#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7i s GLU 2 N 0.00 4.11 0.32 0.03 2.12 -1.26 -1.06 118.70 122.96 2c7i s GLU 2 Ca 0.00 0.33 0.08 0.00 0.36 0.00 0.00 54.97 55.74 2c7i s GLU 2 Cb 0.00 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 2c7i s GLU 2 CO 0.00 0.42 0.22 0.20 -0.54 0.00 0.00 175.26 175.56 2c7i s GLY 3 N -0.19 1.76 -0.29 -1.50 0.00 0.29 -4.19 107.32 103.20 2c7i s GLY 3 Ca 0.22 -1.67 -0.07 0.00 0.00 0.00 0.00 44.72 43.20 2c7i s GLY 3 CO 0.10 -1.62 0.09 0.50 0.00 0.00 0.00 173.10 172.17 2c7i s ARG 4 N -3.91 3.18 -0.60 2.90 0.52 -0.43 -1.57 118.95 119.04 2c7i s ARG 4 Ca 0.38 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 2c7i s ARG 4 Cb -0.05 -3.39 0.09 0.00 0.52 0.00 0.00 34.95 32.12 2c7i s ARG 4 CO 0.25 -0.42 0.75 -1.17 0.02 0.00 0.00 175.30 174.73 2c7i s LEU 5 N 1.53 5.18 -0.37 2.53 2.96 -0.71 -1.53 118.68 128.27 2c7i s LEU 5 Ca 0.03 -1.32 -0.18 0.00 -0.22 0.00 0.00 54.13 52.44 2c7i s LEU 5 Cb -0.17 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.19 2c7i s LEU 5 CO 0.03 -1.16 0.52 -0.76 -1.32 0.00 0.00 176.35 173.66 2c7i s LEU 6 N 2.93 4.45 -1.26 -0.68 1.43 -0.81 -2.03 118.68 122.71 2c7i s LEU 6 Ca 0.14 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2c7i s LEU 6 Cb -0.23 -2.57 0.17 0.00 0.03 0.00 0.00 46.19 43.60 2c7i s LEU 6 CO 0.07 -0.54 1.74 0.18 0.23 0.00 0.00 176.35 178.04 2c7i n LEU 7 N 5.79 6.25 -4.16 1.79 4.77 -1.26 -2.28 117.00 127.91 2c7i n LEU 7 Ca -0.05 -4.61 -0.34 0.00 -0.03 0.00 0.00 56.01 50.98 2c7i n LEU 7 Cb 0.49 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.92 2c7i n LEU 7 CO 0.46 1.21 -0.41 -0.22 -1.33 0.00 0.00 177.39 177.11 2c7i s LEU 8 N 0.25 3.47 0.05 2.23 2.96 -1.23 -5.01 118.68 121.39 2c7i s LEU 8 Ca 0.40 -1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.14 2c7i s LEU 8 Cb 0.06 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 2c7i s LEU 8 CO 0.01 -0.19 0.05 -1.83 -1.32 0.00 0.00 176.35 173.07 2c7i s GLU 9 N 1.25 0.60 -0.43 1.98 -1.05 -1.26 -4.59 118.70 115.19 2c7i s GLU 9 Ca -0.04 -0.93 0.05 0.00 -0.15 0.00 0.00 54.97 53.91 2c7i s GLU 9 Cb -0.18 0.23 0.19 0.00 -0.44 0.00 0.00 34.13 33.93 2c7i s GLU 9 CO -0.04 -0.14 0.47 0.25 0.95 0.00 0.00 175.26 176.75 2c7i n THR 10 N 0.52 -0.86 -0.16 1.83 -2.24 -1.26 -5.01 114.28 107.09 2c7i n THR 10 Ca -0.17 -3.07 0.17 0.00 -2.27 0.00 0.00 64.05 58.71 2c7i n THR 10 Cb 0.59 -1.14 0.54 0.00 -2.10 0.00 0.00 70.33 68.22 2c7i n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2c7i h PRO 11 N 5.10 0.34 0.00 -0.78 0.11 -1.95 0.31 132.00 135.14 2c7i h PRO 11 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2c7i h PRO 11 Cb 0.94 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2c7i h PRO 11 CO 0.33 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 2c7i n GLY 12 N -1.54 -1.40 2.45 -0.55 0.00 -1.26 -1.13 105.19 101.76 2c7i n GLY 12 Ca 0.15 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2c7i n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c7i s ASN 13 N -2.94 2.09 0.29 1.61 3.84 0.10 -4.97 114.94 114.96 2c7i s ASN 13 Ca 0.15 -2.88 0.00 0.00 0.21 0.00 0.00 52.86 50.34 2c7i s ASN 13 Cb 0.18 -0.52 0.51 0.00 -0.55 0.00 0.00 41.25 40.86 2c7i s ASN 13 CO 0.48 -0.20 1.89 0.74 -2.79 0.00 0.00 177.10 177.22 2c7i h THR 14 N 4.74 1.04 -0.38 -5.21 2.02 -1.75 -1.33 112.91 112.05 2c7i h THR 14 Ca 0.20 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2c7i h THR 14 Cb 0.92 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2c7i h THR 14 CO 0.37 0.19 0.09 0.03 0.37 0.00 0.00 175.52 176.57 2c7i h ARG 15 N 1.06 0.56 -0.03 6.66 3.08 -1.91 0.13 114.38 123.93 2c7i h ARG 15 Ca 0.42 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 60.15 2c7i h ARG 15 Cb 0.25 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.21 2c7i h ARG 15 CO -0.17 0.52 -0.90 1.98 -1.07 0.00 0.00 179.97 180.32 2c7i h MET 16 N 0.55 0.52 -0.33 0.04 4.05 -1.71 -2.71 114.93 115.34 2c7i h MET 16 Ca 0.13 -0.51 0.02 0.00 -0.28 0.00 0.00 59.70 59.06 2c7i h MET 16 Cb 0.21 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 2c7i h MET 16 CO -0.00 1.15 0.16 1.03 0.23 0.00 0.00 176.91 179.48 2c7i h SER 17 N 0.31 0.24 -0.55 1.39 0.87 -0.17 -1.53 113.55 114.11 2c7i h SER 17 Ca -0.08 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2c7i h SER 17 Cb 1.53 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.43 2c7i h SER 17 CO 0.16 0.18 0.23 -0.07 -0.53 0.00 0.00 176.83 176.80 2c7i h LEU 18 N 0.34 0.79 -1.38 2.23 3.38 -1.07 -2.30 115.31 117.31 2c7i h LEU 18 Ca 0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2c7i h LEU 18 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2c7i h LEU 18 CO -0.09 0.72 0.12 0.00 0.09 0.00 0.00 178.44 179.28 2c7i h ALA 19 N 1.40 1.51 -0.06 1.53 0.00 -1.09 -2.40 119.26 120.15 2c7i h ALA 19 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2c7i h ALA 19 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2c7i h ALA 19 CO -0.02 0.37 -0.06 1.88 0.00 0.00 0.00 179.25 181.42 2c7i h TYR 20 N 0.53 -0.16 -0.31 0.00 0.05 -0.71 -0.46 116.97 115.91 2c7i h TYR 20 Ca 0.13 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.97 2c7i h TYR 20 Cb 0.16 0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 2c7i h TYR 20 CO 0.01 -0.10 -0.00 -0.44 -1.05 0.00 0.00 178.16 176.57 2c7i h ASP 21 N -0.08 -0.13 -0.63 3.88 5.19 -1.31 -0.37 116.42 122.97 2c7i h ASP 21 Ca 0.05 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 2c7i h ASP 21 Cb 0.15 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 2c7i h ASP 21 CO -0.12 -0.03 0.36 -0.08 -3.12 0.00 0.00 179.24 176.25 2c7i h GLU 22 N 0.09 0.87 0.46 3.56 4.81 -1.32 -1.83 114.58 121.21 2c7i h GLU 22 Ca 0.15 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2c7i h GLU 22 Cb 0.20 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2c7i h GLU 22 CO -0.26 0.65 -0.23 0.00 -0.73 0.00 0.00 179.01 178.44 2c7i h ALA 23 N 1.18 -0.63 -0.08 2.92 0.00 -0.47 0.64 119.26 122.81 2c7i h ALA 23 Ca 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2c7i h ALA 23 Cb 0.02 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2c7i h ALA 23 CO -0.04 -0.86 -0.17 -0.84 0.00 0.00 0.00 179.25 177.35 2c7i h ILE 24 N -0.63 1.17 -0.17 0.00 3.07 -1.08 0.35 117.51 120.22 2c7i h ILE 24 Ca -0.06 -0.76 -0.09 0.00 1.55 0.00 0.00 64.86 65.49 2c7i h ILE 24 Cb 0.49 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 38.34 2c7i h ILE 24 CO 0.09 0.23 -0.26 0.22 -1.05 0.00 0.00 178.15 177.39 2c7i h TYR 25 N 0.13 0.59 0.00 0.16 3.20 -1.02 -2.80 116.97 117.22 2c7i h TYR 25 Ca 0.02 -0.20 -0.16 0.00 3.14 0.00 0.00 58.73 61.54 2c7i h TYR 25 Cb 0.38 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2c7i h TYR 25 CO 0.00 0.89 -0.78 0.00 -1.64 0.00 0.00 178.16 176.64 2c7i h ARG 26 N 0.12 0.00 0.00 1.82 3.08 -0.45 -3.17 114.38 115.78 2c7i h ARG 26 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2c7i h ARG 26 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2c7i h ARG 26 CO 0.06 0.72 -0.47 0.77 -1.07 0.00 0.00 179.97 179.97 2c7i h SER 27 N 0.00 0.00 -3.22 7.04 0.02 -0.40 -3.46 113.55 113.53 2c7i h SER 27 Ca -0.02 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 2c7i h SER 27 Cb 1.57 0.00 0.09 0.00 0.14 0.00 0.00 62.40 64.21 2c7i h SER 27 CO 0.09 0.47 0.70 0.33 -1.14 0.00 0.00 176.83 177.28 2c7i n PHE 28 N -3.85 2.54 -5.02 3.45 7.35 -1.06 -5.00 117.46 115.87 2c7i n PHE 28 Ca -0.01 0.41 -0.29 0.00 -0.76 0.00 0.00 57.45 56.80 2c7i n PHE 28 Cb 0.51 -2.50 -0.17 0.00 0.35 0.00 0.00 39.48 37.67 2c7i n PHE 28 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2c7i s GLN 29 N -1.08 2.38 -0.50 -4.13 -0.21 -1.26 -4.96 119.66 109.89 2c7i s GLN 29 Ca 0.61 -0.73 -0.47 0.00 0.02 0.00 0.00 55.36 54.79 2c7i s GLN 29 Cb -0.55 -1.92 -0.20 0.00 1.00 0.00 0.00 33.01 31.34 2c7i s GLN 29 CO 0.55 0.21 1.61 0.98 -2.12 0.00 0.00 175.29 176.52 2c7i n TYR 30 N 3.36 1.75 0.00 0.91 9.36 -1.26 -0.75 117.16 130.53 2c7i n TYR 30 Ca -0.19 1.14 0.00 0.00 3.32 0.00 0.00 57.90 62.17 2c7i n TYR 30 Cb 0.53 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 2c7i n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2c7i n GLY 31 N 4.05 2.04 3.63 2.98 0.00 -1.26 -5.09 105.19 111.54 2c7i n GLY 31 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 2c7i n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c7i s ASP 32 N -1.72 2.46 0.40 1.61 1.01 0.07 -4.93 116.67 115.58 2c7i s ASP 32 Ca 0.00 1.75 -0.27 0.00 0.71 0.00 0.00 52.55 54.75 2c7i s ASP 32 Cb 0.00 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.47 2c7i s ASP 32 CO 0.00 -3.32 1.39 -0.54 0.21 0.00 0.00 175.17 172.91 2c7i s LYS 33 N -4.67 3.96 0.36 8.23 1.02 -1.26 -4.74 119.74 122.63 2c7i s LYS 33 Ca 0.66 2.35 -0.26 0.00 0.02 0.00 0.00 55.97 58.74 2c7i s LYS 33 Cb -0.22 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 2c7i s LYS 33 CO 0.60 -0.57 1.08 -1.25 -0.92 0.00 0.00 175.35 174.29 2c7i s PRO 34 N -2.21 4.32 -0.15 -1.68 0.04 -1.26 -4.74 135.00 129.32 2c7i s PRO 34 Ca 0.56 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2c7i s PRO 34 Cb -0.42 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2c7i s PRO 34 CO 0.55 -0.03 -0.09 0.42 0.04 0.00 0.00 177.00 177.89 2c7i s ILE 35 N -1.46 3.37 -0.20 0.56 1.01 0.11 -1.32 121.20 123.27 2c7i s ILE 35 Ca 0.53 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2c7i s ILE 35 Cb -0.26 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 39.80 2c7i s ILE 35 CO 0.33 0.51 -0.14 -0.22 0.00 0.00 0.00 174.94 175.41 2c7i s LEU 36 N 0.43 2.50 -0.13 2.97 2.96 -0.58 -1.16 118.68 125.66 2c7i s LEU 36 Ca -0.07 -0.91 0.02 0.00 -0.22 0.00 0.00 54.13 52.95 2c7i s LEU 36 Cb -0.15 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 2c7i s LEU 36 CO 0.04 -0.10 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.19 2c7i s ARG 37 N 1.28 3.16 -0.12 1.98 3.52 -0.02 -1.92 118.95 126.83 2c7i s ARG 37 Ca -0.00 -0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 54.76 2c7i s ARG 37 Cb -0.16 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 2c7i s ARG 37 CO -0.09 0.08 0.03 -0.06 -0.81 0.00 0.00 175.30 174.45 2c7i s PHE 38 N 0.62 3.22 0.20 5.12 0.08 -0.96 -0.55 117.98 125.71 2c7i s PHE 38 Ca -0.10 0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.88 2c7i s PHE 38 Cb -0.16 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2c7i s PHE 38 CO 0.03 0.36 0.61 1.52 -0.10 0.00 0.00 175.22 177.64 2c7i s TYR 39 N -0.43 -0.33 0.05 0.36 -0.85 -0.42 -3.58 117.35 112.15 2c7i s TYR 39 Ca 0.09 0.02 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 2c7i s TYR 39 Cb -0.12 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 2c7i s TYR 39 CO 0.02 -0.98 -0.12 1.03 -1.52 0.00 0.00 175.55 173.99 2c7i s ARG 40 N -3.83 0.75 0.04 -3.49 0.52 -1.26 -0.75 118.95 110.93 2c7i s ARG 40 Ca 0.06 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.52 2c7i s ARG 40 Cb -0.02 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.72 2c7i s ARG 40 CO -0.05 0.16 -0.09 -1.01 0.02 0.00 0.00 175.30 174.33 2c7i s HIS 41 N -1.11 2.80 0.01 -0.53 3.76 -1.26 -3.52 115.29 115.43 2c7i s HIS 41 Ca -0.03 -0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2c7i s HIS 41 Cb -0.09 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.07 2c7i s HIS 41 CO 0.01 0.37 0.01 -3.47 -0.85 0.00 0.00 174.74 170.81 2c7i n ASP 42 N 1.29 -0.95 -4.51 1.40 2.03 -0.28 -3.16 116.55 112.37 2c7i n ASP 42 Ca -0.15 -0.53 -0.53 0.00 0.52 0.00 0.00 54.79 54.11 2c7i n ASP 42 Cb 0.52 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 2c7i n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c7i n ARG 43 N -1.49 1.11 -3.50 -0.67 1.74 -1.24 -4.28 116.66 108.34 2c7i n ARG 43 Ca 0.00 0.34 -0.11 0.00 -0.77 0.00 0.00 57.85 57.31 2c7i n ARG 43 Cb 0.00 -2.33 -0.03 0.00 -1.02 0.00 0.00 32.46 29.08 2c7i n ARG 43 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2c7i s SER 44 N 6.12 -0.46 -0.16 0.55 1.04 -0.04 -2.65 113.70 118.11 2c7i s SER 44 Ca 1.06 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 2c7i s SER 44 Cb -0.94 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 2c7i s SER 44 CO 0.54 -0.95 -0.10 -0.69 0.98 0.00 0.00 173.24 173.02 2c7i s VAL 45 N -3.77 3.14 -0.26 5.02 1.01 0.45 -0.55 120.40 125.44 2c7i s VAL 45 Ca 0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2c7i s VAL 45 Cb -0.00 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2c7i s VAL 45 CO -0.12 0.50 0.02 -0.63 0.00 0.00 0.00 175.10 174.86 2c7i s ILE 46 N 0.70 3.65 0.23 2.22 1.01 -0.40 -1.57 121.20 127.04 2c7i s ILE 46 Ca -0.05 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.03 2c7i s ILE 46 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2c7i s ILE 46 CO 0.02 0.24 0.36 0.27 0.00 0.00 0.00 174.94 175.83 2c7i s ILE 47 N 1.48 5.26 0.67 2.92 -4.36 -0.66 -1.52 121.20 124.99 2c7i s ILE 47 Ca 0.04 -0.95 -0.09 0.00 -0.26 0.00 0.00 60.65 59.39 2c7i s ILE 47 Cb -0.16 -3.85 0.01 0.00 1.25 0.00 0.00 42.46 39.72 2c7i s ILE 47 CO -0.00 -0.31 1.03 -0.83 0.24 0.00 0.00 174.94 175.06 2c7i s GLY 48 N -3.90 1.62 0.33 6.27 0.00 -1.25 -1.50 107.32 108.89 2c7i s GLY 48 Ca 0.34 -0.49 0.11 0.00 0.00 0.00 0.00 44.72 44.68 2c7i s GLY 48 CO 0.29 -0.15 1.73 -1.82 0.00 0.00 0.00 173.10 173.15 2c7i h TYR 49 N -0.49 0.94 -0.28 1.90 3.20 -1.16 -1.34 116.97 119.75 2c7i h TYR 49 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2c7i h TYR 49 Cb 1.26 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2c7i h TYR 49 CO 0.48 0.06 0.00 1.19 -1.64 0.00 0.00 178.16 178.25 2c7i n PHE 50 N -4.84 0.34 -3.05 -3.82 3.72 -1.26 -5.00 117.46 103.54 2c7i n PHE 50 Ca 0.27 -0.17 -0.34 0.00 -0.05 0.00 0.00 57.45 57.15 2c7i n PHE 50 Cb 0.78 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.26 2c7i n PHE 50 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2c7i s GLN 51 N -1.66 4.17 -0.35 -1.08 -0.21 -0.51 -5.03 119.66 114.99 2c7i s GLN 51 Ca 0.36 0.85 -0.17 0.00 0.02 0.00 0.00 55.36 56.42 2c7i s GLN 51 Cb 0.22 -2.60 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 2c7i s GLN 51 CO 0.31 0.23 0.47 0.08 -2.12 0.00 0.00 175.29 174.26 2c7i s VAL 52 N -1.81 5.06 0.12 1.09 1.01 -1.26 -4.93 120.40 119.68 2c7i s VAL 52 Ca 0.51 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 2c7i s VAL 52 Cb -0.13 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 2c7i s VAL 52 CO 0.19 -0.19 1.65 0.00 0.00 0.00 0.00 175.10 176.74 2c7i h ALA 53 N 8.48 -0.33 0.00 5.51 0.00 -1.91 -0.27 119.26 130.74 2c7i h ALA 53 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2c7i h ALA 53 Cb 1.13 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2c7i h ALA 53 CO 0.75 -0.74 0.00 -0.85 0.00 0.00 0.00 179.25 178.42 2c7i n GLU 54 N -5.35 0.01 0.01 0.00 0.00 -1.26 -1.58 120.64 112.48 2c7i n GLU 54 Ca -0.06 0.35 0.11 0.00 0.00 0.00 0.00 57.16 57.56 2c7i n GLU 54 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.20 2c7i n GLU 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2c7i n GLU 55 N -1.47 0.22 -0.04 3.44 4.71 -0.14 -4.55 120.64 122.81 2c7i n GLU 55 Ca 0.02 -0.02 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 2c7i n GLU 55 Cb 0.09 -1.56 -0.04 0.00 -1.01 0.00 0.00 31.44 28.92 2c7i n GLU 55 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2c7i n GLU 56 N -1.83 1.26 -4.37 3.49 -0.58 -0.73 -5.02 120.64 112.86 2c7i n GLU 56 Ca 0.02 0.03 -0.25 0.00 -0.42 0.00 0.00 57.16 56.55 2c7i n GLU 56 Cb 0.41 -1.17 -0.09 0.00 -0.57 0.00 0.00 31.44 30.02 2c7i n GLU 56 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2c7i s VAL 57 N -2.17 2.91 -1.06 2.62 -7.23 -0.62 -4.54 120.40 110.32 2c7i s VAL 57 Ca -0.08 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.86 2c7i s VAL 57 Cb 0.03 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.57 2c7i s VAL 57 CO 0.23 -0.29 1.37 -0.62 -0.31 0.00 0.00 175.10 175.48 2c7i s ASP 58 N -3.28 6.70 0.21 4.85 -1.08 -1.21 -4.66 116.67 118.21 2c7i s ASP 58 Ca 0.28 -2.10 -0.09 0.00 -0.52 0.00 0.00 52.55 50.12 2c7i s ASP 58 Cb -0.07 -2.48 0.22 0.00 -1.46 0.00 0.00 42.92 39.13 2c7i s ASP 58 CO 0.16 -1.16 1.85 -0.07 0.52 0.00 0.00 175.17 176.47 2c7i h LEU 59 N 11.32 0.74 -1.11 -1.34 3.38 -1.91 -0.83 115.31 125.57 2c7i h LEU 59 Ca 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 2c7i h LEU 59 Cb 0.97 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2c7i h LEU 59 CO 1.28 0.51 -0.36 0.44 0.09 0.00 0.00 178.44 180.40 2c7i h ASP 60 N 0.88 0.16 1.04 -0.43 3.45 -2.00 -2.11 116.42 117.42 2c7i h ASP 60 Ca 0.30 -0.06 -0.14 0.00 0.43 0.00 0.00 57.03 57.56 2c7i h ASP 60 Cb 0.05 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2c7i h ASP 60 CO -0.12 0.51 -0.68 0.22 -1.57 0.00 0.00 179.24 177.61 2c7i h TYR 61 N 0.14 0.00 -0.03 4.55 3.20 -1.63 -3.19 116.97 120.01 2c7i h TYR 61 Ca 0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2c7i h TYR 61 Cb 0.70 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2c7i h TYR 61 CO 0.01 0.68 -0.04 0.52 -1.64 0.00 0.00 178.16 177.68 2c7i h MET 62 N 0.00 0.08 0.00 1.82 2.86 -1.01 -3.37 114.93 115.31 2c7i h MET 62 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2c7i h MET 62 Cb 1.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2c7i h MET 62 CO 0.09 0.58 0.00 1.63 1.06 0.00 0.00 176.91 180.27 2c7i n LYS 63 N -4.77 0.00 0.00 1.72 4.01 -0.81 -1.81 118.16 116.51 2c7i n LYS 63 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2c7i n LYS 63 Cb 0.30 -0.94 0.00 0.00 -0.51 0.00 0.00 35.03 33.88 2c7i n LYS 63 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2c7i n ASN 65 N 0.00 0.00 -0.16 4.39 3.02 -1.26 -4.75 115.26 116.50 2c7i n ASN 65 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 2c7i n ASN 65 Cb 0.00 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 38.83 2c7i n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c7i n GLY 66 N -0.68 0.37 3.78 7.41 0.00 -0.75 -5.00 105.19 110.32 2c7i n GLY 66 Ca 0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2c7i n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c7i s ILE 67 N -2.07 5.13 0.05 -0.61 1.01 -0.76 -4.90 121.20 119.06 2c7i s ILE 67 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 60.65 61.33 2c7i s ILE 67 Cb 0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2c7i s ILE 67 CO 0.00 0.47 0.42 -0.32 0.00 0.00 0.00 174.94 175.51 2c7i s MET 68 N -0.30 3.85 -0.23 2.79 1.75 -1.08 -4.49 119.30 121.58 2c7i s MET 68 Ca 0.23 0.31 -0.10 0.00 -1.25 0.00 0.00 55.69 54.88 2c7i s MET 68 Cb -0.15 -3.09 -0.05 0.00 2.84 0.00 0.00 34.83 34.38 2c7i s MET 68 CO 0.11 0.61 0.15 -1.17 -0.65 0.00 0.00 175.02 174.06 2c7i s LEU 69 N -1.55 4.07 -0.02 4.11 2.96 -1.26 -0.41 118.68 126.58 2c7i s LEU 69 Ca 0.29 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 2c7i s LEU 69 Cb -0.15 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.47 2c7i s LEU 69 CO 0.16 0.08 -0.02 0.00 -1.32 0.00 0.00 176.35 175.25 2c7i s ALA 70 N 0.97 0.40 -0.11 5.97 0.00 -0.61 -4.95 121.76 123.43 2c7i s ALA 70 Ca 0.07 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 2c7i s ALA 70 Cb -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2c7i s ALA 70 CO 0.04 -0.00 0.21 0.50 0.00 0.00 0.00 175.76 176.50 2c7i s ARG 71 N 0.62 3.71 0.45 0.00 3.52 -1.26 -1.65 118.95 124.33 2c7i s ARG 71 Ca -0.07 -0.02 0.08 0.00 -0.13 0.00 0.00 55.73 55.60 2c7i s ARG 71 Cb -0.10 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2c7i s ARG 71 CO -0.01 0.65 0.49 -0.98 -0.81 0.00 0.00 175.30 174.64 2c7i s ARG 72 N -0.71 2.57 0.11 5.12 1.70 -0.56 -4.94 118.95 122.24 2c7i s ARG 72 Ca 0.16 -1.50 -0.13 0.00 -0.47 0.00 0.00 55.73 53.78 2c7i s ARG 72 Cb -0.13 -2.50 -0.11 0.00 -0.57 0.00 0.00 34.95 31.64 2c7i s ARG 72 CO 0.05 -0.33 1.38 -0.92 -1.08 0.00 0.00 175.30 174.39 2c7i h TYR 73 N 0.79 1.00 -4.23 5.89 3.20 -1.89 -3.25 116.97 118.47 2c7i h TYR 73 Ca -0.39 -0.36 -0.49 0.00 3.14 0.00 0.00 58.73 60.62 2c7i h TYR 73 Cb 1.28 -0.19 0.04 0.00 1.54 0.00 0.00 36.73 39.40 2c7i h TYR 73 CO 0.51 1.17 0.37 0.95 -1.64 0.00 0.00 178.16 179.53 2c7i s THR 74 N -4.09 4.66 0.00 1.81 -4.23 -1.26 -4.60 115.64 107.92 2c7i s THR 74 Ca -0.11 0.96 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 2c7i s THR 74 Cb 0.09 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2c7i s THR 74 CO 0.87 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2c7i n GLY 75 N -2.23 -1.68 0.00 3.99 0.00 -1.26 -1.11 105.19 102.89 2c7i n GLY 75 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2c7i n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7i n GLY 76 N 3.58 -1.62 3.73 -0.02 0.00 -1.26 -4.64 105.19 104.96 2c7i n GLY 76 Ca 0.00 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 2c7i n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7i n GLY 77 N 0.00 2.03 3.86 -0.02 0.00 -1.26 -3.89 105.19 105.91 2c7i n GLY 77 Ca 0.00 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 2c7i n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c7i s ALA 78 N -2.68 3.54 -0.03 4.61 0.00 -1.26 -4.11 121.76 121.83 2c7i s ALA 78 Ca 0.56 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 2c7i s ALA 78 Cb -0.04 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2c7i s ALA 78 CO 0.35 0.47 0.15 0.14 0.00 0.00 0.00 175.76 176.88 2c7i s VAL 79 N -1.74 0.04 -0.02 0.00 -7.23 -0.58 -4.98 120.40 105.90 2c7i s VAL 79 Ca 0.46 -0.36 -0.23 0.00 -1.81 0.00 0.00 61.98 60.03 2c7i s VAL 79 Cb -0.12 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 2c7i s VAL 79 CO 0.20 -0.20 0.69 -0.47 -0.31 0.00 0.00 175.10 175.02 2c7i s TYR 80 N -0.68 3.65 -0.08 2.82 5.04 -1.26 -1.28 117.35 125.56 2c7i s TYR 80 Ca -0.08 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 55.91 2c7i s TYR 80 Cb -0.05 -2.76 -0.01 0.00 0.35 0.00 0.00 41.96 39.50 2c7i s TYR 80 CO 0.01 0.21 -0.24 -1.01 -1.34 0.00 0.00 175.55 173.18 2c7i s HIS 81 N 0.29 2.51 0.30 4.97 3.76 0.29 -5.00 115.29 122.41 2c7i s HIS 81 Ca 0.36 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 2c7i s HIS 81 Cb -0.19 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 2c7i s HIS 81 CO 0.19 -0.28 0.14 -0.40 -0.85 0.00 0.00 174.74 173.54 2c7i n ASP 82 N 3.18 0.70 0.01 1.40 5.68 -1.25 -0.86 116.55 125.41 2c7i n ASP 82 Ca -0.18 -2.69 0.03 0.00 -0.50 0.00 0.00 54.79 51.45 2c7i n ASP 82 Cb 0.52 0.94 0.15 0.00 -1.14 0.00 0.00 41.12 41.60 2c7i n ASP 82 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c7i n LEU 83 N 0.00 0.06 -0.45 -2.12 4.77 -1.19 -0.09 117.00 117.98 2c7i n LEU 83 Ca -0.02 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 2c7i n LEU 83 Cb 0.47 -0.52 0.47 0.00 -2.33 0.00 0.00 43.42 41.51 2c7i n LEU 83 CO 0.25 -0.45 0.83 0.61 -1.33 0.00 0.00 177.39 177.30 2c7i n GLY 84 N -0.95 0.01 3.47 -0.72 0.00 -1.26 -4.83 105.19 100.90 2c7i n GLY 84 Ca 0.01 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2c7i n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c7i s ASP 85 N -1.73 4.76 -0.33 1.61 1.01 0.87 -0.86 116.67 122.01 2c7i s ASP 85 Ca 0.35 -0.18 -0.15 0.00 0.71 0.00 0.00 52.55 53.28 2c7i s ASP 85 Cb 0.18 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 2c7i s ASP 85 CO 0.29 0.12 0.37 -0.22 0.21 0.00 0.00 175.17 175.93 2c7i s LEU 86 N 0.66 4.35 0.20 1.23 2.96 -0.36 -4.63 118.68 123.09 2c7i s LEU 86 Ca -0.02 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2c7i s LEU 86 Cb -0.14 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2c7i s LEU 86 CO 0.02 -0.31 0.44 0.20 -1.32 0.00 0.00 176.35 175.38 2c7i s ASN 87 N 1.72 6.45 -0.01 3.68 0.01 0.07 -0.55 114.94 126.32 2c7i s ASN 87 Ca 0.13 0.58 -0.21 0.00 -0.71 0.00 0.00 52.86 52.65 2c7i s ASN 87 Cb -0.16 -2.09 0.04 0.00 0.41 0.00 0.00 41.25 39.45 2c7i s ASN 87 CO 0.11 -0.05 0.45 0.72 -1.51 0.00 0.00 177.10 176.83 2c7i s PHE 88 N -1.84 -0.35 0.05 2.20 -0.12 -0.50 -1.30 117.98 116.12 2c7i s PHE 88 Ca 0.41 0.51 0.02 0.00 -0.05 0.00 0.00 56.93 57.82 2c7i s PHE 88 Cb -0.11 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2c7i s PHE 88 CO 0.27 -0.51 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.32 2c7i s SER 89 N -1.50 0.86 -0.04 1.98 1.04 0.29 -0.59 113.70 115.75 2c7i s SER 89 Ca -0.10 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2c7i s SER 89 Cb -0.02 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.15 2c7i s SER 89 CO 0.04 -0.25 -0.09 -0.69 0.98 0.00 0.00 173.24 173.23 2c7i s VAL 90 N -1.70 0.82 -0.06 5.02 1.01 0.15 -0.84 120.40 124.79 2c7i s VAL 90 Ca -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2c7i s VAL 90 Cb -0.08 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2c7i s VAL 90 CO -0.00 0.27 -0.03 -0.69 0.00 0.00 0.00 175.10 174.65 2c7i s VAL 91 N 0.47 0.53 0.32 2.92 1.01 -0.31 -1.43 120.40 123.91 2c7i s VAL 91 Ca -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 2c7i s VAL 91 Cb -0.12 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.66 2c7i s VAL 91 CO 0.01 0.26 0.52 0.00 0.00 0.00 0.00 175.10 175.89 2c7i s ARG 92 N 1.47 1.83 0.71 2.72 1.70 -1.12 0.05 118.95 126.31 2c7i s ARG 92 Ca -0.02 -1.54 -0.16 0.00 -0.47 0.00 0.00 55.73 53.53 2c7i s ARG 92 Cb -0.13 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2c7i s ARG 92 CO -0.03 -0.78 1.24 -1.12 -1.08 0.00 0.00 175.30 173.53 2c7i s SER 93 N -3.14 4.29 -0.01 -2.89 0.01 -1.26 -1.65 113.70 109.05 2c7i s SER 93 Ca 0.26 2.47 -0.12 0.00 1.31 0.00 0.00 55.95 59.86 2c7i s SER 93 Cb -0.01 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2c7i s SER 93 CO 0.15 -2.21 0.25 -0.55 0.41 0.00 0.00 173.24 171.29 2c7i s SER 94 N -1.78 -0.12 -0.04 2.44 0.15 -0.81 -4.72 113.70 108.84 2c7i s SER 94 Ca 0.78 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 57.45 2c7i s SER 94 Cb -0.32 0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 2c7i s SER 94 CO 0.43 -0.42 0.02 0.47 1.20 0.00 0.00 173.24 174.95 2c7i n ASP 95 N 1.35 4.01 -4.82 5.45 8.00 -1.26 -3.69 116.55 125.59 2c7i n ASP 95 Ca -0.22 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.02 2c7i n ASP 95 Cb 0.56 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 42.27 2c7i n ASP 95 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2c7i s ASP 96 N -3.40 4.54 -0.29 -2.24 1.47 -1.26 -5.05 116.67 110.44 2c7i s ASP 96 Ca -0.02 -1.17 0.10 0.00 1.18 0.00 0.00 52.55 52.65 2c7i s ASP 96 Cb 0.01 -0.04 0.58 0.00 -0.34 0.00 0.00 42.92 43.13 2c7i s ASP 96 CO 0.17 -0.80 1.58 0.23 0.68 0.00 0.00 175.17 177.03 2c7i n MET 97 N -1.47 2.53 -2.47 2.11 2.81 -1.26 -4.93 117.12 114.42 2c7i n MET 97 Ca -0.03 -3.06 -0.39 0.00 -1.81 0.00 0.00 57.70 52.42 2c7i n MET 97 Cb 0.64 -1.95 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 2c7i n MET 97 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2c7i s ASP 98 N -1.93 6.28 0.35 7.83 -1.08 -1.26 -4.80 116.67 122.06 2c7i s ASP 98 Ca 0.48 -1.34 0.07 0.00 -0.52 0.00 0.00 52.55 51.24 2c7i s ASP 98 Cb 0.41 -2.57 0.66 0.00 -1.46 0.00 0.00 42.92 39.96 2c7i s ASP 98 CO 0.06 -1.71 1.85 -0.29 0.52 0.00 0.00 175.17 175.60 2c7i h ILE 99 N 6.85 1.21 -0.41 4.11 6.09 -2.00 -2.94 117.51 130.42 2c7i h ILE 99 Ca 0.19 -0.97 -0.12 0.00 -1.37 0.00 0.00 64.86 62.59 2c7i h ILE 99 Cb 1.01 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 2c7i h ILE 99 CO 1.39 0.30 -0.24 0.74 -3.07 0.00 0.00 178.15 177.28 2c7i h THR 100 N 0.29 1.27 0.29 2.19 2.02 -2.00 -1.99 112.91 114.98 2c7i h THR 100 Ca 0.05 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 2c7i h THR 100 Cb 0.48 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2c7i h THR 100 CO 0.03 0.46 -0.14 0.28 0.37 0.00 0.00 175.52 176.52 2c7i h SER 101 N 0.72 -0.33 -0.68 4.18 0.02 -1.94 -0.79 113.55 114.73 2c7i h SER 101 Ca 0.09 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 2c7i h SER 101 Cb 0.77 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 63.27 2c7i h SER 101 CO 0.06 -0.16 -0.31 -0.03 -1.14 0.00 0.00 176.83 175.25 2c7i h MET 102 N -0.49 -0.10 -0.55 3.45 -1.53 -1.34 0.76 114.93 115.12 2c7i h MET 102 Ca -0.04 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 2c7i h MET 102 Cb 0.36 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.41 2c7i h MET 102 CO 0.07 -0.07 0.23 0.74 0.14 0.00 0.00 176.91 178.02 2c7i h PHE 103 N -0.11 0.83 -0.44 1.39 0.04 -1.22 -0.64 116.94 116.80 2c7i h PHE 103 Ca 0.27 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 61.01 2c7i h PHE 103 Cb 0.56 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2c7i h PHE 103 CO -0.66 0.67 0.26 0.00 -0.60 0.00 0.00 178.31 177.98 2c7i h ARG 104 N 0.75 0.51 -0.04 1.51 2.47 0.18 -0.42 114.38 119.34 2c7i h ARG 104 Ca 0.19 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2c7i h ARG 104 Cb 0.18 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2c7i h ARG 104 CO -0.02 0.33 0.02 1.15 0.56 0.00 0.00 179.97 182.01 2c7i h THR 105 N 0.52 1.12 -0.36 2.04 2.02 0.30 -1.26 112.91 117.29 2c7i h THR 105 Ca 0.18 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 2c7i h THR 105 Cb 0.02 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2c7i h THR 105 CO -0.09 0.10 -0.10 0.24 0.37 0.00 0.00 175.52 176.04 2c7i h MET 106 N -0.08 0.61 -0.53 6.66 2.07 -1.06 -1.55 114.93 121.05 2c7i h MET 106 Ca 0.01 -0.18 -0.06 0.00 -2.07 0.00 0.00 59.70 57.41 2c7i h MET 106 Cb 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 2c7i h MET 106 CO -0.00 0.70 0.10 -0.91 1.07 0.00 0.00 176.91 177.87 2c7i h ASN 107 N 0.56 0.77 -0.40 1.22 2.35 -0.92 -0.39 115.58 118.77 2c7i h ASN 107 Ca 0.10 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2c7i h ASN 107 Cb 0.51 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2c7i h ASN 107 CO 0.03 0.77 0.25 -0.33 -1.65 0.00 0.00 177.43 176.50 2c7i h GLU 108 N 0.78 0.54 -0.71 0.81 3.07 -0.50 0.93 114.58 119.50 2c7i h GLU 108 Ca 0.17 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 2c7i h GLU 108 Cb 0.33 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 2c7i h GLU 108 CO 0.00 0.39 0.46 0.00 -1.40 0.00 0.00 179.01 178.46 2c7i h ALA 109 N 1.12 0.93 -0.31 3.43 0.00 -0.84 0.60 119.26 124.18 2c7i h ALA 109 Ca 0.14 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2c7i h ALA 109 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2c7i h ALA 109 CO -0.03 0.26 -0.35 0.28 0.00 0.00 0.00 179.25 179.42 2c7i h VAL 110 N 0.91 1.29 -0.27 0.00 2.07 -0.75 -0.84 116.25 118.65 2c7i h VAL 110 Ca 0.28 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2c7i h VAL 110 Cb -0.02 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2c7i h VAL 110 CO -0.09 0.48 0.13 0.58 0.02 0.00 0.00 177.57 178.69 2c7i h VAL 111 N 0.57 1.15 0.00 2.57 2.07 -0.40 -0.78 116.25 121.44 2c7i h VAL 111 Ca 0.06 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2c7i h VAL 111 Cb 0.86 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2c7i h VAL 111 CO 0.07 0.16 -0.33 0.78 0.02 0.00 0.00 177.57 178.27 2c7i h ASN 112 N 0.31 0.00 -0.23 0.57 2.35 -0.83 -1.87 115.58 115.88 2c7i h ASN 112 Ca 0.09 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 2c7i h ASN 112 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2c7i h ASN 112 CO -0.01 0.33 -0.47 0.28 -1.65 0.00 0.00 177.43 175.91 2c7i h SER 113 N 0.00 0.82 0.64 5.81 0.02 -0.96 -3.22 113.55 116.66 2c7i h SER 113 Ca -0.00 -0.55 -0.12 0.00 -0.84 0.00 0.00 61.79 60.28 2c7i h SER 113 Cb 0.60 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2c7i h SER 113 CO 0.04 1.21 -0.55 -0.07 -1.14 0.00 0.00 176.83 176.32 2c7i h LEU 114 N 0.45 0.00 -0.46 5.07 3.38 -0.90 -2.99 115.31 119.86 2c7i h LEU 114 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c7i h LEU 114 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2c7i h LEU 114 CO 0.11 0.55 0.28 0.03 0.09 0.00 0.00 178.44 179.50 2c7i h ARG 115 N 0.00 0.63 -0.86 1.13 3.08 -1.33 0.22 114.38 117.26 2c7i h ARG 115 Ca -0.01 -0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.19 2c7i h ARG 115 Cb 1.03 -0.13 -0.15 0.00 0.08 0.00 0.00 29.97 30.79 2c7i h ARG 115 CO 0.07 0.47 -0.03 0.82 -1.07 0.00 0.00 179.97 180.23 2c7i h ILE 116 N 0.62 0.20 0.00 2.04 2.04 -1.53 0.27 117.51 121.14 2c7i h ILE 116 Ca 0.17 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2c7i h ILE 116 Cb -0.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 2c7i h ILE 116 CO -0.03 0.01 0.00 0.18 0.00 0.00 0.00 178.15 178.31 2c7i n LEU 117 N -5.43 0.00 -0.59 1.44 4.77 -0.63 -4.85 117.00 111.72 2c7i n LEU 117 Ca 0.17 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2c7i n LEU 117 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2c7i n LEU 117 CO -0.01 0.00 -0.07 0.61 -1.33 0.00 0.00 177.39 176.59 2c7i n GLY 118 N 0.87 0.23 3.27 -0.72 0.00 0.95 -4.94 105.19 104.85 2c7i n GLY 118 Ca 0.22 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2c7i n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c7i s LEU 119 N -1.50 3.34 -0.28 0.99 2.96 0.67 -4.96 118.68 119.89 2c7i s LEU 119 Ca 0.00 -0.72 -0.27 0.00 -0.22 0.00 0.00 54.13 52.92 2c7i s LEU 119 Cb 0.00 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2c7i s LEU 119 CO 0.00 -0.13 0.94 -0.62 -1.32 0.00 0.00 176.35 175.22 2c7i s ASP 120 N 1.41 6.88 0.06 3.68 -1.08 -1.26 -3.28 116.67 123.07 2c7i s ASP 120 Ca 0.02 1.02 -0.10 0.00 -0.52 0.00 0.00 52.55 52.97 2c7i s ASP 120 Cb -0.16 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2c7i s ASP 120 CO -0.02 -0.68 0.21 0.00 0.52 0.00 0.00 175.17 175.20 2c7i s ALA 121 N 3.19 -0.38 0.09 3.66 0.00 -1.26 -4.26 121.76 122.80 2c7i s ALA 121 Ca 0.39 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2c7i s ALA 121 Cb -0.14 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2c7i s ALA 121 CO 0.11 -0.42 -0.08 1.03 0.00 0.00 0.00 175.76 176.40 2c7i s ARG 122 N -2.95 0.79 0.59 0.00 0.52 -0.02 -4.82 118.95 113.04 2c7i s ARG 122 Ca -0.02 -1.17 -0.18 0.00 -0.52 0.00 0.00 55.73 53.83 2c7i s ARG 122 Cb 0.01 -0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 2c7i s ARG 122 CO -0.06 0.03 1.17 -1.25 0.02 0.00 0.00 175.30 175.21 2c7i s PRO 123 N -3.06 3.05 0.99 3.54 0.04 -1.26 0.72 135.00 139.01 2c7i s PRO 123 Ca 0.06 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 2c7i s PRO 123 Cb -0.00 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.77 2c7i s PRO 123 CO -0.02 -1.12 1.09 0.20 0.04 0.00 0.00 177.00 177.19 2c7i s GLY 124 N -1.76 1.62 -0.07 0.56 0.00 -0.30 -4.76 107.32 102.61 2c7i s GLY 124 Ca 0.75 0.13 0.10 0.00 0.00 0.00 0.00 44.72 45.69 2c7i s GLY 124 CO 0.32 0.66 0.11 1.18 0.00 0.00 0.00 173.10 175.38 2c7i n GLU 125 N -4.32 1.63 -1.88 2.90 1.02 -1.07 -3.94 120.64 114.98 2c7i n GLU 125 Ca 0.07 -0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.77 2c7i n GLU 125 Cb 0.54 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2c7i n GLU 125 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2c7i s LEU 126 N -4.42 4.22 0.10 -4.62 1.43 -0.24 -4.81 118.68 110.35 2c7i s LEU 126 Ca -0.05 2.88 0.17 0.00 -1.03 0.00 0.00 54.13 56.10 2c7i s LEU 126 Cb 0.04 -3.83 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 2c7i s LEU 126 CO 0.44 -0.97 0.94 0.78 0.23 0.00 0.00 176.35 177.76 2c7i h ASN 127 N 2.68 0.00 -2.82 2.29 2.35 -1.96 -3.22 115.58 114.90 2c7i h ASN 127 Ca -0.50 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.72 2c7i h ASN 127 Cb 1.25 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.65 2c7i h ASN 127 CO 0.63 0.55 0.89 -1.81 -1.65 0.00 0.00 177.43 176.03 2c7i s ASP 128 N -5.88 6.67 -0.04 5.81 -0.00 -1.26 -4.89 116.67 117.07 2c7i s ASP 128 Ca -0.02 2.46 0.11 0.00 -0.00 0.00 0.00 52.55 55.10 2c7i s ASP 128 Cb 0.09 -2.58 0.39 0.00 -0.00 0.00 0.00 42.92 40.81 2c7i s ASP 128 CO 0.80 -0.80 1.26 1.33 -0.00 0.00 0.00 175.17 177.75 2c7i n VAL 129 N 4.32 0.86 -0.51 -1.27 0.24 -1.26 -3.87 118.33 116.84 2c7i n VAL 129 Ca 0.14 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2c7i n VAL 129 Cb 0.40 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 2c7i n VAL 129 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2c7i n SER 130 N 0.57 0.53 -4.79 -1.34 7.64 -1.26 -4.92 113.62 110.05 2c7i n SER 130 Ca 0.14 -1.05 -0.33 0.00 1.01 0.00 0.00 58.87 58.64 2c7i n SER 130 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2c7i n SER 130 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2c7i s ILE 131 N -0.05 3.58 0.34 0.44 -0.00 -1.25 -4.95 121.20 119.31 2c7i s ILE 131 Ca 0.00 0.82 0.07 0.00 -0.00 0.00 0.00 60.65 61.54 2c7i s ILE 131 Cb 0.00 -3.32 0.10 0.00 -0.00 0.00 0.00 42.46 39.24 2c7i s ILE 131 CO 0.00 -0.37 1.81 1.55 -0.00 0.00 0.00 174.94 177.93 2c7i h PRO 132 N 0.67 0.30 -4.62 0.37 0.13 -1.95 -3.46 132.00 123.45 2c7i h PRO 132 Ca -0.48 -0.10 -0.24 0.00 -0.87 0.00 0.00 66.00 64.31 2c7i h PRO 132 Cb 1.23 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2c7i h PRO 132 CO 0.57 0.52 -0.64 0.14 -0.23 0.00 0.00 178.00 178.35 2c7i s VAL 133 N -4.52 0.31 -0.33 1.56 -7.23 -1.26 -4.87 120.40 104.07 2c7i s VAL 133 Ca -0.06 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2c7i s VAL 133 Cb 0.14 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.88 2c7i s VAL 133 CO 0.76 -0.35 0.00 0.59 -0.31 0.00 0.00 175.10 175.79 2c7i n ASN 134 N -0.21 -3.75 -4.77 4.85 3.02 -1.26 -4.94 115.26 108.20 2c7i n ASN 134 Ca -0.04 0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 2c7i n ASN 134 Cb 0.64 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.26 2c7i n ASN 134 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c7i s LYS 135 N -1.59 4.31 0.32 3.52 1.02 -1.26 -1.08 119.74 124.99 2c7i s LYS 135 Ca 0.00 1.64 0.15 0.00 0.02 0.00 0.00 55.97 57.78 2c7i s LYS 135 Cb 0.00 -2.77 0.80 0.00 -0.52 0.00 0.00 37.83 35.34 2c7i s LYS 135 CO 0.00 -0.04 1.37 1.63 -0.92 0.00 0.00 175.35 177.38 2c7i n LYS 136 N 0.35 0.10 0.00 1.68 5.02 -1.22 0.24 118.16 124.34 2c7i n LYS 136 Ca 0.03 0.58 0.11 0.00 -2.02 0.00 0.00 58.31 57.01 2c7i n LYS 136 Cb 0.48 -2.07 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 2c7i n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c7i n THR 137 N -2.09 0.01 -3.04 -0.18 -2.24 -1.26 -4.53 114.28 100.94 2c7i n THR 137 Ca -0.01 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 2c7i n THR 137 Cb 0.26 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 2c7i n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c7i s ASP 138 N -3.06 6.65 -0.17 3.42 1.01 0.65 -2.87 116.67 122.30 2c7i s ASP 138 Ca 0.09 1.19 -0.02 0.00 0.71 0.00 0.00 52.55 54.52 2c7i s ASP 138 Cb 0.16 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2c7i s ASP 138 CO 0.81 -0.28 -0.10 -0.63 0.21 0.00 0.00 175.17 175.18 2c7i s ILE 139 N -2.14 3.13 -0.17 0.77 -1.09 -0.61 -1.15 121.20 119.94 2c7i s ILE 139 Ca 0.52 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.32 2c7i s ILE 139 Cb -0.10 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.40 2c7i s ILE 139 CO 0.24 0.48 -0.09 -0.04 -1.23 0.00 0.00 174.94 174.30 2c7i s MET 140 N 0.88 3.39 -1.00 2.79 -1.94 0.22 -1.78 119.30 121.87 2c7i s MET 140 Ca -0.02 -0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 53.11 2c7i s MET 140 Cb -0.15 -2.80 0.11 0.00 2.01 0.00 0.00 34.83 34.01 2c7i s MET 140 CO 0.00 0.04 1.26 0.00 -0.01 0.00 0.00 175.02 176.31 2c7i s ALA 141 N 0.82 3.28 0.00 3.03 0.00 -0.38 -0.84 121.76 127.66 2c7i s ALA 141 Ca -0.03 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.21 2c7i s ALA 141 Cb -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.77 2c7i s ALA 141 CO 0.01 -3.13 0.00 0.41 0.00 0.00 0.00 175.76 173.05 2c7i n GLY 142 N 5.68 3.05 0.12 0.00 0.00 -1.26 -2.97 105.19 109.80 2c7i n GLY 142 Ca 0.29 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2c7i n GLY 142 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2c7i h GLU 143 N 0.00 0.00 -5.47 1.61 4.11 -1.98 -3.46 114.58 109.40 2c7i h GLU 143 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.80 2c7i h GLU 143 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 2c7i h GLU 143 CO 0.00 0.00 -0.46 0.15 0.07 0.00 0.00 179.01 178.77 2c7i s LYS 144 N -3.13 3.88 0.03 1.06 -0.14 -1.16 -4.92 119.74 115.36 2c7i s LYS 144 Ca 0.10 -0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.27 2c7i s LYS 144 Cb 0.11 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 2c7i s LYS 144 CO 0.59 0.51 1.08 0.21 -0.76 0.00 0.00 175.35 176.98 2c7i s LYS 145 N -0.25 4.50 0.00 1.68 2.20 -0.46 -1.25 119.74 126.16 2c7i s LYS 145 Ca 0.12 1.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.33 2c7i s LYS 145 Cb -0.12 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2c7i s LYS 145 CO 0.01 -0.14 0.07 0.44 -0.36 0.00 0.00 175.35 175.37 2c7i n ILE 146 N 3.87 0.00 -3.63 5.43 -5.35 -0.73 -1.31 119.36 117.64 2c7i n ILE 146 Ca 0.07 -0.46 -0.15 0.00 -0.27 0.00 0.00 62.75 61.93 2c7i n ILE 146 Cb 0.49 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 2c7i n ILE 146 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 2c7i s MET 147 N -1.13 0.84 0.27 6.28 0.00 -1.18 -0.70 119.30 123.68 2c7i s MET 147 Ca 0.01 0.38 0.05 0.00 0.00 0.00 0.00 55.69 56.13 2c7i s MET 147 Cb 0.01 0.39 -0.06 0.00 0.00 0.00 0.00 34.83 35.18 2c7i s MET 147 CO 0.06 -0.20 -0.03 0.20 0.00 0.00 0.00 175.02 175.05 2c7i s GLY 148 N -0.64 1.78 0.06 2.11 0.00 -0.82 -1.57 107.32 108.25 2c7i s GLY 148 Ca -0.07 -1.88 -0.19 0.00 0.00 0.00 0.00 44.72 42.57 2c7i s GLY 148 CO 0.05 -1.79 0.45 0.00 0.00 0.00 0.00 173.10 171.81 2c7i s ALA 149 N -3.17 -1.11 0.25 3.20 0.00 -1.14 -1.67 121.76 118.13 2c7i s ALA 149 Ca 0.30 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 2c7i s ALA 149 Cb 0.05 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2c7i s ALA 149 CO 0.11 -0.51 0.29 0.00 0.00 0.00 0.00 175.76 175.66 2c7i s ALA 150 N -2.71 0.81 0.15 0.00 0.00 -0.38 -4.85 121.76 114.79 2c7i s ALA 150 Ca -0.04 -1.50 -0.25 0.00 0.00 0.00 0.00 51.96 50.18 2c7i s ALA 150 Cb -0.00 1.28 0.06 0.00 0.00 0.00 0.00 23.12 24.46 2c7i s ALA 150 CO -0.04 -0.70 0.92 0.20 0.00 0.00 0.00 175.76 176.14 2c7i s GLY 151 N -3.16 -0.25 0.07 0.00 0.00 -1.26 -1.31 107.32 101.41 2c7i s GLY 151 Ca 0.34 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 2c7i s GLY 151 CO 0.14 0.03 0.26 0.00 0.00 0.00 0.00 173.10 173.52 2c7i s ALA 152 N -3.34 -0.50 -0.02 3.20 0.00 -0.11 -4.64 121.76 116.35 2c7i s ALA 152 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2c7i s ALA 152 Cb -0.02 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.54 2c7i s ALA 152 CO 0.01 -0.46 0.02 -1.64 0.00 0.00 0.00 175.76 173.70 2c7i s MET 153 N -3.14 0.03 0.30 0.00 -1.94 -1.26 -0.35 119.30 112.94 2c7i s MET 153 Ca -0.01 0.16 0.04 0.00 -1.71 0.00 0.00 55.69 54.17 2c7i s MET 153 Cb 0.01 -0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.53 2c7i s MET 153 CO -0.07 -0.16 0.19 -0.98 -0.01 0.00 0.00 175.02 173.99 2c7i s ARG 154 N 1.04 1.58 -0.15 2.03 1.70 -0.77 -5.04 118.95 119.35 2c7i s ARG 154 Ca -0.09 -1.90 -0.31 0.00 -0.47 0.00 0.00 55.73 52.96 2c7i s ARG 154 Cb -0.13 0.08 -0.08 0.00 -0.57 0.00 0.00 34.95 34.25 2c7i s ARG 154 CO -0.03 -0.50 2.09 0.36 -1.08 0.00 0.00 175.30 176.15 2c7i n LYS 155 N -0.55 2.11 0.00 3.89 2.85 -1.26 -2.19 118.16 123.01 2c7i n LYS 155 Ca 0.03 0.68 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 2c7i n LYS 155 Cb 0.64 -2.96 0.00 0.00 -0.65 0.00 0.00 35.03 32.06 2c7i n LYS 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2c7i n GLY 156 N 5.32 2.49 3.55 2.58 0.00 -1.24 -4.94 105.19 112.95 2c7i n GLY 156 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 2c7i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c7i s ALA 157 N -2.41 -1.82 0.02 4.61 0.00 -0.93 -1.92 121.76 119.31 2c7i s ALA 157 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 2c7i s ALA 157 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2c7i s ALA 157 CO 0.00 -0.34 0.07 0.15 0.00 0.00 0.00 175.76 175.63 2c7i s LYS 158 N -0.94 0.46 -0.05 0.00 3.01 -0.66 -1.85 119.74 119.72 2c7i s LYS 158 Ca -0.07 -0.59 0.05 0.00 -1.01 0.00 0.00 55.97 54.35 2c7i s LYS 158 Cb -0.01 0.18 -0.00 0.00 -1.01 0.00 0.00 37.83 36.99 2c7i s LYS 158 CO 0.06 -0.10 -0.19 -1.17 0.51 0.00 0.00 175.35 174.46 2c7i s LEU 159 N -1.66 1.95 -0.02 3.17 2.96 0.53 -2.80 118.68 122.82 2c7i s LEU 159 Ca -0.12 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2c7i s LEU 159 Cb -0.06 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.54 2c7i s LEU 159 CO -0.01 0.17 -0.05 0.86 -1.32 0.00 0.00 176.35 176.00 2c7i s TRP 160 N 0.02 0.54 -0.01 5.38 -0.00 -0.51 -0.93 118.94 123.42 2c7i s TRP 160 Ca -0.05 -0.11 -0.03 0.00 -0.00 0.00 0.00 56.10 55.92 2c7i s TRP 160 Cb -0.12 -0.41 -0.00 0.00 -0.00 0.00 0.00 33.47 32.93 2c7i s TRP 160 CO 0.03 -0.06 0.06 -3.38 -0.00 0.00 0.00 176.95 173.60 2c7i s HIS 161 N 0.25 0.03 0.13 5.86 -3.43 -0.43 0.34 115.29 118.04 2c7i s HIS 161 Ca -0.03 -0.05 0.04 0.00 -0.80 0.00 0.00 55.06 54.22 2c7i s HIS 161 Cb -0.07 -0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.00 2c7i s HIS 161 CO -0.00 -0.13 -0.11 0.00 -2.00 0.00 0.00 174.74 172.50 2c7i s ALA 162 N -0.63 1.36 -0.11 -1.38 0.00 0.24 -1.24 121.76 119.99 2c7i s ALA 162 Ca -0.07 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.54 2c7i s ALA 162 Cb -0.04 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2c7i s ALA 162 CO 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 175.76 175.55 2c7i s ALA 163 N -2.89 1.73 -0.20 0.00 0.00 -0.67 -1.41 121.76 118.33 2c7i s ALA 163 Ca 0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 2c7i s ALA 163 Cb -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2c7i s ALA 163 CO 0.01 -0.06 -0.01 1.41 0.00 0.00 0.00 175.76 177.10 2c7i s MET 164 N 0.96 3.56 -0.15 0.00 1.75 0.29 -1.94 119.30 123.77 2c7i s MET 164 Ca -0.07 -0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 53.53 2c7i s MET 164 Cb -0.15 -3.06 -0.03 0.00 2.84 0.00 0.00 34.83 34.42 2c7i s MET 164 CO -0.01 -0.04 1.55 -0.51 -0.65 0.00 0.00 175.02 175.36 2c7i s LEU 165 N 1.11 4.11 -0.10 4.11 1.43 0.13 -1.22 118.68 128.24 2c7i s LEU 165 Ca 0.02 1.85 -0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2c7i s LEU 165 Cb -0.14 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2c7i s LEU 165 CO 0.01 -1.03 -0.12 0.52 0.23 0.00 0.00 176.35 175.96 2c7i n VAL 166 N 5.84 0.58 -2.74 -1.59 0.31 -0.42 -1.63 118.33 118.67 2c7i n VAL 166 Ca 0.17 -0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2c7i n VAL 166 Cb 0.44 -1.39 0.09 0.00 -0.91 0.00 0.00 33.84 32.07 2c7i n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c7i n HIS 167 N -3.26 -0.47 -1.40 3.52 1.44 -0.04 -2.93 115.22 112.09 2c7i n HIS 167 Ca -0.20 -1.98 -0.34 0.00 -2.01 0.00 0.00 57.72 53.19 2c7i n HIS 167 Cb 0.66 0.68 0.09 0.00 0.12 0.00 0.00 29.99 31.54 2c7i n HIS 167 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2c7i s THR 168 N -1.76 2.44 -0.83 0.61 2.01 -1.15 -4.51 115.64 112.45 2c7i s THR 168 Ca 0.19 0.20 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 2c7i s THR 168 Cb 0.39 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 70.23 2c7i s THR 168 CO -0.08 -0.13 1.31 -0.62 -0.69 0.00 0.00 174.62 174.42 2c7i s ASP 169 N -2.21 6.28 0.19 3.53 -1.08 -1.26 -4.85 116.67 117.27 2c7i s ASP 169 Ca 0.72 -0.83 0.21 0.00 -0.52 0.00 0.00 52.55 52.13 2c7i s ASP 169 Cb -0.27 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.52 2c7i s ASP 169 CO 0.46 -1.69 1.64 0.18 0.52 0.00 0.00 175.17 176.28 2c7i n LEU 170 N 9.05 0.49 0.04 -1.34 4.77 -1.26 -2.53 117.00 126.22 2c7i n LEU 170 Ca 0.12 0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 56.52 2c7i n LEU 170 Cb 0.49 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2c7i n LEU 170 CO 0.68 -0.49 -0.64 0.44 -1.33 0.00 0.00 177.39 176.05 2c7i h ASP 171 N 0.00 0.47 1.01 -1.43 3.32 -1.96 -3.17 116.42 114.65 2c7i h ASP 171 Ca 0.00 -0.86 -0.09 0.00 0.02 0.00 0.00 57.03 56.10 2c7i h ASP 171 Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2c7i h ASP 171 CO 0.00 1.75 -0.45 -0.03 -1.72 0.00 0.00 179.24 178.79 2c7i h MET 172 N 0.08 0.00 0.00 3.56 1.85 -1.95 -2.51 114.93 115.97 2c7i h MET 172 Ca -0.37 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.71 2c7i h MET 172 Cb 2.06 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 34.09 2c7i h MET 172 CO 0.13 0.45 -0.03 1.25 -0.40 0.00 0.00 176.91 178.31 2c7i h LEU 173 N 0.00 0.00 0.09 3.39 6.46 -1.59 -3.16 115.31 120.50 2c7i h LEU 173 Ca -0.00 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.55 2c7i h LEU 173 Cb 1.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2c7i h LEU 173 CO 0.06 0.03 -1.00 0.28 -0.62 0.00 0.00 178.44 177.18 2c7i h SER 174 N 0.00 0.30 0.00 1.25 0.02 -1.43 -3.28 113.55 110.41 2c7i h SER 174 Ca -0.00 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 2c7i h SER 174 Cb 0.49 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2c7i h SER 174 CO 0.00 1.44 0.06 0.00 -1.14 0.00 0.00 176.83 177.19 2c7i n ALA 175 N -2.88 0.90 -0.00 3.77 0.00 -0.98 -3.50 120.51 117.82 2c7i n ALA 175 Ca -0.20 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2c7i n ALA 175 Cb 0.79 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 2c7i n ALA 175 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2c7i n VAL 176 N -1.53 0.02 0.00 0.00 3.14 -1.22 -4.75 118.33 113.99 2c7i n VAL 176 Ca -0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2c7i n VAL 176 Cb 0.06 0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 2c7i n VAL 176 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2c7i n LEU 177 N -1.67 0.00 0.02 6.55 4.77 -1.23 -3.28 117.00 122.15 2c7i n LEU 177 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2c7i n LEU 177 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2c7i n LEU 177 CO 0.03 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.63 2c7i n ARG 193 N -1.19 0.00 0.00 3.23 3.00 -1.26 -4.84 116.66 115.60 2c7i n ARG 193 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.85 57.94 2c7i n ARG 193 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 32.46 33.08 2c7i n ARG 193 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2c7i n GLU 194 N -2.20 0.89 0.00 5.56 -0.00 -1.26 -3.84 120.64 119.79 2c7i n GLU 194 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.17 2c7i n GLU 194 Cb 0.00 -1.36 -0.00 0.00 -0.00 0.00 0.00 31.44 30.07 2c7i n GLU 194 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c7i n ARG 195 N -0.86 4.32 -4.19 3.44 -4.01 -1.26 -4.98 116.66 109.12 2c7i n ARG 195 Ca 0.16 -0.18 -0.26 0.00 -1.04 0.00 0.00 57.85 56.52 2c7i n ARG 195 Cb 0.07 -0.71 -0.07 0.00 -3.04 0.00 0.00 32.46 28.71 2c7i n ARG 195 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2c7i s VAL 196 N -0.85 3.84 0.10 8.89 1.01 -1.25 -1.35 120.40 130.78 2c7i s VAL 196 Ca 0.01 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 2c7i s VAL 196 Cb 0.01 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2c7i s VAL 196 CO 0.05 -0.12 0.22 0.00 0.00 0.00 0.00 175.10 175.26 2c7i s ALA 197 N -1.75 -0.32 0.32 5.51 0.00 -0.43 -4.84 121.76 120.26 2c7i s ALA 197 Ca 0.28 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 2c7i s ALA 197 Cb -0.09 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2c7i s ALA 197 CO 0.19 -0.53 0.56 -0.80 0.00 0.00 0.00 175.76 175.18 2c7i s ASN 198 N -2.86 6.38 0.46 0.00 0.02 -1.26 -4.33 114.94 113.35 2c7i s ASN 198 Ca 0.05 0.64 0.14 0.00 -1.02 0.00 0.00 52.86 52.67 2c7i s ASN 198 Cb 0.04 -2.11 1.08 0.00 0.02 0.00 0.00 41.25 40.28 2c7i s ASN 198 CO -0.11 -0.25 2.04 0.58 0.02 0.00 0.00 177.10 179.38 2c7i h VAL 199 N 1.09 0.95 0.06 1.60 2.07 -1.39 -2.98 116.25 117.65 2c7i h VAL 199 Ca -0.48 -0.11 -0.24 0.00 0.82 0.00 0.00 66.70 66.69 2c7i h VAL 199 Cb 1.20 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2c7i h VAL 199 CO 0.64 0.06 -1.09 0.71 0.02 0.00 0.00 177.57 177.91 2c7i h THR 200 N 0.32 1.58 -0.78 2.57 1.35 -1.59 0.82 112.91 117.17 2c7i h THR 200 Ca 0.19 -3.13 0.29 0.00 -0.55 0.00 0.00 66.41 63.21 2c7i h THR 200 Cb 0.33 2.83 -0.10 0.00 -1.73 0.00 0.00 68.15 69.49 2c7i h THR 200 CO -0.04 0.90 0.48 0.47 -0.25 0.00 0.00 175.52 177.08 2c7i n ASP 201 N -3.49 0.16 -0.06 5.36 8.00 -1.12 -3.32 116.55 122.09 2c7i n ASP 201 Ca -0.04 0.93 -0.07 0.00 0.71 0.00 0.00 54.79 56.32 2c7i n ASP 201 Cb 0.96 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 2c7i n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2c7i n PHE 202 N -4.11 0.00 -4.36 1.24 3.72 -0.90 -5.03 117.46 108.01 2c7i n PHE 202 Ca 0.25 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.36 2c7i n PHE 202 Cb 0.93 -0.37 -0.12 0.00 -0.94 0.00 0.00 39.48 38.98 2c7i n PHE 202 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2c7i s VAL 203 N -2.50 2.50 -0.95 -4.37 -7.23 0.23 -5.07 120.40 103.01 2c7i s VAL 203 Ca -0.21 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 2c7i s VAL 203 Cb 0.03 -2.12 0.14 0.00 0.56 0.00 0.00 36.38 34.98 2c7i s VAL 203 CO 0.31 0.10 1.14 -0.62 -0.31 0.00 0.00 175.10 175.72 2c7i s ASP 204 N -2.08 6.67 0.02 4.85 2.15 -1.26 -3.63 116.67 123.39 2c7i s ASP 204 Ca 0.16 -2.15 -0.02 0.00 0.43 0.00 0.00 52.55 50.96 2c7i s ASP 204 Cb -0.10 -2.39 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2c7i s ASP 204 CO 0.08 -1.01 0.02 -0.69 -0.17 0.00 0.00 175.17 173.39 2c7i s VAL 205 N 2.47 0.12 0.42 1.11 1.01 -1.26 -5.12 120.40 119.15 2c7i s VAL 205 Ca 0.33 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2c7i s VAL 205 Cb -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2c7i s VAL 205 CO -0.09 -0.56 0.65 -0.94 0.00 0.00 0.00 175.10 174.16 2c7i s SER 206 N -1.75 6.00 0.38 3.32 1.04 -1.26 -4.84 113.70 116.60 2c7i s SER 206 Ca -0.11 0.39 0.14 0.00 0.48 0.00 0.00 55.95 56.85 2c7i s SER 206 Cb -0.06 -1.74 0.96 0.00 0.10 0.00 0.00 66.02 65.28 2c7i s SER 206 CO -0.02 -0.58 1.84 0.40 0.98 0.00 0.00 173.24 175.86 2c7i h ILE 207 N 0.48 0.71 -0.05 -1.02 2.04 -1.97 -1.28 117.51 116.42 2c7i h ILE 207 Ca -0.47 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.05 2c7i h ILE 207 Cb 1.24 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2c7i h ILE 207 CO 0.59 0.10 -0.64 0.44 0.00 0.00 0.00 178.15 178.63 2c7i h ASP 208 N 0.54 0.22 -0.36 1.72 3.32 -1.99 -0.17 116.42 119.69 2c7i h ASP 208 Ca 0.49 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 2c7i h ASP 208 Cb 1.03 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2c7i h ASP 208 CO -0.22 0.80 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.41 2c7i h GLU 209 N 0.13 0.88 -0.28 3.56 5.08 -1.66 -0.99 114.58 121.31 2c7i h GLU 209 Ca -0.01 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2c7i h GLU 209 Cb 1.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2c7i h GLU 209 CO 0.10 1.11 0.09 0.28 -1.00 0.00 0.00 179.01 179.58 2c7i h VAL 210 N 0.68 1.20 -0.54 3.13 2.07 -1.01 -0.25 116.25 121.54 2c7i h VAL 210 Ca 0.06 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2c7i h VAL 210 Cb 0.94 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2c7i h VAL 210 CO 0.09 0.21 0.27 -0.09 0.02 0.00 0.00 177.57 178.07 2c7i h ARG 211 N 0.29 0.51 -0.58 1.57 2.43 -1.03 -0.84 114.38 116.73 2c7i h ARG 211 Ca 0.09 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2c7i h ARG 211 Cb 0.24 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2c7i h ARG 211 CO -0.00 0.34 0.00 -0.91 -1.51 0.00 0.00 179.97 177.89 2c7i h ASN 212 N 0.53 1.01 -0.29 -3.80 2.35 -0.87 -0.65 115.58 113.87 2c7i h ASN 212 Ca 0.24 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2c7i h ASN 212 Cb 0.15 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2c7i h ASN 212 CO -0.16 1.07 0.08 0.00 -1.65 0.00 0.00 177.43 176.76 2c7i h ALA 213 N 0.98 1.45 -0.19 -0.83 0.00 -0.84 -2.15 119.26 117.68 2c7i h ALA 213 Ca 0.17 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2c7i h ALA 213 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2c7i h ALA 213 CO 0.03 0.40 -0.64 -0.07 0.00 0.00 0.00 179.25 178.97 2c7i h LEU 214 N 0.53 0.79 -0.28 0.00 3.38 -0.55 0.53 115.31 119.71 2c7i h LEU 214 Ca 0.12 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2c7i h LEU 214 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2c7i h LEU 214 CO -0.00 1.23 0.17 0.40 0.09 0.00 0.00 178.44 180.33 2c7i h ILE 215 N 0.50 1.10 -0.43 1.22 2.04 -1.00 -0.23 117.51 120.71 2c7i h ILE 215 Ca -0.01 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 2c7i h ILE 215 Cb 1.23 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2c7i h ILE 215 CO 0.13 0.10 -0.10 -0.09 0.00 0.00 0.00 178.15 178.18 2c7i h ARG 216 N 0.35 0.82 -0.51 2.37 2.43 -1.29 0.23 114.38 118.78 2c7i h ARG 216 Ca 0.10 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.86 2c7i h ARG 216 Cb 0.01 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2c7i h ARG 216 CO -0.02 0.94 -0.07 0.78 -1.51 0.00 0.00 179.97 180.08 2c7i h GLY 217 N 0.65 1.03 1.80 2.80 0.00 -0.83 -1.76 103.07 106.77 2c7i h GLY 217 Ca 0.11 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.49 2c7i h GLY 217 CO 0.04 0.74 -0.55 0.74 0.00 0.00 0.00 176.54 177.52 2c7i h PHE 218 N 0.81 0.26 -0.04 5.60 -1.00 -0.98 0.30 116.94 121.89 2c7i h PHE 218 Ca 0.13 -0.09 -0.16 0.00 2.81 0.00 0.00 57.97 60.66 2c7i h PHE 218 Cb 0.62 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 2c7i h PHE 218 CO 0.05 0.71 -0.70 0.77 -1.61 0.00 0.00 178.31 177.52 2c7i h SER 219 N 0.16 0.23 0.16 2.17 0.02 -0.35 -1.98 113.55 113.95 2c7i h SER 219 Ca 0.00 -0.15 -0.35 0.00 -0.84 0.00 0.00 61.79 60.45 2c7i h SER 219 Cb 1.02 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 2c7i h SER 219 CO 0.08 0.86 -2.15 -1.84 -1.14 0.00 0.00 176.83 172.64 2c7i n GLU 220 N -3.78 0.68 -0.12 3.45 0.28 -0.68 -0.93 120.64 119.54 2c7i n GLU 220 Ca -0.03 0.16 -0.07 0.00 -0.16 0.00 0.00 57.16 57.06 2c7i n GLU 220 Cb 0.69 -1.63 0.01 0.00 1.43 0.00 0.00 31.44 31.94 2c7i n GLU 220 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2c7i h THR 221 N 0.01 1.02 0.00 3.84 2.02 -1.03 -3.22 112.91 115.55 2c7i h THR 221 Ca -0.46 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2c7i h THR 221 Cb 2.07 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2c7i h THR 221 CO 0.03 0.08 -0.52 0.18 0.37 0.00 0.00 175.52 175.66 2c7i n LEU 222 N -4.88 0.55 -2.79 2.58 4.77 -0.75 -4.98 117.00 111.51 2c7i n LEU 222 Ca 0.01 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 2c7i n LEU 222 Cb 0.07 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2c7i n LEU 222 CO 0.32 0.03 0.19 1.41 -1.33 0.00 0.00 177.39 178.01 2c7i n HIS 223 N -1.78 -2.23 -3.71 -1.77 8.25 -1.11 -4.96 115.22 107.91 2c7i n HIS 223 Ca 0.05 0.83 -0.11 0.00 -0.26 0.00 0.00 57.72 58.22 2c7i n HIS 223 Cb 0.38 -3.65 -0.12 0.00 1.12 0.00 0.00 29.99 27.72 2c7i n HIS 223 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2c7i s ILE 224 N -3.11 -0.03 -0.64 1.59 1.01 -0.11 -4.06 121.20 115.85 2c7i s ILE 224 Ca 0.13 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 2c7i s ILE 224 Cb -0.02 -0.51 0.07 0.00 0.01 0.00 0.00 42.46 42.02 2c7i s ILE 224 CO 0.59 0.05 0.92 1.51 0.00 0.00 0.00 174.94 178.01 2c7i s ASP 225 N 1.29 6.18 -0.12 3.58 -4.77 -0.22 -4.42 116.67 118.20 2c7i s ASP 225 Ca -0.09 -1.04 -0.28 0.00 -3.30 0.00 0.00 52.55 47.84 2c7i s ASP 225 Cb -0.09 -2.40 -0.01 0.00 -1.09 0.00 0.00 42.92 39.33 2c7i s ASP 225 CO -0.10 -1.38 0.94 -0.36 0.70 0.00 0.00 175.17 174.97 2c7i s PHE 226 N 3.82 3.50 -0.08 2.11 0.08 -1.26 0.10 117.98 126.25 2c7i s PHE 226 Ca 0.21 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.77 2c7i s PHE 226 Cb -0.18 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 2c7i s PHE 226 CO 0.10 -0.20 -0.19 1.03 -0.10 0.00 0.00 175.22 175.86 2c7i s ARG 227 N 1.93 2.40 -0.47 0.44 0.52 -0.61 -4.77 118.95 118.40 2c7i s ARG 227 Ca 0.45 -0.68 -0.44 0.00 -0.52 0.00 0.00 55.73 54.54 2c7i s ARG 227 Cb -0.18 -1.89 -0.19 0.00 0.52 0.00 0.00 34.95 33.22 2c7i s ARG 227 CO 0.17 0.14 1.63 -1.91 0.02 0.00 0.00 175.30 175.35 2c7i n GLU 228 N 3.56 0.00 -4.66 3.54 4.07 -1.26 -1.73 120.64 124.17 2c7i n GLU 228 Ca -0.20 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.58 2c7i n GLU 228 Cb 0.52 -1.41 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 2c7i n GLU 228 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2c7i s ASP 229 N 3.54 4.18 0.43 4.31 -1.08 -0.86 -4.81 116.67 122.38 2c7i s ASP 229 Ca 1.02 -1.59 0.07 0.00 -0.52 0.00 0.00 52.55 51.53 2c7i s ASP 229 Cb -1.41 0.47 -0.04 0.00 -1.46 0.00 0.00 42.92 40.48 2c7i s ASP 229 CO 0.73 -0.86 0.21 0.42 0.52 0.00 0.00 175.17 176.20 2c7i s THR 230 N -2.86 2.20 0.29 1.71 -4.23 -1.26 -4.52 115.64 106.96 2c7i s THR 230 Ca 0.10 -1.66 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 2c7i s THR 230 Cb 0.02 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 2c7i s THR 230 CO 0.06 0.00 1.23 -0.51 -0.54 0.00 0.00 174.62 174.86 2c7i s ILE 231 N -2.62 3.09 0.59 2.99 2.07 -1.26 -5.02 121.20 121.04 2c7i s ILE 231 Ca 0.39 1.05 -0.13 0.00 -1.41 0.00 0.00 60.65 60.55 2c7i s ILE 231 Cb 0.02 -3.67 -0.05 0.00 0.13 0.00 0.00 42.46 38.90 2c7i s ILE 231 CO 0.22 0.23 1.02 0.42 -1.91 0.00 0.00 174.94 174.92 2c7i s THR 232 N -0.89 4.52 0.26 4.00 -4.23 -1.26 -4.89 115.64 113.15 2c7i s THR 232 Ca 0.49 0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 61.96 2c7i s THR 232 Cb -0.36 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 69.98 2c7i s THR 232 CO 0.46 -0.92 1.75 1.05 -0.54 0.00 0.00 174.62 176.42 2c7i h GLU 233 N 0.11 0.56 0.17 3.99 9.09 -1.98 -0.76 114.58 125.76 2c7i h GLU 233 Ca -0.45 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 58.92 2c7i h GLU 233 Cb 1.19 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 2c7i h GLU 233 CO 0.61 0.37 -0.08 1.57 0.05 0.00 0.00 179.01 181.52 2c7i h LYS 234 N 0.57 -0.23 -0.94 1.06 5.09 -1.99 0.14 116.57 120.28 2c7i h LYS 234 Ca 0.46 0.02 0.15 0.00 0.09 0.00 0.00 60.65 61.36 2c7i h LYS 234 Cb 0.68 0.05 -0.09 0.00 0.10 0.00 0.00 32.23 32.97 2c7i h LYS 234 CO -0.38 -0.01 0.55 0.93 -2.09 0.00 0.00 179.45 178.44 2c7i h GLU 235 N -0.41 0.77 -0.02 0.07 5.08 -1.83 -1.32 114.58 116.93 2c7i h GLU 235 Ca -0.02 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 2c7i h GLU 235 Cb 0.32 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2c7i h GLU 235 CO 0.04 0.51 -0.90 1.49 -1.00 0.00 0.00 179.01 179.15 2c7i h GLU 236 N 0.79 0.41 -0.46 2.33 4.57 -0.76 -1.45 114.58 120.02 2c7i h GLU 236 Ca 0.50 -0.42 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 2c7i h GLU 236 Cb 0.65 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 2c7i h GLU 236 CO -0.33 1.08 -0.09 0.66 -1.18 0.00 0.00 179.01 179.15 2c7i h SER 237 N 0.24 0.87 0.07 1.04 4.64 -0.29 -2.43 113.55 117.69 2c7i h SER 237 Ca -0.07 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2c7i h SER 237 Cb 1.52 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2c7i h SER 237 CO 0.15 1.02 -0.03 0.25 -0.87 0.00 0.00 176.83 177.35 2c7i h LEU 238 N 0.71 -0.08 -0.49 5.97 5.85 -1.23 -2.45 115.31 123.59 2c7i h LEU 238 Ca 0.12 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2c7i h LEU 238 Cb 0.63 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2c7i h LEU 238 CO 0.04 0.03 0.10 0.00 -0.34 0.00 0.00 178.44 178.28 2c7i h ALA 239 N 0.73 0.55 -0.49 1.25 0.00 -1.24 0.63 119.26 120.70 2c7i h ALA 239 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2c7i h ALA 239 Cb 0.16 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2c7i h ALA 239 CO 0.02 -0.30 0.14 0.07 0.00 0.00 0.00 179.25 179.17 2c7i h ARG 240 N 0.24 0.78 -0.57 0.00 -0.00 -1.43 -0.75 114.38 112.65 2c7i h ARG 240 Ca 0.24 -0.18 0.08 0.00 -0.00 0.00 0.00 59.98 60.12 2c7i h ARG 240 Cb 0.32 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.97 30.12 2c7i h ARG 240 CO -0.31 0.74 0.23 1.49 -0.00 0.00 0.00 179.97 182.12 2c7i h GLU 241 N 0.67 0.42 -0.33 0.08 4.81 -0.85 0.08 114.58 119.46 2c7i h GLU 241 Ca 0.16 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2c7i h GLU 241 Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2c7i h GLU 241 CO -0.00 0.28 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.28 2c7i h LEU 242 N 0.43 0.63 0.10 1.64 3.38 -0.29 -1.68 115.31 119.51 2c7i h LEU 242 Ca 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2c7i h LEU 242 Cb 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2c7i h LEU 242 CO -0.25 0.83 -0.05 0.15 0.09 0.00 0.00 178.44 179.21 2c7i h PHE 243 N 0.56 -0.12 0.31 1.13 3.57 -0.61 0.78 116.94 122.55 2c7i h PHE 243 Ca 0.08 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2c7i h PHE 243 Cb 0.66 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2c7i h PHE 243 CO 0.03 0.25 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.72 2c7i h ASP 244 N -0.51 -0.48 1.27 0.41 3.32 -0.92 -0.26 116.42 119.25 2c7i h ASP 244 Ca -0.01 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2c7i h ASP 244 Cb 0.42 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2c7i h ASP 244 CO 0.02 -0.31 -0.53 0.11 -1.72 0.00 0.00 179.24 176.81 2c7i h LYS 245 N -0.49 0.00 0.00 3.56 6.56 -1.41 -3.43 116.57 121.37 2c7i h LYS 245 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2c7i h LYS 245 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2c7i h LYS 245 CO 0.03 0.53 0.00 1.17 -2.06 0.00 0.00 179.45 179.12 2c7i n LYS 246 N -3.32 0.00 0.25 3.15 4.81 0.08 -4.82 118.16 118.31 2c7i n LYS 246 Ca 0.01 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.62 2c7i n LYS 246 Cb 0.70 0.00 0.88 0.00 0.02 0.00 0.00 35.03 36.63 2c7i n LYS 246 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2c7i h TYR 247 N 0.00 0.00 -0.01 5.64 0.05 -1.05 -1.06 116.97 120.54 2c7i h TYR 247 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2c7i h TYR 247 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2c7i h TYR 247 CO 0.00 0.00 -0.06 -1.13 -1.05 0.00 0.00 178.16 175.92 2c7i n SER 248 N -3.74 1.01 -4.90 3.88 3.41 -0.11 -4.80 113.62 108.37 2c7i n SER 248 Ca -0.00 -1.16 -0.28 0.00 -0.26 0.00 0.00 58.87 57.16 2c7i n SER 248 Cb 0.23 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 2c7i n SER 248 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2c7i s THR 249 N -2.16 5.18 -0.76 6.66 -4.23 -0.40 -5.01 115.64 114.91 2c7i s THR 249 Ca 0.36 -0.63 0.26 0.00 -1.18 0.00 0.00 61.69 60.50 2c7i s THR 249 Cb 0.21 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.73 2c7i s THR 249 CO 0.39 0.02 1.79 -0.62 -0.54 0.00 0.00 174.62 175.66 2c7i n GLU 250 N -0.11 0.22 -0.10 3.99 1.02 -1.26 -2.47 120.64 121.93 2c7i n GLU 250 Ca -0.07 0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 57.18 2c7i n GLU 250 Cb 0.53 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2c7i n GLU 250 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2c7i h GLU 251 N 0.00 0.44 0.16 3.49 3.07 -1.91 -2.86 114.58 116.98 2c7i h GLU 251 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2c7i h GLU 251 Cb 0.68 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2c7i h GLU 251 CO 0.00 0.29 -0.08 2.35 -1.40 0.00 0.00 179.01 180.18 2c7i h TRP 252 N 0.45 -0.20 0.00 4.33 2.91 -1.74 -2.44 115.95 119.27 2c7i h TRP 252 Ca 0.12 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.08 2c7i h TRP 252 Cb -0.05 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2c7i h TRP 252 CO -0.05 0.24 -0.27 -0.91 -1.03 0.00 0.00 178.44 176.41 2c7i h ASN 253 N -0.88 0.00 0.00 2.65 4.21 -1.59 -3.30 115.58 116.66 2c7i h ASN 253 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2c7i h ASN 253 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 2c7i h ASN 253 CO 0.04 0.27 -0.28 0.23 -1.29 0.00 0.00 177.43 176.40 2c7i n MET 254 N -3.23 4.28 -0.79 0.81 2.81 -1.08 -4.48 117.12 115.44 2c7i n MET 254 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2c7i n MET 254 Cb 0.58 -0.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 2c7i n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c7i n GLY 255 N 1.27 0.91 0.73 3.03 0.00 -0.94 -4.73 105.19 105.46 2c7i n GLY 255 Ca 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2c7i n GLY 255 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36