#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 3.48 0.07 2.03 1.51 -1.26 -4.99 117.35 118.18 2c9i s TYR 2 Ca 0.00 1.69 -0.36 0.00 -1.01 0.00 0.00 57.07 57.39 2c9i s TYR 2 Cb 0.00 -2.89 -0.16 0.00 -0.11 0.00 0.00 41.96 38.80 2c9i s TYR 2 CO 0.00 0.01 1.46 -2.30 -1.11 0.00 0.00 175.55 173.61 2c9i n PRO 3 N -0.09 1.47 -1.22 -1.71 -0.02 -1.26 -2.44 135.00 129.74 2c9i n PRO 3 Ca 0.05 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 2c9i n PRO 3 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2c9i n PRO 3 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c9i n SER 4 N 3.20 -5.50 -4.39 2.55 3.41 -1.26 -4.82 113.62 106.81 2c9i n SER 4 Ca 0.19 0.19 -0.40 0.00 -0.26 0.00 0.00 58.87 58.58 2c9i n SER 4 Cb 0.22 -3.66 -0.11 0.00 -0.26 0.00 0.00 64.21 60.39 2c9i n SER 4 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2c9i s ILE 5 N -1.75 4.62 0.51 -1.33 -1.09 -1.02 -4.95 121.20 116.19 2c9i s ILE 5 Ca 0.00 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 2c9i s ILE 5 Cb 0.00 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2c9i s ILE 5 CO 0.00 -0.20 0.75 -0.54 -1.23 0.00 0.00 174.94 173.72 2c9i s LYS 6 N 1.57 2.89 0.31 2.79 1.02 -1.26 -4.70 119.74 122.37 2c9i s LYS 6 Ca 0.02 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.59 2c9i s LYS 6 Cb -0.19 -2.48 0.59 0.00 -0.52 0.00 0.00 37.83 35.24 2c9i s LYS 6 CO 0.07 -0.48 1.90 0.93 -0.92 0.00 0.00 175.35 176.84 2c9i h GLU 7 N 0.18 0.93 -4.56 1.68 3.07 -1.98 -3.40 114.58 110.50 2c9i h GLU 7 Ca -0.45 -0.06 -0.49 0.00 -0.50 0.00 0.00 59.36 57.87 2c9i h GLU 7 Cb 1.26 -0.21 -0.33 0.00 -0.84 0.00 0.00 28.75 28.64 2c9i h GLU 7 CO 0.57 0.61 -0.81 -0.08 -1.40 0.00 0.00 179.01 177.91 2c9i s THR 8 N -5.86 1.02 0.12 1.13 -1.32 -1.26 -3.85 115.64 105.62 2c9i s THR 8 Ca -0.11 -0.43 0.07 0.00 -1.21 0.00 0.00 61.69 60.01 2c9i s THR 8 Cb 0.20 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.23 2c9i s THR 8 CO 0.80 0.32 -0.17 -0.04 -2.21 0.00 0.00 174.62 173.32 2c9i s MET 9 N 0.55 1.10 0.24 7.08 -1.94 -0.85 -4.98 119.30 120.49 2c9i s MET 9 Ca -0.11 -1.24 0.01 0.00 -1.71 0.00 0.00 55.69 52.64 2c9i s MET 9 Cb -0.14 -1.15 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 2c9i s MET 9 CO 0.03 0.24 0.41 1.03 -0.01 0.00 0.00 175.02 176.72 2c9i s ARG 10 N -2.40 3.49 -0.06 2.03 3.00 0.03 -1.69 118.95 123.35 2c9i s ARG 10 Ca 0.09 -0.44 0.05 0.00 0.00 0.00 0.00 55.73 55.43 2c9i s ARG 10 Cb -0.07 -2.82 -0.00 0.00 0.00 0.00 0.00 34.95 32.06 2c9i s ARG 10 CO 0.04 0.36 -0.21 0.08 0.00 0.00 0.00 175.30 175.57 2c9i s VAL 11 N -1.98 1.79 -0.17 3.52 1.01 0.71 -0.35 120.40 124.93 2c9i s VAL 11 Ca 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2c9i s VAL 11 Cb -0.10 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2c9i s VAL 11 CO 0.30 0.50 -0.08 -1.58 0.00 0.00 0.00 175.10 174.25 2c9i s GLN 12 N 0.10 1.72 0.01 2.72 0.74 -0.13 -2.16 119.66 122.67 2c9i s GLN 12 Ca -0.09 -0.61 0.06 0.00 0.05 0.00 0.00 55.36 54.77 2c9i s GLN 12 Cb -0.14 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.82 2c9i s GLN 12 CO 0.05 -0.40 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.03 2c9i s LEU 13 N 1.54 2.10 -0.02 3.68 0.20 -0.45 0.01 118.68 125.75 2c9i s LEU 13 Ca 0.01 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.45 2c9i s LEU 13 Cb -0.15 -0.92 -0.00 0.00 -0.43 0.00 0.00 46.19 44.69 2c9i s LEU 13 CO -0.08 0.18 -0.13 -0.94 -0.29 0.00 0.00 176.35 175.09 2c9i s SER 14 N -0.79 1.57 -0.02 3.68 1.04 -0.42 -0.21 113.70 118.56 2c9i s SER 14 Ca 0.07 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2c9i s SER 14 Cb -0.08 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 2c9i s SER 14 CO 0.00 0.13 -0.09 -0.32 0.98 0.00 0.00 173.24 173.95 2c9i s MET 15 N -0.09 0.86 0.04 4.02 0.00 0.18 -0.84 119.30 123.47 2c9i s MET 15 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 55.69 55.37 2c9i s MET 15 Cb -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 34.83 33.91 2c9i s MET 15 CO 0.00 0.15 -0.01 -1.83 0.00 0.00 0.00 175.02 173.33 2c9i s GLU 16 N 0.03 0.50 0.00 4.11 -1.05 -0.83 -0.12 118.70 121.34 2c9i s GLU 16 Ca -0.00 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 2c9i s GLU 16 Cb -0.06 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 2c9i s GLU 16 CO 0.00 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.52 2c9i n GLY 17 N 0.75 -0.07 3.26 -3.83 0.00 -1.00 -1.13 105.19 103.18 2c9i n GLY 17 Ca -0.18 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.24 -0.05 1.61 1.04 -0.70 -1.19 113.70 110.18 2c9i s SER 18 Ca 0.00 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.62 2c9i s SER 18 Cb 0.00 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2c9i s SER 18 CO 0.00 -0.44 -0.04 -0.69 0.98 0.00 0.00 173.24 173.05 2c9i s VAL 19 N -1.23 0.52 -1.14 5.02 1.01 -0.67 -0.39 120.40 123.52 2c9i s VAL 19 Ca -0.13 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2c9i s VAL 19 Cb -0.05 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2c9i s VAL 19 CO 0.05 0.23 0.70 0.59 0.00 0.00 0.00 175.10 176.66 2c9i n ASN 20 N 4.15 -4.58 0.00 3.32 5.03 -0.66 -1.46 115.26 121.06 2c9i n ASN 20 Ca -0.23 -1.18 0.00 0.00 0.87 0.00 0.00 54.58 54.04 2c9i n ASN 20 Cb 0.51 -2.11 0.00 0.00 -1.02 0.00 0.00 39.78 37.16 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 -4.50 0.00 -3.64 3.10 4.02 -1.26 -4.98 117.16 109.91 2c9i n TYR 21 Ca -0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.37 2c9i n TYR 21 Cb 0.58 -0.36 -0.11 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.59 3.20 0.27 -0.72 2.46 -0.54 -5.08 115.29 112.29 2c9i s HIS 22 Ca 0.00 -0.66 -0.19 0.00 0.47 0.00 0.00 55.06 54.69 2c9i s HIS 22 Cb 0.00 -2.38 -0.09 0.00 -0.13 0.00 0.00 32.58 29.98 2c9i s HIS 22 CO 0.00 -0.50 0.76 0.00 -2.47 0.00 0.00 174.74 172.53 2c9i s ALA 23 N 1.60 3.34 0.14 1.58 0.00 -1.26 -1.67 121.76 125.49 2c9i s ALA 23 Ca 0.04 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2c9i s ALA 23 Cb -0.18 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.12 2c9i s ALA 23 CO 0.06 0.30 0.44 -0.59 0.00 0.00 0.00 175.76 175.98 2c9i s PHE 24 N -1.71 -0.21 0.01 0.00 -0.12 -0.33 -4.38 117.98 111.23 2c9i s PHE 24 Ca 0.48 -0.10 0.02 0.00 -0.05 0.00 0.00 56.93 57.29 2c9i s PHE 24 Cb -0.14 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.54 2c9i s PHE 24 CO 0.20 -0.75 -0.07 0.15 -0.05 0.00 0.00 175.22 174.69 2c9i s LYS 25 N -3.81 0.54 0.04 1.99 1.02 -0.73 -2.36 119.74 116.41 2c9i s LYS 25 Ca 0.04 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2c9i s LYS 25 Cb 0.01 -0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 2c9i s LYS 25 CO -0.10 0.12 -0.08 0.00 -0.92 0.00 0.00 175.35 174.36 2c9i s THR 27 N -1.08 1.39 -0.02 0.00 -4.23 -0.62 0.52 115.64 111.59 2c9i s THR 27 Ca -0.06 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2c9i s THR 27 Cb -0.08 -1.36 -0.00 0.00 1.34 0.00 0.00 72.50 72.39 2c9i s THR 27 CO 0.01 -0.22 -0.13 -0.83 -0.54 0.00 0.00 174.62 172.91 2c9i s GLY 28 N -1.99 0.68 -0.13 3.99 0.00 0.71 -1.37 107.32 109.21 2c9i s GLY 28 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2c9i s GLY 28 CO 0.03 -0.31 -0.15 1.25 0.00 0.00 0.00 173.10 173.92 2c9i s LYS 29 N -0.06 2.26 0.30 2.90 2.20 -0.24 -1.34 119.74 125.77 2c9i s LYS 29 Ca 0.00 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2c9i s LYS 29 Cb -0.08 -1.99 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 2c9i s LYS 29 CO 0.00 -0.14 0.54 0.41 -0.36 0.00 0.00 175.35 175.80 2c9i n GLY 30 N 4.47 1.59 3.55 5.54 0.00 -0.92 -0.34 105.19 119.07 2c9i n GLY 30 Ca -0.18 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 2c9i n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2c9i s GLU 31 N -2.27 1.47 0.16 1.61 1.03 -0.79 -0.21 118.70 119.70 2c9i s GLU 31 Ca 0.16 -1.18 -0.23 0.00 0.03 0.00 0.00 54.97 53.75 2c9i s GLU 31 Cb -0.03 0.47 0.08 0.00 -0.80 0.00 0.00 34.13 33.85 2c9i s GLU 31 CO 0.12 -0.61 1.06 0.20 -1.33 0.00 0.00 175.26 174.70 2c9i s GLY 32 N -2.99 0.05 -0.53 -3.83 0.00 -0.68 -0.44 107.32 98.89 2c9i s GLY 32 Ca 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.69 2c9i s GLY 32 CO 0.06 2.45 0.30 0.54 0.00 0.00 0.00 173.10 176.45 2c9i s LYS 33 N -2.26 2.15 0.29 2.90 -0.14 0.93 -2.00 119.74 121.62 2c9i s LYS 33 Ca 0.21 -2.45 0.04 0.00 -1.36 0.00 0.00 55.97 52.41 2c9i s LYS 33 Cb -0.02 -3.48 0.71 0.00 -1.68 0.00 0.00 37.83 33.36 2c9i s LYS 33 CO 0.04 -1.11 1.73 -1.35 -0.76 0.00 0.00 175.35 173.90 2c9i h PRO 34 N 6.93 0.52 0.00 -1.68 0.11 -1.79 0.22 132.00 136.31 2c9i h PRO 34 Ca -0.06 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.89 2c9i h PRO 34 Cb 0.94 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 2c9i h PRO 34 CO 0.68 0.35 -0.67 1.88 -0.21 0.00 0.00 178.00 180.03 2c9i h TYR 35 N 0.54 0.00 0.00 0.65 -1.99 -1.82 -3.12 116.97 111.22 2c9i h TYR 35 Ca 0.56 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.29 2c9i h TYR 35 Cb 0.97 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.70 2c9i h TYR 35 CO -0.08 0.59 -0.50 0.39 -0.00 0.00 0.00 178.16 178.56 2c9i n GLU 36 N -3.22 0.28 -1.71 4.88 1.02 -0.58 -4.48 120.64 116.84 2c9i n GLU 36 Ca 0.01 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.22 2c9i n GLU 36 Cb 0.78 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.33 0.38 3.42 0.62 0.00 0.67 -4.55 105.19 107.07 2c9i n GLY 37 Ca 0.04 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2c9i n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c9i s THR 38 N -2.15 2.48 -0.01 2.61 -4.23 -1.12 -0.56 115.64 112.66 2c9i s THR 38 Ca 0.00 -1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2c9i s THR 38 Cb 0.00 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.80 2c9i s THR 38 CO 0.00 0.16 0.51 0.00 -0.54 0.00 0.00 174.62 174.76 2c9i s GLN 39 N -1.90 0.93 0.03 3.99 -2.07 -0.59 -0.05 119.66 120.02 2c9i s GLN 39 Ca 0.15 -0.04 0.05 0.00 -1.82 0.00 0.00 55.36 53.70 2c9i s GLN 39 Cb -0.10 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2c9i s GLN 39 CO 0.07 -0.30 -0.15 0.45 -1.32 0.00 0.00 175.29 174.03 2c9i s SER 40 N -1.49 1.82 -0.05 12.60 0.15 0.41 -1.47 113.70 125.68 2c9i s SER 40 Ca -0.10 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2c9i s SER 40 Cb -0.02 -0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2c9i s SER 40 CO 0.04 0.07 -0.01 -0.22 1.20 0.00 0.00 173.24 174.32 2c9i s LEU 41 N -1.06 1.04 -0.34 3.45 2.96 0.57 -1.89 118.68 123.41 2c9i s LEU 41 Ca 0.03 -0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2c9i s LEU 41 Cb -0.08 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.23 2c9i s LEU 41 CO 0.01 -0.11 0.34 0.20 -1.32 0.00 0.00 176.35 175.47 2c9i s ASN 42 N 1.27 6.15 -0.17 3.68 0.01 0.53 -0.85 114.94 125.57 2c9i s ASN 42 Ca -0.06 -0.30 -0.04 0.00 -0.71 0.00 0.00 52.86 51.76 2c9i s ASN 42 Cb -0.13 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 2c9i s ASN 42 CO -0.02 -0.32 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.58 2c9i s ILE 43 N 1.95 3.83 -0.13 0.60 1.01 0.25 -1.08 121.20 127.64 2c9i s ILE 43 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2c9i s ILE 43 Cb -0.17 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2c9i s ILE 43 CO 0.11 0.48 -0.14 0.28 0.00 0.00 0.00 174.94 175.67 2c9i s THR 44 N 0.58 2.92 -0.59 2.92 -1.32 -0.47 -1.00 115.64 118.67 2c9i s THR 44 Ca -0.03 -0.71 -0.25 0.00 -1.21 0.00 0.00 61.69 59.50 2c9i s THR 44 Cb -0.14 -2.22 0.04 0.00 -1.51 0.00 0.00 72.50 68.67 2c9i s THR 44 CO 0.03 0.53 1.02 -0.63 -2.21 0.00 0.00 174.62 173.35 2c9i s ILE 45 N 0.38 4.25 0.05 5.08 1.01 0.51 -1.59 121.20 130.90 2c9i s ILE 45 Ca -0.11 0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.91 2c9i s ILE 45 Cb -0.16 -4.63 -0.21 0.00 0.01 0.00 0.00 42.46 37.46 2c9i s ILE 45 CO 0.06 -1.28 1.06 0.71 0.00 0.00 0.00 174.94 175.48 2c9i h THR 46 N 6.04 1.38 -3.88 2.92 1.35 -1.36 -3.46 112.91 115.89 2c9i h THR 46 Ca -0.27 -3.13 -0.23 0.00 -0.55 0.00 0.00 66.41 62.23 2c9i h THR 46 Cb 1.07 2.68 -0.25 0.00 -1.73 0.00 0.00 68.15 69.92 2c9i h THR 46 CO 1.14 0.79 -0.72 -1.61 -0.25 0.00 0.00 175.52 174.86 2c9i s GLU 47 N -2.68 0.26 0.00 4.72 2.02 -1.00 -4.89 118.70 117.13 2c9i s GLU 47 Ca -0.01 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2c9i s GLU 47 Cb 0.09 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.24 2c9i s GLU 47 CO 0.82 0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.52 2c9i n GLY 48 N 2.30 1.63 7.00 -1.39 0.00 -1.26 -1.78 105.19 111.70 2c9i n GLY 48 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.01 0.95 3.71 -0.02 0.00 -1.26 -3.99 105.19 103.57 2c9i n GLY 49 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2c9i n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c9i s PRO 50 N 0.00 4.36 0.24 1.61 0.02 -1.26 -4.92 135.00 135.05 2c9i s PRO 50 Ca 0.00 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 62.66 2c9i s PRO 50 Cb 0.00 -3.30 -0.12 0.00 0.02 0.00 0.00 34.50 31.10 2c9i s PRO 50 CO 0.00 -0.38 1.64 1.28 -0.33 0.00 0.00 177.00 179.21 2c9i n LEU 51 N 4.02 4.03 0.00 -5.54 4.32 -1.26 -4.88 117.00 117.69 2c9i n LEU 51 Ca 0.11 1.10 0.14 0.00 -0.02 0.00 0.00 56.01 57.34 2c9i n LEU 51 Cb 0.44 -1.56 0.77 0.00 -1.62 0.00 0.00 43.42 41.45 2c9i n LEU 51 CO 0.57 0.10 1.00 -0.81 -1.22 0.00 0.00 177.39 177.03 2c9i n PRO 52 N 3.05 0.62 -4.53 3.23 -0.04 -1.26 -4.82 135.00 131.26 2c9i n PRO 52 Ca 0.13 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 2c9i n PRO 52 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.32 2.34 0.10 0.54 -0.12 -1.26 -4.65 117.98 112.61 2c9i s PHE 53 Ca 0.34 -0.53 -0.31 0.00 -0.05 0.00 0.00 56.93 56.38 2c9i s PHE 53 Cb 0.19 -1.35 -0.10 0.00 -0.63 0.00 0.00 43.02 41.14 2c9i s PHE 53 CO 0.39 0.54 1.84 0.00 -0.05 0.00 0.00 175.22 177.93 2c9i s ALA 54 N -2.67 3.72 0.42 1.99 0.00 0.35 -4.88 121.76 120.68 2c9i s ALA 54 Ca 0.32 1.39 0.11 0.00 0.00 0.00 0.00 51.96 53.79 2c9i s ALA 54 Cb 0.03 -3.78 0.95 0.00 0.00 0.00 0.00 23.12 20.32 2c9i s ALA 54 CO 0.16 -1.29 1.98 0.35 0.00 0.00 0.00 175.76 176.96 2c9i h PHE 55 N 9.01 0.51 -1.15 0.00 3.04 -1.93 -2.97 116.94 123.46 2c9i h PHE 55 Ca -0.46 0.01 0.33 0.00 3.98 0.00 0.00 57.97 61.83 2c9i h PHE 55 Cb 1.22 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.50 2c9i h PHE 55 CO 0.83 0.26 0.80 -0.44 -2.02 0.00 0.00 178.31 177.74 2c9i h ASP 56 N 0.50 0.12 0.50 0.41 3.32 -1.96 -0.31 116.42 118.99 2c9i h ASP 56 Ca 0.27 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2c9i h ASP 56 Cb 0.41 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2c9i h ASP 56 CO -0.08 0.02 0.00 2.30 -1.72 0.00 0.00 179.24 179.76 2c9i n ILE 57 N -4.31 0.71 0.34 0.35 -5.35 -1.12 -2.31 119.36 107.67 2c9i n ILE 57 Ca 0.26 0.18 0.10 0.00 -0.27 0.00 0.00 62.75 63.01 2c9i n ILE 57 Cb 1.15 -0.89 -0.14 0.00 -1.74 0.00 0.00 39.64 38.03 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 -1.43 0.34 -0.36 7.28 4.77 -0.13 -4.67 117.00 122.81 2c9i n LEU 58 Ca 0.06 -0.19 0.05 0.00 -0.03 0.00 0.00 56.01 55.89 2c9i n LEU 58 Cb 0.18 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.47 2c9i n LEU 58 CO 0.15 0.09 1.24 0.28 -1.33 0.00 0.00 177.39 177.81 2c9i h SER 59 N 0.00 0.95 -0.23 -1.43 0.02 -1.51 -1.65 113.55 109.70 2c9i h SER 59 Ca 0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2c9i h SER 59 Cb 0.74 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2c9i h SER 59 CO 0.00 0.56 -0.04 0.45 -1.14 0.00 0.00 176.83 176.66 2c9i h HIS 60 N 1.06 0.58 0.00 3.45 3.86 -1.83 -3.01 115.15 119.26 2c9i h HIS 60 Ca 0.46 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.47 2c9i h HIS 60 Cb 0.33 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2c9i h HIS 60 CO -0.01 0.59 -0.58 0.00 0.86 0.00 0.00 177.93 178.79 2c9i h ALA 61 N 1.44 0.92 0.00 2.45 0.00 -1.62 -3.45 119.26 119.00 2c9i h ALA 61 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2c9i h ALA 61 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2c9i h ALA 61 CO 0.02 0.73 0.00 1.19 0.00 0.00 0.00 179.25 181.19 2c9i n PHE 62 N -3.68 0.00 0.00 0.00 3.01 -1.08 -4.99 117.46 110.72 2c9i n PHE 62 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2c9i n PHE 62 Cb 0.62 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 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 0.07 0.00 1.74 4.37 5.41 -1.26 -5.07 119.36 124.62 2c9i n ILE 66 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 2c9i n ILE 66 Cb 0.03 0.00 0.56 0.00 -0.71 0.00 0.00 39.64 39.52 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 0.87 0.13 0.38 4.76 -1.26 -2.83 118.16 120.21 2c9i n LYS 67 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 2c9i n LYS 67 Cb 0.00 -1.34 0.44 0.00 -1.84 0.00 0.00 35.03 32.29 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 1.14 -1.39 -0.18 2.07 -1.96 -3.31 116.25 112.63 2c9i h VAL 68 Ca 0.00 -0.60 -0.75 0.00 0.82 0.00 0.00 66.70 66.17 2c9i h VAL 68 Cb 0.00 1.11 -0.15 0.00 -1.52 0.00 0.00 31.29 30.74 2c9i h VAL 68 CO 0.00 0.19 2.01 0.49 0.02 0.00 0.00 177.57 180.28 2c9i n PHE 69 N -4.34 3.35 -3.96 1.57 3.01 -1.13 -4.68 117.46 111.28 2c9i n PHE 69 Ca -0.01 -2.90 -0.14 0.00 1.01 0.00 0.00 57.45 55.42 2c9i n PHE 69 Cb 0.22 -2.05 -0.14 0.00 -0.01 0.00 0.00 39.48 37.49 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 0.88 0.17 -0.46 4.37 0.00 -1.19 -4.32 121.76 121.21 2c9i s ALA 70 Ca 0.41 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.05 2c9i s ALA 70 Cb 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2c9i s ALA 70 CO -0.00 0.02 1.11 0.21 0.00 0.00 0.00 175.76 177.10 2c9i s LYS 71 N 0.13 3.75 -0.10 0.00 2.20 -0.42 -4.48 119.74 120.82 2c9i s LYS 71 Ca -0.01 0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 2c9i s LYS 71 Cb -0.03 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 2c9i s LYS 71 CO -0.00 -1.31 -0.05 0.71 -0.36 0.00 0.00 175.35 174.34 2c9i s TYR 72 N 4.29 2.99 0.72 4.03 1.51 -1.26 -0.40 117.35 129.23 2c9i s TYR 72 Ca 0.47 -0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.33 2c9i s TYR 72 Cb -0.08 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 2c9i s TYR 72 CO 0.29 0.21 1.07 -1.25 -1.11 0.00 0.00 175.55 174.76 2c9i s PRO 73 N -0.38 2.71 0.27 -1.71 0.04 -1.26 -4.98 135.00 129.69 2c9i s PRO 73 Ca 0.06 0.74 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 2c9i s PRO 73 Cb -0.12 -1.98 0.35 0.00 0.04 0.00 0.00 34.50 32.78 2c9i s PRO 73 CO 0.02 -1.21 1.93 0.87 0.04 0.00 0.00 177.00 178.65 2c9i h LYS 74 N -0.79 1.22 0.00 4.56 1.57 -2.00 -3.01 116.57 118.12 2c9i h LYS 74 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2c9i h LYS 74 Cb 1.23 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2c9i h LYS 74 CO 0.59 0.81 0.00 -0.85 -0.57 0.00 0.00 179.45 179.43 2c9i n GLU 75 N -4.42 0.09 -3.83 3.15 0.28 -1.26 -4.63 120.64 110.02 2c9i n GLU 75 Ca 0.12 0.04 -0.36 0.00 -0.16 0.00 0.00 57.16 56.80 2c9i n GLU 75 Cb 0.06 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.30 2c9i n GLU 75 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2c9i s ILE 76 N -2.90 3.78 0.21 3.84 1.01 -1.14 -5.03 121.20 120.96 2c9i s ILE 76 Ca 0.16 -0.40 -0.32 0.00 0.00 0.00 0.00 60.65 60.08 2c9i s ILE 76 Cb 0.18 -2.77 -0.13 0.00 0.01 0.00 0.00 42.46 39.75 2c9i s ILE 76 CO 0.47 0.35 1.62 -2.65 0.00 0.00 0.00 174.94 174.73 2c9i n PRO 77 N 4.85 2.45 -3.11 2.79 -0.02 -1.26 -4.69 135.00 136.01 2c9i n PRO 77 Ca -0.17 0.88 -0.45 0.00 -2.02 0.00 0.00 63.50 61.74 2c9i n PRO 77 Cb 0.51 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 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 0.88 6.44 0.24 2.55 3.68 -1.26 -4.42 116.67 124.77 2c9i s ASP 78 Ca 0.74 -1.88 -0.05 0.00 2.13 0.00 0.00 52.55 53.49 2c9i s ASP 78 Cb -0.58 -2.31 0.37 0.00 -1.45 0.00 0.00 42.92 38.95 2c9i s ASP 78 CO 0.38 -0.98 1.81 0.15 0.13 0.00 0.00 175.17 176.66 2c9i h PHE 79 N 8.77 0.83 -0.06 -5.34 3.04 -1.92 -1.83 116.94 120.43 2c9i h PHE 79 Ca -0.08 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.70 2c9i h PHE 79 Cb 1.06 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.33 2c9i h PHE 79 CO 0.97 0.35 -0.73 0.74 -2.02 0.00 0.00 178.31 177.63 2c9i h PHE 80 N 0.78 0.85 -0.17 0.41 -1.00 -1.91 -0.57 116.94 115.33 2c9i h PHE 80 Ca 0.38 -0.42 -0.13 0.00 2.81 0.00 0.00 57.97 60.61 2c9i h PHE 80 Cb 0.33 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2c9i h PHE 80 CO -0.06 1.23 -0.45 0.87 -1.61 0.00 0.00 178.31 178.29 2c9i h LYS 81 N 0.22 0.42 -0.70 1.51 1.57 -1.87 -1.88 116.57 115.85 2c9i h LYS 81 Ca -0.07 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2c9i h LYS 81 Cb 1.39 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2c9i h LYS 81 CO 0.15 0.79 0.29 1.96 -0.57 0.00 0.00 179.45 182.07 2c9i h GLN 82 N 0.34 1.04 0.00 3.15 4.20 -1.25 -3.28 115.11 119.31 2c9i h GLN 82 Ca 0.02 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2c9i h GLN 82 Cb 0.93 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2c9i h GLN 82 CO 0.08 0.85 -0.53 0.77 -0.67 0.00 0.00 178.83 179.33 2c9i h SER 83 N 0.99 0.00 0.12 1.46 0.02 -0.95 -3.40 113.55 111.79 2c9i h SER 83 Ca 0.23 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2c9i h SER 83 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2c9i h SER 83 CO -0.02 0.05 -0.13 0.25 -1.14 0.00 0.00 176.83 175.84 2c9i h LEU 84 N 0.00 -0.35 -0.62 5.07 6.46 -1.40 0.13 115.31 124.60 2c9i h LEU 84 Ca 0.00 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2c9i h LEU 84 Cb 0.84 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 2c9i h LEU 84 CO 0.00 -0.20 0.34 -0.65 -0.62 0.00 0.00 178.44 177.31 2c9i h PRO 85 N -0.28 0.61 0.00 5.25 0.11 -1.79 -1.22 132.00 134.68 2c9i h PRO 85 Ca 0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2c9i h PRO 85 Cb 0.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 2c9i h PRO 85 CO -0.05 0.41 -0.12 0.78 -0.21 0.00 0.00 178.00 178.81 2c9i h GLY 86 N 0.63 0.00 0.00 -0.55 0.00 -1.82 -3.42 103.07 97.91 2c9i h GLY 86 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2c9i h GLY 86 CO -0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.98 2c9i n GLY 87 N 0.77 2.05 3.42 4.60 0.00 0.44 -4.69 105.19 111.79 2c9i n GLY 87 Ca 0.02 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.02 0.42 0.05 1.61 -0.12 -0.49 -1.62 117.98 115.81 2c9i s PHE 88 Ca 0.00 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.14 2c9i s PHE 88 Cb 0.00 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.37 2c9i s PHE 88 CO 0.00 -0.82 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.14 2c9i s SER 89 N -3.00 1.04 0.08 1.98 0.01 -0.37 0.14 113.70 113.59 2c9i s SER 89 Ca 0.21 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 56.96 2c9i s SER 89 Cb 0.02 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2c9i s SER 89 CO 0.04 -0.17 -0.13 -1.66 0.41 0.00 0.00 173.24 171.73 2c9i s TRP 90 N -1.33 1.18 0.02 2.43 1.48 -0.56 -1.03 118.94 121.13 2c9i s TRP 90 Ca -0.08 -0.52 0.02 0.00 -1.06 0.00 0.00 56.10 54.46 2c9i s TRP 90 Cb -0.10 -0.65 -0.01 0.00 -1.16 0.00 0.00 33.47 31.54 2c9i s TRP 90 CO 0.01 0.05 -0.06 -1.21 -4.06 0.00 0.00 176.95 171.68 2c9i s GLU 91 N -2.10 0.44 -0.06 3.25 2.02 -0.50 -0.47 118.70 121.29 2c9i s GLU 91 Ca 0.01 -0.49 -0.08 0.00 0.02 0.00 0.00 54.97 54.43 2c9i s GLU 91 Cb -0.08 -0.29 0.02 0.00 0.10 0.00 0.00 34.13 33.88 2c9i s GLU 91 CO 0.02 0.06 0.20 0.50 0.02 0.00 0.00 175.26 176.07 2c9i s ARG 92 N -0.94 0.32 -0.15 1.61 3.52 -0.36 -0.33 118.95 122.63 2c9i s ARG 92 Ca -0.05 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.68 2c9i s ARG 92 Cb -0.06 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 2c9i s ARG 92 CO 0.00 -0.06 -0.18 0.08 -0.81 0.00 0.00 175.30 174.34 2c9i s VAL 93 N -0.28 2.47 -0.29 7.11 1.01 -0.70 -1.33 120.40 128.39 2c9i s VAL 93 Ca -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 2c9i s VAL 93 Cb -0.03 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.37 2c9i s VAL 93 CO 0.01 0.53 0.00 -0.44 0.00 0.00 0.00 175.10 175.20 2c9i s SER 94 N 0.76 4.81 -0.34 3.32 0.01 -0.60 -1.82 113.70 119.83 2c9i s SER 94 Ca -0.07 -1.13 -0.09 0.00 1.31 0.00 0.00 55.95 55.98 2c9i s SER 94 Cb -0.16 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.37 2c9i s SER 94 CO 0.00 -0.23 0.15 -0.89 0.41 0.00 0.00 173.24 172.68 2c9i s THR 95 N 1.30 4.27 0.33 1.44 2.01 -0.34 -1.36 115.64 123.30 2c9i s THR 95 Ca -0.03 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.93 2c9i s THR 95 Cb -0.19 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 2c9i s THR 95 CO -0.01 -0.12 0.86 -0.31 -0.69 0.00 0.00 174.62 174.35 2c9i s TYR 96 N 1.52 3.51 0.42 4.92 2.02 0.64 -0.98 117.35 129.39 2c9i s TYR 96 Ca 0.02 1.55 0.39 0.00 -0.37 0.00 0.00 57.07 58.66 2c9i s TYR 96 Cb -0.19 -2.77 2.05 0.00 -0.40 0.00 0.00 41.96 40.66 2c9i s TYR 96 CO 0.05 0.12 2.20 1.05 -1.57 0.00 0.00 175.55 177.40 2c9i h GLU 97 N 2.67 0.00 -0.36 -0.62 4.11 -1.64 -2.06 114.58 116.69 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 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2c9i n ASP 98 N -2.95 3.37 0.00 3.06 3.85 -1.26 -4.97 116.55 117.64 2c9i n ASP 98 Ca -0.02 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 2c9i n ASP 98 Cb 0.11 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 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 1.41 2.19 3.75 6.12 0.00 -0.77 -4.59 105.19 113.30 2c9i n GLY 99 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.96 2.65 -0.09 -0.02 0.00 -1.18 -4.57 107.32 102.14 2c9i s GLY 100 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 44.72 45.97 2c9i s GLY 100 CO 0.00 2.07 -0.09 0.14 0.00 0.00 0.00 173.10 175.22 2c9i s VAL 101 N -0.47 1.02 -0.28 1.40 1.01 -0.70 -0.26 120.40 122.11 2c9i s VAL 101 Ca 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2c9i s VAL 101 Cb -0.40 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.03 2c9i s VAL 101 CO 0.46 0.35 -0.03 -0.22 0.00 0.00 0.00 175.10 175.66 2c9i s LEU 102 N 1.31 3.63 0.02 3.92 1.98 -0.46 -1.41 118.68 127.68 2c9i s LEU 102 Ca -0.03 -1.16 -0.12 0.00 -2.89 0.00 0.00 54.13 49.93 2c9i s LEU 102 Cb -0.14 -1.68 -0.06 0.00 0.66 0.00 0.00 46.19 44.98 2c9i s LEU 102 CO -0.04 -0.21 0.38 -0.44 -1.89 0.00 0.00 176.35 174.15 2c9i s SER 103 N 1.26 6.69 -0.03 3.68 0.01 0.32 -1.56 113.70 124.08 2c9i s SER 103 Ca -0.04 0.84 -0.07 0.00 1.31 0.00 0.00 55.95 57.99 2c9i s SER 103 Cb -0.19 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2c9i s SER 103 CO -0.02 0.27 0.16 0.00 0.41 0.00 0.00 173.24 174.05 2c9i s ALA 104 N -1.22 -0.39 0.01 1.44 0.00 -0.44 -0.55 121.76 120.62 2c9i s ALA 104 Ca 0.27 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2c9i s ALA 104 Cb -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2c9i s ALA 104 CO 0.15 -0.15 -0.06 -0.08 0.00 0.00 0.00 175.76 175.62 2c9i s THR 105 N -0.65 0.48 -0.08 0.00 -1.32 -0.26 -1.22 115.64 112.59 2c9i s THR 105 Ca -0.07 -0.52 -0.10 0.00 -1.21 0.00 0.00 61.69 59.79 2c9i s THR 105 Cb -0.04 -0.46 0.02 0.00 -1.51 0.00 0.00 72.50 70.51 2c9i s THR 105 CO 0.01 -0.05 0.26 -1.58 -2.21 0.00 0.00 174.62 171.05 2c9i s GLN 106 N -0.62 0.37 -0.10 7.08 -0.44 0.38 -0.40 119.66 125.92 2c9i s GLN 106 Ca -0.02 0.23 0.04 0.00 -2.50 0.00 0.00 55.36 53.11 2c9i s GLN 106 Cb -0.05 0.17 0.00 0.00 -1.64 0.00 0.00 33.01 31.50 2c9i s GLN 106 CO 0.00 -0.06 -0.23 -2.00 0.50 0.00 0.00 175.29 173.49 2c9i s GLU 107 N -0.18 3.01 -0.11 1.67 2.12 -0.29 -1.50 118.70 123.43 2c9i s GLU 107 Ca -0.03 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.46 2c9i s GLU 107 Cb -0.03 -2.30 -0.00 0.00 0.26 0.00 0.00 34.13 32.06 2c9i s GLU 107 CO 0.01 0.15 -0.21 0.99 -0.54 0.00 0.00 175.26 175.66 2c9i s THR 108 N 0.41 2.37 0.28 -1.70 2.01 0.12 -1.29 115.64 117.84 2c9i s THR 108 Ca -0.17 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 60.95 2c9i s THR 108 Cb -0.18 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 2c9i s THR 108 CO 0.07 0.55 0.19 -0.94 -0.69 0.00 0.00 174.62 173.80 2c9i s SER 109 N 0.34 1.10 -0.05 3.53 1.04 -0.55 -1.40 113.70 117.70 2c9i s SER 109 Ca -0.16 -1.56 -0.00 0.00 0.48 0.00 0.00 55.95 54.70 2c9i s SER 109 Cb -0.17 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.41 2c9i s SER 109 CO 0.08 -0.92 -0.01 -0.22 0.98 0.00 0.00 173.24 173.15 2c9i s LEU 110 N -3.30 0.93 -0.19 2.42 2.96 -1.26 -1.26 118.68 118.98 2c9i s LEU 110 Ca 0.38 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2c9i s LEU 110 Cb 0.05 -0.38 0.05 0.00 0.50 0.00 0.00 46.19 46.41 2c9i s LEU 110 CO 0.19 -0.13 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.97 2c9i s GLN 111 N 1.44 1.16 8.00 1.98 -0.21 -0.74 -4.99 119.66 126.28 2c9i s GLN 111 Ca -0.03 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.78 2c9i s GLN 111 Cb -0.13 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2c9i s GLN 111 CO -0.03 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 2c9i n GLY 112 N 4.90 3.62 1.17 3.09 0.00 -1.26 -1.45 105.19 115.27 2c9i n GLY 112 Ca -0.11 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2c9i n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c9i n ASP 113 N 9.00 3.91 -4.46 1.61 5.75 -1.26 -4.95 116.55 126.15 2c9i n ASP 113 Ca 0.00 -2.25 -0.38 0.00 -0.01 0.00 0.00 54.79 52.14 2c9i n ASP 113 Cb 0.00 -0.45 -0.12 0.00 -1.03 0.00 0.00 41.12 39.53 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 1.63 4.73 -0.18 0.00 1.01 0.53 -1.80 121.20 127.13 2c9i s ILE 115 Ca 0.05 0.54 -0.08 0.00 0.00 0.00 0.00 60.65 61.16 2c9i s ILE 115 Cb -0.17 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2c9i s ILE 115 CO 0.07 -0.56 0.09 0.27 0.00 0.00 0.00 174.94 174.81 2c9i s ILE 116 N 3.09 5.08 -0.09 2.92 -5.25 -0.39 -0.96 121.20 125.60 2c9i s ILE 116 Ca 0.28 0.07 0.03 0.00 -0.99 0.00 0.00 60.65 60.05 2c9i s ILE 116 Cb -0.13 -3.29 0.00 0.00 2.95 0.00 0.00 42.46 41.99 2c9i s ILE 116 CO 0.19 0.47 -0.20 0.00 -1.79 0.00 0.00 174.94 173.61 2c9i s LYS 118 N 0.42 2.70 -0.07 0.00 -0.14 -0.41 -1.30 119.74 120.95 2c9i s LYS 118 Ca -0.17 -1.04 0.04 0.00 -1.36 0.00 0.00 55.97 53.44 2c9i s LYS 118 Cb -0.17 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.19 2c9i s LYS 118 CO 0.07 -0.38 -0.19 0.08 -0.76 0.00 0.00 175.35 174.17 2c9i s VAL 119 N 1.23 2.59 -0.06 3.17 1.01 -0.02 -1.13 120.40 127.20 2c9i s VAL 119 Ca -0.01 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2c9i s VAL 119 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2c9i s VAL 119 CO -0.08 0.57 -0.24 -0.54 0.00 0.00 0.00 175.10 174.80 2c9i s LYS 120 N -0.27 2.53 -0.03 2.72 1.02 0.47 -1.96 119.74 124.22 2c9i s LYS 120 Ca 0.01 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.13 2c9i s LYS 120 Cb -0.13 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2c9i s LYS 120 CO 0.03 0.41 -0.11 0.08 -0.92 0.00 0.00 175.35 174.83 2c9i s VAL 121 N -0.22 0.92 -0.18 3.17 1.01 -0.28 -1.10 120.40 123.71 2c9i s VAL 121 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2c9i s VAL 121 Cb -0.13 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.52 2c9i s VAL 121 CO 0.03 0.28 0.13 -0.22 0.00 0.00 0.00 175.10 175.32 2c9i s LEU 122 N 0.07 0.20 -0.06 3.92 0.20 0.29 -1.71 118.68 121.58 2c9i s LEU 122 Ca -0.02 -0.49 0.05 0.00 0.69 0.00 0.00 54.13 54.36 2c9i s LEU 122 Cb -0.08 -0.04 -0.02 0.00 -0.43 0.00 0.00 46.19 45.62 2c9i s LEU 122 CO 0.01 -0.34 -0.21 -0.83 -0.29 0.00 0.00 176.35 174.68 2c9i s GLY 123 N 2.20 1.39 0.20 7.98 0.00 0.48 -0.52 107.32 119.05 2c9i s GLY 123 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 2c9i s GLY 123 CO -0.10 -0.62 0.15 -0.51 0.00 0.00 0.00 173.10 172.02 2c9i s THR 124 N -0.24 0.00 -1.66 0.90 -4.23 -0.50 -1.65 115.64 108.26 2c9i s THR 124 Ca -0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2c9i s THR 124 Cb -0.13 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2c9i s THR 124 CO 0.03 -0.02 0.00 0.59 -0.54 0.00 0.00 174.62 174.68 2c9i n ASN 125 N -0.27 -5.34 -4.72 3.99 4.13 -1.26 -1.72 115.26 110.06 2c9i n ASN 125 Ca 0.01 0.39 -0.42 0.00 1.68 0.00 0.00 54.58 56.24 2c9i n ASN 125 Cb 0.66 -4.22 -0.03 0.00 -1.54 0.00 0.00 39.78 34.64 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 -2.43 3.30 0.18 3.10 0.40 -1.26 -3.10 117.98 118.16 2c9i s PHE 126 Ca 0.00 1.13 -0.33 0.00 -0.60 0.00 0.00 56.93 57.13 2c9i s PHE 126 Cb 0.00 -3.59 -0.13 0.00 0.51 0.00 0.00 43.02 39.80 2c9i s PHE 126 CO 0.00 -1.95 1.60 -2.30 0.70 0.00 0.00 175.22 173.26 2c9i n PRO 127 N 3.44 2.27 0.09 0.24 -0.02 -1.26 -4.87 135.00 134.89 2c9i n PRO 127 Ca 0.09 0.82 0.06 0.00 -2.02 0.00 0.00 63.50 62.45 2c9i n PRO 127 Cb 0.43 -2.60 0.51 0.00 -0.02 0.00 0.00 33.50 31.83 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 5.96 1.85 -0.52 3.55 0.00 -1.99 -2.19 119.26 125.93 2c9i h ALA 128 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2c9i h ALA 128 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2c9i h ALA 128 CO 0.89 0.13 0.00 0.09 0.00 0.00 0.00 179.25 180.36 2c9i n ASN 129 N -4.50 3.70 -4.88 0.00 3.02 -1.26 -4.51 115.26 106.83 2c9i n ASN 129 Ca 0.01 -2.18 -0.29 0.00 -0.03 0.00 0.00 54.58 52.09 2c9i n ASN 129 Cb 0.10 -0.41 0.09 0.00 -0.61 0.00 0.00 39.78 38.95 2c9i n ASN 129 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2c9i s GLY 130 N -1.07 1.59 0.51 7.41 0.00 -0.82 -4.87 107.32 110.08 2c9i s GLY 130 Ca 0.38 -0.58 0.21 0.00 0.00 0.00 0.00 44.72 44.74 2c9i s GLY 130 CO 0.22 -0.09 2.10 -0.56 0.00 0.00 0.00 173.10 174.77 2c9i h PRO 131 N -1.08 0.00 0.19 2.90 0.13 -1.92 -1.98 132.00 130.23 2c9i h PRO 131 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.65 0.10 -0.09 0.28 -0.23 0.00 0.00 178.00 178.70 2c9i h VAL 132 N 0.00 0.88 0.00 1.56 2.07 -1.92 0.31 116.25 119.15 2c9i h VAL 132 Ca -0.00 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2c9i h VAL 132 Cb 0.20 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2c9i h VAL 132 CO 0.01 0.19 -0.26 0.24 0.02 0.00 0.00 177.57 177.77 2c9i h MET 133 N -0.74 0.00 -0.20 1.57 2.86 -1.74 0.11 114.93 116.79 2c9i h MET 133 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2c9i h MET 133 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2c9i h MET 133 CO 0.04 0.26 0.00 1.04 1.06 0.00 0.00 176.91 179.32 2c9i n GLN 134 N -3.31 1.98 -3.59 1.72 1.13 -0.75 -4.59 117.38 109.98 2c9i n GLN 134 Ca 0.01 -1.47 -0.25 0.00 -1.94 0.00 0.00 57.00 53.35 2c9i n GLN 134 Cb 0.51 -1.44 0.05 0.00 0.11 0.00 0.00 30.24 29.47 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 0.71 -2.30 -1.56 -1.09 5.02 -0.88 -4.94 118.16 113.12 2c9i n LYS 135 Ca 0.17 0.59 -0.15 0.00 -2.02 0.00 0.00 58.31 56.90 2c9i n LYS 135 Cb 0.43 -4.77 0.08 0.00 -0.02 0.00 0.00 35.03 30.75 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 -3.98 2.96 -4.16 1.97 5.02 0.10 -4.99 118.16 115.09 2c9i n LYS 136 Ca -0.14 -3.87 -0.27 0.00 -2.02 0.00 0.00 58.31 52.02 2c9i n LYS 136 Cb 0.62 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 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 -4.18 3.97 -0.16 -0.18 -4.23 -1.26 -0.86 115.64 108.74 2c9i s THR 137 Ca 0.48 -1.30 0.18 0.00 -1.18 0.00 0.00 61.69 59.87 2c9i s THR 137 Cb 0.40 -3.00 0.45 0.00 1.34 0.00 0.00 72.50 71.69 2c9i s THR 137 CO 0.01 -0.10 1.17 0.00 -0.54 0.00 0.00 174.62 175.16 2c9i n GLY 139 N -0.37 -0.40 3.84 0.00 0.00 -1.26 -4.76 105.19 102.25 2c9i n GLY 139 Ca 0.16 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.74 3.43 0.79 1.61 0.52 -1.26 -1.18 118.94 120.11 2c9i s TRP 140 Ca 0.00 1.21 -0.11 0.00 0.02 0.00 0.00 56.10 57.22 2c9i s TRP 140 Cb 0.00 -2.52 0.07 0.00 -1.15 0.00 0.00 33.47 29.87 2c9i s TRP 140 CO 0.00 0.16 1.09 -1.21 0.02 0.00 0.00 176.95 177.01 2c9i s GLU 141 N -2.75 2.14 0.81 4.98 0.41 -0.53 -4.84 118.70 118.93 2c9i s GLU 141 Ca 0.51 0.99 -0.12 0.00 -0.41 0.00 0.00 54.97 55.93 2c9i s GLU 141 Cb -0.12 -1.90 0.08 0.00 -1.78 0.00 0.00 34.13 30.42 2c9i s GLU 141 CO 0.18 -1.67 1.15 -1.25 -0.49 0.00 0.00 175.26 173.19 2c9i s PRO 142 N -4.97 1.76 0.25 0.39 0.04 -1.26 -4.73 135.00 126.48 2c9i s PRO 142 Ca 0.61 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 2c9i s PRO 142 Cb -0.16 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2c9i s PRO 142 CO 0.56 -2.07 0.35 -1.54 0.04 0.00 0.00 177.00 174.33 2c9i s SER 143 N -2.60 0.19 -0.08 6.66 1.04 -0.70 -4.84 113.70 113.37 2c9i s SER 143 Ca 0.68 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.93 2c9i s SER 143 Cb -0.24 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2c9i s SER 143 CO 0.52 -1.05 -0.10 0.28 0.98 0.00 0.00 173.24 173.87 2c9i s THR 144 N -3.91 1.03 -0.05 2.02 -1.32 -1.26 -0.16 115.64 111.99 2c9i s THR 144 Ca 0.30 -0.38 -0.04 0.00 -1.21 0.00 0.00 61.69 60.36 2c9i s THR 144 Cb 0.02 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 2c9i s THR 144 CO 0.12 0.34 0.16 -0.70 -2.21 0.00 0.00 174.62 172.33 2c9i s GLU 145 N 1.01 3.40 -0.23 7.08 2.12 0.16 -4.68 118.70 127.57 2c9i s GLU 145 Ca -0.08 -0.27 -0.15 0.00 0.36 0.00 0.00 54.97 54.83 2c9i s GLU 145 Cb -0.15 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2c9i s GLU 145 CO -0.00 0.71 0.35 0.99 -0.54 0.00 0.00 175.26 176.76 2c9i s THR 146 N -1.20 5.22 -0.35 -1.70 2.01 0.31 -0.70 115.64 119.23 2c9i s THR 146 Ca 0.22 0.57 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 2c9i s THR 146 Cb -0.12 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2c9i s THR 146 CO 0.13 0.24 0.24 -0.69 -0.69 0.00 0.00 174.62 173.85 2c9i s VAL 147 N 1.50 5.16 -0.15 3.82 1.01 0.42 -1.58 120.40 130.58 2c9i s VAL 147 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2c9i s VAL 147 Cb -0.15 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2c9i s VAL 147 CO 0.08 -0.08 -0.15 -0.63 0.00 0.00 0.00 175.10 174.32 2c9i s ILE 148 N 1.69 2.72 0.20 2.22 1.01 0.14 -2.18 121.20 127.00 2c9i s ILE 148 Ca 0.05 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2c9i s ILE 148 Cb -0.18 -2.14 -0.08 0.00 0.01 0.00 0.00 42.46 40.07 2c9i s ILE 148 CO 0.10 0.52 1.19 -2.16 0.00 0.00 0.00 174.94 174.58 2c9i s PRO 149 N 0.69 4.51 -0.24 2.79 0.04 -1.26 0.36 135.00 141.89 2c9i s PRO 149 Ca -0.07 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 2c9i s PRO 149 Cb -0.16 -3.23 0.13 0.00 0.04 0.00 0.00 34.50 31.28 2c9i s PRO 149 CO 0.02 -0.05 0.45 0.50 0.04 0.00 0.00 177.00 177.95 2c9i s ARG 150 N -0.39 0.39 -0.36 4.56 3.52 -0.05 -4.84 118.95 121.78 2c9i s ARG 150 Ca 0.52 0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 56.87 2c9i s ARG 150 Cb -0.33 0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.17 2c9i s ARG 150 CO 0.37 -0.45 0.36 -0.40 -0.81 0.00 0.00 175.30 174.37 2c9i n ASP 151 N 5.39 -2.92 0.00 -2.12 5.75 -1.26 -1.71 116.55 119.68 2c9i n ASP 151 Ca -0.06 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 2c9i n ASP 151 Cb 0.50 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.60 2.89 0.00 6.12 0.00 -1.26 -4.90 105.19 107.44 2c9i n GLY 152 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2c9i n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 153 N -1.99 5.48 3.20 -0.02 0.00 -0.69 -4.69 105.19 106.47 2c9i n GLY 153 Ca 0.00 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 2.24 -0.17 0.99 1.02 -1.03 -0.87 118.68 120.87 2c9i s LEU 154 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 53.59 2c9i s LEU 154 Cb 0.00 -0.68 0.02 0.00 0.02 0.00 0.00 46.19 45.55 2c9i s LEU 154 CO 0.00 0.02 -0.18 -0.22 0.02 0.00 0.00 176.35 175.99 2c9i s LEU 155 N -1.53 1.97 -0.15 1.79 2.96 0.16 -1.20 118.68 122.67 2c9i s LEU 155 Ca 0.02 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2c9i s LEU 155 Cb -0.09 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2c9i s LEU 155 CO 0.02 -0.01 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.22 2c9i s LEU 156 N 1.33 3.12 -0.02 -0.68 1.02 0.88 -0.68 118.68 123.64 2c9i s LEU 156 Ca 0.04 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.06 2c9i s LEU 156 Cb -0.13 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 2c9i s LEU 156 CO -0.11 0.16 -0.19 -0.13 0.02 0.00 0.00 176.35 176.10 2c9i s ARG 157 N 0.41 1.55 0.08 1.70 0.52 -0.62 -0.63 118.95 121.97 2c9i s ARG 157 Ca -0.05 -0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 54.34 2c9i s ARG 157 Cb -0.15 -1.49 0.03 0.00 0.52 0.00 0.00 34.95 33.86 2c9i s ARG 157 CO 0.03 0.40 0.35 0.34 0.02 0.00 0.00 175.30 176.44 2c9i s ASP 158 N -0.41 -0.16 -0.56 0.23 -1.08 -0.79 -0.53 116.67 113.36 2c9i s ASP 158 Ca 0.07 -0.26 0.07 0.00 -0.52 0.00 0.00 52.55 51.90 2c9i s ASP 158 Cb -0.08 0.41 0.25 0.00 -1.46 0.00 0.00 42.92 42.04 2c9i s ASP 158 CO -0.01 -0.73 0.67 1.07 0.52 0.00 0.00 175.17 176.70 2c9i n THR 159 N 0.18 1.36 -2.21 1.71 5.66 -1.26 -0.66 114.28 119.06 2c9i n THR 159 Ca -0.17 -4.82 -0.37 0.00 -3.05 0.00 0.00 64.05 55.63 2c9i n THR 159 Cb 0.61 -2.05 -0.01 0.00 -1.55 0.00 0.00 70.33 67.34 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 -2.04 3.76 -0.15 1.09 0.04 -1.15 -4.79 135.00 131.76 2c9i s PRO 160 Ca 0.38 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 2c9i s PRO 160 Cb 0.15 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2c9i s PRO 160 CO -0.05 -0.57 -0.08 0.00 0.04 0.00 0.00 177.00 176.34 2c9i s ALA 161 N -1.48 2.80 -0.27 8.56 0.00 -1.26 -2.04 121.76 128.07 2c9i s ALA 161 Ca 0.63 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2c9i s ALA 161 Cb -0.31 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 2c9i s ALA 161 CO 0.37 0.19 0.18 -1.17 0.00 0.00 0.00 175.76 175.33 2c9i s LEU 162 N 0.43 4.04 0.38 0.00 2.96 0.13 -1.45 118.68 125.17 2c9i s LEU 162 Ca -0.07 0.02 -0.27 0.00 -0.22 0.00 0.00 54.13 53.60 2c9i s LEU 162 Cb -0.15 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 2c9i s LEU 162 CO 0.04 -0.01 1.26 -0.04 -1.32 0.00 0.00 176.35 176.28 2c9i s MET 163 N 1.54 4.12 0.30 1.98 -1.94 -0.32 -0.74 119.30 124.23 2c9i s MET 163 Ca 0.07 2.08 0.10 0.00 -1.71 0.00 0.00 55.69 56.23 2c9i s MET 163 Cb -0.15 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 2c9i s MET 163 CO 0.09 -0.34 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.17 2c9i s LEU 164 N -2.23 2.88 0.44 -0.03 1.43 -0.69 -0.10 118.68 120.37 2c9i s LEU 164 Ca 0.54 -0.92 0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2c9i s LEU 164 Cb -0.36 -1.34 0.96 0.00 0.03 0.00 0.00 46.19 45.47 2c9i s LEU 164 CO 0.47 -0.06 2.03 0.00 0.23 0.00 0.00 176.35 179.02 2c9i h ALA 165 N 2.02 1.72 0.00 4.21 0.00 -1.31 -2.38 119.26 123.52 2c9i h ALA 165 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2c9i h ALA 165 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2c9i h ALA 165 CO 0.63 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 2c9i n ASP 166 N -4.41 0.18 0.00 0.00 5.68 -1.26 -4.90 116.55 111.83 2c9i n ASP 166 Ca -0.00 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 2c9i n ASP 166 Cb 0.15 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 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 1.37 0.51 0.00 6.12 0.00 -0.89 -5.09 105.19 107.21 2c9i n GLY 167 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.36 0.38 3.06 -0.02 0.00 -1.26 -4.81 105.19 101.17 2c9i n GLY 168 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 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 0.48 0.74 -0.19 1.61 3.76 -1.26 -1.70 115.29 118.73 2c9i s HIS 169 Ca 0.00 -0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2c9i s HIS 169 Cb 0.00 -0.44 0.01 0.00 1.11 0.00 0.00 32.58 33.26 2c9i s HIS 169 CO 0.00 -0.04 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.52 2c9i s LEU 170 N -1.19 2.32 0.17 0.89 2.96 0.08 -4.93 118.68 118.98 2c9i s LEU 170 Ca -0.05 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 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 -0.00 0.21 -0.44 -1.32 0.00 0.00 176.35 174.80 2c9i s SER 171 N 1.33 5.88 0.06 3.68 0.01 -1.26 0.20 113.70 123.59 2c9i s SER 171 Ca 0.05 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2c9i s SER 171 Cb -0.13 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 2c9i s SER 171 CO -0.10 0.05 -0.05 0.00 0.41 0.00 0.00 173.24 173.54 2c9i s PHE 173 N -2.73 3.39 -0.13 0.00 2.99 -0.16 -2.95 117.98 118.39 2c9i s PHE 173 Ca -0.00 0.41 -0.03 0.00 0.00 0.00 0.00 56.93 57.31 2c9i s PHE 173 Cb -0.01 -2.30 -0.03 0.00 0.00 0.00 0.00 43.02 40.68 2c9i s PHE 173 CO -0.04 0.16 -0.03 -1.64 -0.00 0.00 0.00 175.22 173.67 2c9i s MET 174 N 0.77 3.47 -0.15 0.44 -1.94 0.17 -1.20 119.30 120.85 2c9i s MET 174 Ca 0.12 -0.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 2c9i s MET 174 Cb -0.13 -2.88 0.04 0.00 2.01 0.00 0.00 34.83 33.88 2c9i s MET 174 CO 0.03 0.38 -0.01 -1.21 -0.01 0.00 0.00 175.02 174.20 2c9i s GLU 175 N -0.00 1.01 -0.10 2.03 2.02 -0.76 -1.89 118.70 121.01 2c9i s GLU 175 Ca 0.01 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 54.67 2c9i s GLU 175 Cb -0.13 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.29 2c9i s GLU 175 CO 0.02 -0.47 -0.15 0.99 0.02 0.00 0.00 175.26 175.67 2c9i s THR 176 N 1.78 1.46 -0.06 3.63 2.01 0.20 -1.72 115.64 122.93 2c9i s THR 176 Ca 0.01 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 2c9i s THR 176 Cb -0.15 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2c9i s THR 176 CO -0.07 0.43 0.10 0.42 -0.69 0.00 0.00 174.62 174.81 2c9i s THR 177 N 0.87 5.01 -0.07 -0.82 -4.23 0.55 -0.08 115.64 116.87 2c9i s THR 177 Ca -0.09 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 2c9i s THR 177 Cb -0.15 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2c9i s THR 177 CO 0.00 0.49 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.07 2c9i s TYR 178 N -1.10 2.04 -0.08 3.99 1.51 -0.34 -1.41 117.35 121.97 2c9i s TYR 178 Ca 0.19 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 2c9i s TYR 178 Cb -0.12 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 2c9i s TYR 178 CO 0.09 -0.29 -0.11 0.21 -1.11 0.00 0.00 175.55 174.34 2c9i s LYS 179 N 0.29 1.62 0.11 -0.62 2.20 -0.20 -2.45 119.74 120.69 2c9i s LYS 179 Ca -0.12 -0.36 -0.15 0.00 -0.36 0.00 0.00 55.97 54.98 2c9i s LYS 179 Cb -0.15 -1.43 -0.07 0.00 -1.51 0.00 0.00 37.83 34.67 2c9i s LYS 179 CO 0.05 -0.06 0.52 0.45 -0.36 0.00 0.00 175.35 175.95 2c9i s SER 180 N 0.97 6.85 0.18 1.43 0.15 -1.26 -1.23 113.70 120.78 2c9i s SER 180 Ca -0.09 1.06 -0.08 0.00 0.70 0.00 0.00 55.95 57.54 2c9i s SER 180 Cb -0.15 -2.28 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 2c9i s SER 180 CO 0.00 0.17 1.57 0.11 1.20 0.00 0.00 173.24 176.30 2c9i h LYS 181 N 3.91 0.93 -6.63 5.44 1.79 -1.58 -3.44 116.57 116.99 2c9i h LYS 181 Ca -0.49 -0.40 -0.68 0.00 -2.18 0.00 0.00 60.65 56.90 2c9i h LYS 181 Cb 1.20 -0.03 -0.20 0.00 -1.58 0.00 0.00 32.23 31.61 2c9i h LYS 181 CO 0.65 1.06 -0.80 0.15 -1.08 0.00 0.00 179.45 179.42 2c9i s LYS 182 N -4.64 1.96 0.25 3.15 -0.14 -1.26 -5.06 119.74 113.98 2c9i s LYS 182 Ca -0.11 -1.06 -0.31 0.00 -1.36 0.00 0.00 55.97 53.13 2c9i s LYS 182 Cb 0.12 -2.16 -0.11 0.00 -1.68 0.00 0.00 37.83 34.00 2c9i s LYS 182 CO 0.86 0.51 1.62 -2.00 -0.76 0.00 0.00 175.35 175.59 2c9i s GLU 183 N -1.75 4.14 0.25 1.68 2.12 -1.26 -4.95 118.70 118.94 2c9i s GLU 183 Ca 0.16 2.54 0.02 0.00 0.36 0.00 0.00 54.97 58.06 2c9i s GLU 183 Cb -0.11 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2c9i s GLU 183 CO 0.07 -0.65 0.05 0.14 -0.54 0.00 0.00 175.26 174.33 2c9i s VAL 184 N 0.51 0.83 -0.42 3.70 -7.23 -1.26 -5.06 120.40 111.46 2c9i s VAL 184 Ca 0.67 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 2c9i s VAL 184 Cb -0.47 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 33.96 2c9i s VAL 184 CO 0.40 -0.15 0.98 -0.54 -0.31 0.00 0.00 175.10 175.49 2c9i s LYS 185 N -3.94 3.74 0.25 4.82 1.02 -1.26 -5.02 119.74 119.34 2c9i s LYS 185 Ca 0.33 0.48 -0.30 0.00 0.02 0.00 0.00 55.97 56.51 2c9i s LYS 185 Cb 0.07 -3.86 -0.09 0.00 -0.52 0.00 0.00 37.83 33.43 2c9i s LYS 185 CO 0.11 -1.12 1.15 -0.51 -0.92 0.00 0.00 175.35 174.06 2c9i s LEU 186 N 3.78 4.51 0.78 3.17 1.02 -1.26 -4.69 118.68 125.98 2c9i s LEU 186 Ca 0.40 2.29 -0.12 0.00 0.02 0.00 0.00 54.13 56.73 2c9i s LEU 186 Cb -0.10 -3.62 0.06 0.00 0.02 0.00 0.00 46.19 42.55 2c9i s LEU 186 CO 0.24 -0.25 1.15 -2.16 0.02 0.00 0.00 176.35 175.34 2c9i s PRO 187 N -1.07 2.20 0.60 1.29 0.04 -1.26 -4.89 135.00 131.91 2c9i s PRO 187 Ca 0.48 0.19 -0.06 0.00 0.04 0.00 0.00 61.00 61.65 2c9i s PRO 187 Cb -0.33 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2c9i s PRO 187 CO 0.41 -1.44 0.91 -1.21 0.04 0.00 0.00 177.00 175.71 2c9i s GLU 188 N -5.51 2.86 0.15 4.56 2.02 -1.26 -4.50 118.70 117.02 2c9i s GLU 188 Ca 0.61 -0.03 -0.34 0.00 0.02 0.00 0.00 54.97 55.23 2c9i s GLU 188 Cb -0.11 -2.26 -0.15 0.00 0.10 0.00 0.00 34.13 31.71 2c9i s GLU 188 CO 0.50 -0.75 1.42 -0.11 0.02 0.00 0.00 175.26 176.34 2c9i n LEU 189 N -2.61 2.44 0.00 1.80 0.00 -1.26 -4.86 117.00 112.50 2c9i n LEU 189 Ca 0.05 1.11 0.00 0.00 0.00 0.00 0.00 56.01 57.17 2c9i n LEU 189 Cb 0.58 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.67 2c9i n LEU 189 CO 0.53 -0.69 0.00 0.00 0.00 0.00 0.00 177.39 177.23 2c9i n HIS 190 N 2.65 -0.45 -4.18 1.96 1.44 -0.93 -4.94 115.22 110.77 2c9i n HIS 190 Ca 0.16 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.69 2c9i n HIS 190 Cb 0.26 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.25 2c9i n HIS 190 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2c9i s PHE 191 N -5.27 1.25 -0.20 -1.40 0.08 -0.34 -0.44 117.98 111.67 2c9i s PHE 191 Ca 0.00 -0.47 -0.03 0.00 0.12 0.00 0.00 56.93 56.54 2c9i s PHE 191 Cb 0.00 -0.70 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 2c9i s PHE 191 CO 0.00 0.07 -0.05 -1.01 -0.10 0.00 0.00 175.22 174.13 2c9i s HIS 192 N -1.38 2.95 -0.33 0.36 3.76 0.13 -1.58 115.29 119.20 2c9i s HIS 192 Ca -0.00 -0.77 -0.12 0.00 -0.15 0.00 0.00 55.06 54.01 2c9i s HIS 192 Cb -0.09 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 2c9i s HIS 192 CO 0.02 -0.41 0.21 -1.01 -0.85 0.00 0.00 174.74 172.70 2c9i s HIS 193 N 1.14 3.21 0.13 1.40 0.09 0.49 0.39 115.29 122.16 2c9i s HIS 193 Ca 0.02 -0.29 0.10 0.00 -0.00 0.00 0.00 55.06 54.89 2c9i s HIS 193 Cb -0.15 -2.44 -0.04 0.00 -0.00 0.00 0.00 32.58 29.96 2c9i s HIS 193 CO -0.01 -0.37 -0.21 -0.51 -0.00 0.00 0.00 174.74 173.64 2c9i s LEU 194 N 1.69 2.58 -0.16 0.89 2.01 0.77 -1.50 118.68 124.96 2c9i s LEU 194 Ca 0.06 -0.65 -0.05 0.00 0.01 0.00 0.00 54.13 53.50 2c9i s LEU 194 Cb -0.17 -1.42 0.06 0.00 0.01 0.00 0.00 46.19 44.68 2c9i s LEU 194 CO 0.09 0.17 0.12 -0.60 1.01 0.00 0.00 176.35 177.14 2c9i s ARG 195 N -2.23 0.08 -0.21 1.70 3.52 -0.63 -1.72 118.95 119.46 2c9i s ARG 195 Ca 0.18 0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2c9i s ARG 195 Cb -0.10 -1.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.74 2c9i s ARG 195 CO 0.09 -0.63 -0.07 1.41 -0.81 0.00 0.00 175.30 175.30 2c9i s MET 196 N 2.19 3.34 -0.01 5.12 -2.45 -1.26 -1.98 119.30 124.25 2c9i s MET 196 Ca 0.03 -0.65 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 2c9i s MET 196 Cb -0.16 -2.93 -0.00 0.00 1.25 0.00 0.00 34.83 32.99 2c9i s MET 196 CO -0.09 -0.17 -0.05 -1.21 1.05 0.00 0.00 175.02 174.55 2c9i s GLU 197 N 1.37 0.46 -0.07 4.11 2.02 0.28 -4.53 118.70 122.33 2c9i s GLU 197 Ca 0.05 -0.18 -0.26 0.00 0.02 0.00 0.00 54.97 54.59 2c9i s GLU 197 Cb -0.14 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.61 2c9i s GLU 197 CO -0.04 0.10 0.85 0.15 0.02 0.00 0.00 175.26 176.34 2c9i s LYS 198 N -0.04 4.44 -0.24 1.61 1.02 -1.26 -0.40 119.74 124.87 2c9i s LYS 198 Ca 0.01 1.13 -0.02 0.00 0.02 0.00 0.00 55.97 57.11 2c9i s LYS 198 Cb -0.03 -3.49 -0.14 0.00 -0.52 0.00 0.00 37.83 33.65 2c9i s LYS 198 CO -0.00 -0.10 -0.23 1.28 -0.92 0.00 0.00 175.35 175.37 2c9i n LEU 199 N 4.28 2.69 -3.89 3.17 4.77 0.22 -4.98 117.00 123.26 2c9i n LEU 199 Ca 0.03 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2c9i n LEU 199 Cb 0.50 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 2c9i n LEU 199 CO 0.49 0.80 -0.37 0.20 -1.33 0.00 0.00 177.39 177.18 2c9i s ASN 200 N -6.48 0.20 -0.05 -1.43 0.01 -1.22 -4.99 114.94 100.97 2c9i s ASN 200 Ca -0.32 -0.03 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2c9i s ASN 200 Cb 0.09 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.74 2c9i s ASN 200 CO 0.51 0.01 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.40 2c9i s ILE 201 N 0.01 0.82 0.53 0.60 1.01 -1.26 -0.59 121.20 122.33 2c9i s ILE 201 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.15 2c9i s ILE 201 Cb -0.01 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 2c9i s ILE 201 CO -0.00 0.28 1.14 -0.94 0.00 0.00 0.00 174.94 175.42 2c9i s SER 202 N 0.68 5.74 0.13 3.58 1.04 0.68 -4.93 113.70 120.62 2c9i s SER 202 Ca -0.12 2.22 0.17 0.00 0.48 0.00 0.00 55.95 58.71 2c9i s SER 202 Cb -0.14 -2.59 0.76 0.00 0.10 0.00 0.00 66.02 64.15 2c9i s SER 202 CO 0.02 -1.21 1.54 -0.90 0.98 0.00 0.00 173.24 173.67 2c9i n ASP 203 N -1.20 0.32 -1.04 7.02 5.75 -1.26 -0.91 116.55 125.24 2c9i n ASP 203 Ca 0.11 0.59 0.12 0.00 -0.01 0.00 0.00 54.79 55.60 2c9i n ASP 203 Cb 0.50 -0.65 0.15 0.00 -1.03 0.00 0.00 41.12 40.09 2c9i n ASP 203 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2c9i n ASP 204 N -1.87 3.19 -1.93 -1.12 3.85 -1.26 -4.98 116.55 112.43 2c9i n ASP 204 Ca 0.02 -1.99 -0.19 0.00 -0.71 0.00 0.00 54.79 51.92 2c9i n ASP 204 Cb 0.17 -0.11 -0.04 0.00 -1.35 0.00 0.00 41.12 39.79 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 1.40 -0.56 0.18 2.11 8.01 -0.09 -4.65 117.44 123.84 2c9i n TRP 205 Ca 0.16 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.46 2c9i n TRP 205 Cb 0.60 -3.58 -0.16 0.00 -2.01 0.00 0.00 31.31 26.16 2c9i n TRP 205 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2c9i n LYS 206 N -2.70 0.54 -4.65 -0.99 4.01 -1.26 -4.71 118.16 108.39 2c9i n LYS 206 Ca -0.22 -0.16 -0.24 0.00 -0.51 0.00 0.00 58.31 57.18 2c9i n LYS 206 Cb 0.66 -1.52 -0.16 0.00 -0.51 0.00 0.00 35.03 33.50 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 -3.42 1.20 -0.09 -0.18 2.01 -1.26 -0.36 115.64 113.53 2c9i s THR 207 Ca -0.05 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 2c9i s THR 207 Cb 0.14 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.64 2c9i s THR 207 CO 0.90 0.36 0.22 0.54 -0.69 0.00 0.00 174.62 175.95 2c9i s VAL 208 N 0.33 -0.04 -0.18 3.82 0.11 -0.17 -0.23 120.40 124.04 2c9i s VAL 208 Ca -0.08 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.97 2c9i s VAL 208 Cb -0.13 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2c9i s VAL 208 CO 0.03 0.06 0.30 -0.70 -3.33 0.00 0.00 175.10 171.46 2c9i s GLU 209 N 1.17 4.22 -0.06 1.54 2.12 0.24 -0.58 118.70 127.35 2c9i s GLU 209 Ca -0.09 0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.35 2c9i s GLU 209 Cb -0.10 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.83 2c9i s GLU 209 CO -0.07 0.16 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.51 2c9i s GLN 210 N 0.72 1.82 0.14 4.30 0.74 -0.03 -0.61 119.66 126.74 2c9i s GLN 210 Ca 0.16 -0.52 0.10 0.00 0.05 0.00 0.00 55.36 55.15 2c9i s GLN 210 Cb -0.13 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.42 2c9i s GLN 210 CO 0.05 0.12 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.11 2c9i s HIS 211 N 0.38 2.41 -0.07 1.67 5.65 0.46 -0.31 115.29 125.48 2c9i s HIS 211 Ca -0.11 -0.32 -0.06 0.00 0.25 0.00 0.00 55.06 54.82 2c9i s HIS 211 Cb -0.14 -1.27 0.02 0.00 -1.18 0.00 0.00 32.58 30.01 2c9i s HIS 211 CO 0.04 0.40 0.18 -2.00 -0.65 0.00 0.00 174.74 172.70 2c9i s GLU 212 N -2.24 0.19 -0.07 2.88 2.12 -0.54 -0.56 118.70 120.49 2c9i s GLU 212 Ca 0.17 0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.85 2c9i s GLU 212 Cb -0.10 0.04 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 2c9i s GLU 212 CO 0.09 -0.06 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.41 2c9i s SER 213 N 0.38 2.69 -0.05 -1.70 0.01 -0.84 -1.53 113.70 112.66 2c9i s SER 213 Ca -0.02 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.80 2c9i s SER 213 Cb -0.04 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.27 2c9i s SER 213 CO -0.02 0.17 -0.10 -0.69 0.41 0.00 0.00 173.24 173.02 2c9i s VAL 214 N 0.12 0.94 -0.11 3.43 1.01 0.27 -1.61 120.40 124.45 2c9i s VAL 214 Ca -0.09 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2c9i s VAL 214 Cb -0.15 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2c9i s VAL 214 CO 0.05 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.55 2c9i s VAL 215 N 0.64 1.93 -0.15 2.92 1.01 -0.56 -1.30 120.40 124.89 2c9i s VAL 215 Ca -0.12 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 2c9i s VAL 215 Cb -0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2c9i s VAL 215 CO 0.02 0.53 0.13 0.00 0.00 0.00 0.00 175.10 175.79 2c9i s ALA 216 N 0.62 3.79 0.03 5.51 0.00 0.46 -0.38 121.76 131.79 2c9i s ALA 216 Ca -0.13 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 2c9i s ALA 216 Cb -0.17 -2.04 0.08 0.00 0.00 0.00 0.00 23.12 20.99 2c9i s ALA 216 CO 0.03 0.43 0.70 0.45 0.00 0.00 0.00 175.76 177.37 2c9i s SER 217 N -0.46 -0.57 0.99 0.00 0.15 -0.62 -4.33 113.70 108.87 2c9i s SER 217 Ca 0.12 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.98 2c9i s SER 217 Cb -0.12 0.53 0.18 0.00 -1.71 0.00 0.00 66.02 64.91 2c9i s SER 217 CO 0.02 -0.73 1.10 -0.31 1.20 0.00 0.00 173.24 174.52 2c9i s TYR 218 N -2.38 2.16 0.33 3.44 4.12 -1.26 -1.20 117.35 122.56 2c9i s TYR 218 Ca -0.04 0.93 -0.28 0.00 0.02 0.00 0.00 57.07 57.70 2c9i s TYR 218 Cb -0.01 -3.30 -0.13 0.00 -1.52 0.00 0.00 41.96 37.01 2c9i s TYR 218 CO -0.02 -2.83 1.26 0.45 0.02 0.00 0.00 175.55 174.43 2c9i n SER 219 N -4.12 2.56 0.19 2.29 2.88 -1.26 -4.87 113.62 111.28 2c9i n SER 219 Ca 0.05 1.20 0.07 0.00 -1.33 0.00 0.00 58.87 58.87 2c9i n SER 219 Cb 0.58 -1.45 0.17 0.00 -0.75 0.00 0.00 64.21 62.75 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 2.58 0.00 -6.30 -1.46 3.07 -2.00 -3.45 115.11 107.55 2c9i h GLN 220 Ca -0.45 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.75 2c9i h GLN 220 Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.82 2c9i h GLN 220 CO 0.63 0.27 0.24 0.54 0.09 0.00 0.00 178.83 180.60 2c9i s VAL 221 N -3.18 4.85 0.70 1.86 0.11 -1.26 -5.03 120.40 118.45 2c9i s VAL 221 Ca 0.04 1.80 -0.17 0.00 -2.93 0.00 0.00 61.98 60.73 2c9i s VAL 221 Cb 0.07 -4.20 0.01 0.00 -1.53 0.00 0.00 36.38 30.74 2c9i s VAL 221 CO 0.69 0.25 1.20 -2.65 -3.33 0.00 0.00 175.10 171.26 2c9i n PRO 222 N 3.51 0.78 -4.31 1.54 -0.02 -1.26 -5.04 135.00 130.19 2c9i n PRO 222 Ca 0.02 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 2c9i n PRO 222 Cb 0.51 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.60 5.01 0.19 2.55 0.15 -1.26 -5.02 113.70 113.72 2c9i s SER 223 Ca 0.79 -0.05 0.21 0.00 0.70 0.00 0.00 55.95 57.60 2c9i s SER 223 Cb -0.35 -1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.67 2c9i s SER 223 CO 0.45 0.28 1.04 0.11 1.20 0.00 0.00 173.24 176.31 2c9i h LYS 224 N 4.34 0.00 -0.33 5.44 1.79 -1.96 -3.36 116.57 122.48 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 0.57 0.08 0.00 1.28 -1.08 0.00 0.00 179.45 180.30 2c9i n LEU 225 N -2.77 3.23 -0.40 2.94 4.32 -1.26 -4.96 117.00 118.10 2c9i n LEU 225 Ca -0.02 -1.49 -0.04 0.00 -0.02 0.00 0.00 56.01 54.43 2c9i n LEU 225 Cb 0.62 -0.21 -0.01 0.00 -1.62 0.00 0.00 43.42 42.20 2c9i n LEU 225 CO 0.40 0.70 -0.05 0.61 -1.22 0.00 0.00 177.39 177.83 2c9i n GLY 226 N 1.29 0.55 3.85 -0.72 0.00 -1.26 -5.04 105.19 103.86 2c9i n GLY 226 Ca 0.17 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.19 3.44 -2.00 1.61 3.76 -1.26 -5.08 115.29 113.58 2c9i s HIS 227 Ca 0.00 1.13 0.10 0.00 -0.15 0.00 0.00 55.06 56.13 2c9i s HIS 227 Cb 0.00 -2.45 0.57 0.00 1.11 0.00 0.00 32.58 31.81 2c9i s HIS 227 CO 0.00 0.21 1.02 0.09 -0.85 0.00 0.00 174.74 175.20