223 Cb -0.44 -1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2c9i s SER 223 CO 0.51 0.33 1.07 0.11 1.20 0.00 0.00 173.24 176.46 2c9i h LYS 224 N 4.74 0.00 -0.22 5.44 1.79 -1.96 -3.37 116.57 123.00 2c9i h LYS 224 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2c9i h LYS 224 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2c9i h LYS 224 CO 0.56 0.25 0.00 1.28 -1.08 0.00 0.00 179.45 180.45 2c9i n LEU 225 N -2.93 3.04 -0.15 2.94 4.32 -1.26 -4.97 117.00 118.00 2c9i n LEU 225 Ca -0.04 -1.31 -0.02 0.00 -0.02 0.00 0.00 56.01 54.63 2c9i n LEU 225 Cb 0.73 -0.13 -0.01 0.00 -1.62 0.00 0.00 43.42 42.39 2c9i n LEU 225 CO 0.41 0.61 -0.02 0.61 -1.22 0.00 0.00 177.39 177.78 2c9i n GLY 226 N 1.24 0.45 3.89 -0.72 0.00 -1.26 -5.05 105.19 103.73 2c9i n GLY 226 Ca 0.15 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.07 3.46 -2.00 1.61 3.76 -1.26 -5.10 115.29 113.70 2c9i s HIS 227 Ca 0.00 0.83 0.15 0.00 -0.15 0.00 0.00 55.06 55.89 2c9i s HIS 227 Cb 0.00 -2.25 0.92 0.00 1.11 0.00 0.00 32.58 32.35 2c9i s HIS 227 CO 0.00 0.10 1.33 0.09 -0.85 0.00 0.00 174.74 175.41