#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3s h GLY 2 N 0.00 0.00 -6.75 0.46 0.00 -1.87 -3.38 103.07 91.53 2c3s h GLY 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2c3s h GLY 2 CO 0.00 0.00 -0.71 -0.12 0.00 0.00 0.00 176.54 175.71 2c3s s PHE 3 N -4.04 -0.00 0.22 5.60 5.36 -1.26 -5.02 117.98 118.84 2c3s s PHE 3 Ca -0.02 -0.44 -0.27 0.00 -0.96 0.00 0.00 56.93 55.24 2c3s s PHE 3 Cb 0.12 -0.67 -0.09 0.00 -0.34 0.00 0.00 43.02 42.04 2c3s s PHE 3 CO 0.60 -0.78 0.87 1.03 -1.46 0.00 0.00 175.22 175.48 2c3s s ARG 4 N 2.21 4.68 0.12 10.12 0.52 -1.26 -5.03 118.95 130.31 2c3s s ARG 4 Ca 0.08 1.31 -0.31 0.00 -0.52 0.00 0.00 55.73 56.29 2c3s s ARG 4 Cb -0.15 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.06 2c3s s ARG 4 CO -0.28 0.50 1.28 0.21 0.02 0.00 0.00 175.30 177.02 2c3s s LYS 5 N -1.35 4.40 -0.08 3.54 2.20 -1.26 -5.01 119.74 122.17 2c3s s LYS 5 Ca 0.41 1.94 0.05 0.00 -0.36 0.00 0.00 55.97 58.00 2c3s s LYS 5 Cb -0.23 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2c3s s LYS 5 CO 0.28 -0.29 -0.24 1.41 -0.36 0.00 0.00 175.35 176.16 2c3s s MET 6 N 0.64 2.86 0.28 4.03 -2.45 -1.26 -4.99 119.30 118.41 2c3s s MET 6 Ca 0.59 -0.88 0.01 0.00 -1.25 0.00 0.00 55.69 54.16 2c3s s MET 6 Cb -0.34 -2.26 -0.04 0.00 1.25 0.00 0.00 34.83 33.45 2c3s s MET 6 CO 0.32 0.27 0.46 0.00 1.05 0.00 0.00 175.02 177.12 2c3s s ALA 7 N 0.13 3.78 0.56 4.11 0.00 -1.26 -4.85 121.76 124.23 2c3s s ALA 7 Ca -0.12 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 2c3s s ALA 7 Cb -0.16 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 2c3s s ALA 7 CO 0.07 0.19 1.03 -0.06 0.00 0.00 0.00 175.76 176.98 2c3s s PHE 8 N -2.10 3.21 0.29 0.00 0.08 -1.26 -4.97 117.98 113.22 2c3s s PHE 8 Ca 0.39 1.49 -0.30 0.00 0.12 0.00 0.00 56.93 58.63 2c3s s PHE 8 Cb -0.10 -2.91 -0.11 0.00 -0.57 0.00 0.00 43.02 39.34 2c3s s PHE 8 CO 0.32 -0.78 1.48 -2.14 -0.10 0.00 0.00 175.22 174.00 2c3s s PRO 9 N -4.11 4.21 0.00 0.24 0.02 -1.26 -4.92 135.00 129.18 2c3s s PRO 9 Ca 0.61 2.42 0.25 0.00 0.02 0.00 0.00 61.00 64.30 2c3s s PRO 9 Cb -0.13 -3.06 0.46 0.00 0.02 0.00 0.00 34.50 31.79 2c3s s PRO 9 CO 0.35 -0.48 1.39 -1.13 -0.33 0.00 0.00 177.00 176.80 2c3s n SER 10 N 1.86 1.65 -0.29 2.53 3.41 -1.26 -4.62 113.62 116.90 2c3s n SER 10 Ca 0.06 -1.31 0.03 0.00 -0.26 0.00 0.00 58.87 57.39 2c3s n SER 10 Cb 0.39 0.23 0.10 0.00 -0.26 0.00 0.00 64.21 64.68 2c3s n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c3s h GLY 11 N 4.87 0.60 1.98 5.00 0.00 -2.00 -0.19 103.07 113.33 2c3s h GLY 11 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 2c3s h GLY 11 CO 0.00 -0.31 -0.11 0.50 0.00 0.00 0.00 176.54 176.62 2c3s h LYS 12 N 0.00 0.03 0.05 4.80 1.57 -1.97 -2.84 116.57 118.20 2c3s h LYS 12 Ca 0.40 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.89 2c3s h LYS 12 Cb 0.60 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2c3s h LYS 12 CO -0.85 0.14 -1.50 0.28 -0.57 0.00 0.00 179.45 176.95 2c3s h VAL 13 N 0.03 1.15 -0.69 0.50 2.07 -1.44 -3.36 116.25 114.50 2c3s h VAL 13 Ca 0.00 -2.89 0.10 0.00 0.82 0.00 0.00 66.70 64.74 2c3s h VAL 13 Cb 0.21 2.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.55 2c3s h VAL 13 CO 0.01 0.74 0.32 -0.33 0.02 0.00 0.00 177.57 178.33 2c3s h GLU 14 N 0.03 0.52 0.00 1.57 5.08 -0.87 -0.63 114.58 120.28 2c3s h GLU 14 Ca -0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2c3s h GLU 14 Cb 1.96 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2c3s h GLU 14 CO 0.12 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 2c3s n GLY 15 N -1.30 -0.46 0.20 -3.84 0.00 -1.21 -2.61 105.19 95.96 2c3s n GLY 15 Ca 0.11 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2c3s n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3s s MET 17 N -1.61 4.43 0.28 0.00 -1.94 -1.07 0.04 119.30 119.42 2c3s s MET 17 Ca 0.08 1.00 0.02 0.00 -1.71 0.00 0.00 55.69 55.09 2c3s s MET 17 Cb 0.09 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 2c3s s MET 17 CO 0.33 -0.04 0.12 0.14 -0.01 0.00 0.00 175.02 175.56 2c3s s VAL 18 N 1.13 0.45 -0.10 -6.03 -7.23 -0.36 -4.67 120.40 103.60 2c3s s VAL 18 Ca 0.40 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2c3s s VAL 18 Cb -0.18 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2c3s s VAL 18 CO 0.19 0.00 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.33 2c3s s GLN 19 N -3.93 3.07 -0.09 4.82 0.74 -0.11 -0.40 119.66 123.76 2c3s s GLN 19 Ca 0.36 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 55.23 2c3s s GLN 19 Cb 0.06 -2.67 0.01 0.00 1.10 0.00 0.00 33.01 31.51 2c3s s GLN 19 CO 0.15 0.49 -0.16 0.08 -0.55 0.00 0.00 175.29 175.31 2c3s s VAL 20 N -0.34 1.46 0.05 1.34 1.01 -0.34 -0.57 120.40 123.01 2c3s s VAL 20 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2c3s s VAL 20 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2c3s s VAL 20 CO 0.02 0.43 -0.22 -0.89 0.00 0.00 0.00 175.10 174.45 2c3s s THR 21 N 0.80 1.75 -0.31 3.92 2.01 -0.22 -1.39 115.64 122.20 2c3s s THR 21 Ca -0.11 -1.29 0.02 0.00 0.31 0.00 0.00 61.69 60.62 2c3s s THR 21 Cb -0.16 -1.53 0.15 0.00 0.01 0.00 0.00 72.50 70.98 2c3s s THR 21 CO 0.02 0.18 0.37 0.00 -0.69 0.00 0.00 174.62 174.51 2c3s n GLY 23 N 5.06 1.04 0.01 0.00 0.00 -1.26 -2.64 105.19 107.40 2c3s n GLY 23 Ca 0.02 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.54 2c3s n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2c3s n THR 24 N 0.00 0.00 -3.31 2.61 -1.04 -1.26 -4.79 114.28 106.49 2c3s n THR 24 Ca 0.00 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2c3s n THR 24 Cb 0.00 -0.42 -0.07 0.00 -1.82 0.00 0.00 70.33 68.02 2c3s n THR 24 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2c3s s THR 25 N -2.84 5.15 -0.05 12.58 2.01 -1.08 -5.06 115.64 126.35 2c3s s THR 25 Ca 0.19 0.85 0.02 0.00 0.31 0.00 0.00 61.69 63.06 2c3s s THR 25 Cb 0.19 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2c3s s THR 25 CO 0.52 0.22 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.70 2c3s s THR 26 N 1.40 0.78 0.30 -0.82 2.01 -1.26 -0.75 115.64 117.30 2c3s s THR 26 Ca 0.22 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2c3s s THR 26 Cb -0.15 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2c3s s THR 26 CO 0.09 0.27 0.43 0.00 -0.69 0.00 0.00 174.62 174.72 2c3s n LEU 27 N 3.83 0.00 -4.84 4.42 -0.00 -0.48 -4.59 117.00 115.34 2c3s n LEU 27 Ca -0.24 -2.39 -0.34 0.00 -0.00 0.00 0.00 56.01 53.05 2c3s n LEU 27 Cb 0.52 2.22 -0.06 0.00 -0.00 0.00 0.00 43.42 46.10 2c3s n LEU 27 CO 0.24 -0.56 0.36 0.20 -0.00 0.00 0.00 177.39 177.63 2c3s s ASN 28 N -2.82 6.83 0.13 1.45 0.01 -0.52 -1.20 114.94 118.81 2c3s s ASN 28 Ca 0.24 1.23 0.04 0.00 -0.71 0.00 0.00 52.86 53.66 2c3s s ASN 28 Cb -0.01 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 2c3s s ASN 28 CO 0.17 -0.09 -0.10 -0.83 -1.51 0.00 0.00 177.10 174.75 2c3s s GLY 29 N -2.06 0.98 -0.24 0.66 0.00 0.46 -4.28 107.32 102.84 2c3s s GLY 29 Ca 0.48 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 2c3s s GLY 29 CO 0.19 -1.50 -0.06 -2.27 0.00 0.00 0.00 173.10 169.46 2c3s s LEU 30 N -2.98 3.13 -0.41 0.66 2.96 0.19 -1.22 118.68 121.00 2c3s s LEU 30 Ca 0.13 -0.78 -0.14 0.00 -0.22 0.00 0.00 54.13 53.13 2c3s s LEU 30 Cb 0.02 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 45.06 2c3s s LEU 30 CO -0.00 -0.11 0.28 0.86 -1.32 0.00 0.00 176.35 176.06 2c3s s TRP 31 N 1.36 3.25 -0.12 5.38 -0.00 0.11 -0.80 118.94 128.11 2c3s s TRP 31 Ca 0.01 -0.78 0.01 0.00 -0.00 0.00 0.00 56.10 55.35 2c3s s TRP 31 Cb -0.16 -2.63 0.02 0.00 -0.00 0.00 0.00 33.47 30.70 2c3s s TRP 31 CO -0.04 -0.64 -0.15 -0.51 -0.00 0.00 0.00 176.95 175.60 2c3s s LEU 32 N 1.63 1.72 0.00 5.86 1.43 -0.48 -4.65 118.68 124.19 2c3s s LEU 32 Ca 0.04 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2c3s s LEU 32 Cb -0.20 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.89 2c3s s LEU 32 CO 0.08 -0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.13 2c3s n ASP 33 N 4.38 0.00 -1.83 2.29 8.00 -1.26 -1.59 116.55 126.54 2c3s n ASP 33 Ca -0.18 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.13 2c3s n ASP 33 Cb 0.51 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.76 2c3s n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2c3s n ASP 34 N 5.02 4.15 -4.01 -2.24 3.85 -1.26 0.30 116.55 122.36 2c3s n ASP 34 Ca 0.00 -3.73 -0.20 0.00 -0.71 0.00 0.00 54.79 50.15 2c3s n ASP 34 Cb 0.00 -0.74 -0.15 0.00 -1.35 0.00 0.00 41.12 38.88 2c3s n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2c3s s THR 35 N -3.72 0.77 -0.18 2.12 2.01 -0.62 -1.24 115.64 114.78 2c3s s THR 35 Ca 0.53 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2c3s s THR 35 Cb 0.45 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 72.29 2c3s s THR 35 CO 0.04 0.24 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.38 2c3s s VAL 36 N 0.10 2.69 -0.11 3.82 1.01 0.43 -1.39 120.40 126.95 2c3s s VAL 36 Ca -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2c3s s VAL 36 Cb -0.07 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2c3s s VAL 36 CO 0.00 0.50 0.07 -0.31 0.00 0.00 0.00 175.10 175.36 2c3s s TYR 37 N 1.16 3.36 0.18 5.22 1.51 0.02 -0.83 117.35 127.98 2c3s s TYR 37 Ca 0.01 0.33 -0.20 0.00 -1.01 0.00 0.00 57.07 56.19 2c3s s TYR 37 Cb -0.14 -1.89 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2c3s s TYR 37 CO -0.05 0.55 0.58 0.00 -1.11 0.00 0.00 175.55 175.51 2c3s n PRO 39 N -0.36 2.66 0.21 0.00 -0.02 -1.26 -0.34 135.00 135.88 2c3s n PRO 39 Ca -0.13 0.94 0.15 0.00 -2.02 0.00 0.00 63.50 62.44 2c3s n PRO 39 Cb 0.63 -2.70 0.64 0.00 -0.02 0.00 0.00 33.50 32.05 2c3s n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2c3s h ARG 40 N 4.13 0.00 0.00 -0.52 0.11 -1.58 -2.76 114.38 113.76 2c3s h ARG 40 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2c3s h ARG 40 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2c3s h ARG 40 CO 0.74 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.42 2c3s n HIS 41 N -2.66 0.00 0.28 4.08 1.44 -1.26 -2.05 115.22 115.05 2c3s n HIS 41 Ca 0.01 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.88 2c3s n HIS 41 Cb 0.23 -0.02 0.82 0.00 0.12 0.00 0.00 29.99 31.14 2c3s n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2c3s h VAL 42 N 0.00 0.29 -0.01 0.61 3.04 -1.87 -1.26 116.25 117.05 2c3s h VAL 42 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2c3s h VAL 42 Cb 0.01 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2c3s h VAL 42 CO 0.00 0.06 -0.08 2.30 -1.01 0.00 0.00 177.57 178.84 2c3s n ILE 43 N -3.36 0.00 -3.78 3.17 -5.35 -0.87 -4.52 119.36 104.65 2c3s n ILE 43 Ca -0.01 -0.10 -0.33 0.00 -0.27 0.00 0.00 62.75 62.03 2c3s n ILE 43 Cb 0.23 0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.09 2c3s n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2c3s s THR 45 N -1.39 3.73 0.43 0.00 -4.23 -1.26 -4.87 115.64 108.04 2c3s s THR 45 Ca 0.31 -0.62 0.19 0.00 -1.18 0.00 0.00 61.69 60.38 2c3s s THR 45 Cb -0.13 -3.36 0.39 0.00 1.34 0.00 0.00 72.50 70.73 2c3s s THR 45 CO 0.19 -0.23 1.86 0.00 -0.54 0.00 0.00 174.62 175.90 2c3s h ALA 46 N 0.42 2.25 0.06 3.99 0.00 -1.99 -0.69 119.26 123.31 2c3s h ALA 46 Ca -0.45 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 2c3s h ALA 46 Cb 1.26 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2c3s h ALA 46 CO 0.55 -0.53 -1.05 0.93 0.00 0.00 0.00 179.25 179.15 2c3s h GLU 47 N 0.37 0.61 -0.66 0.00 5.08 -2.03 -3.21 114.58 114.74 2c3s h GLU 47 Ca 0.46 -0.73 0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2c3s h GLU 47 Cb 1.19 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 2c3s h GLU 47 CO -0.16 1.32 0.44 -0.44 -1.00 0.00 0.00 179.01 179.16 2c3s h ASP 48 N 0.22 0.44 0.01 1.42 3.32 -1.52 -2.07 116.42 118.25 2c3s h ASP 48 Ca -0.15 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2c3s h ASP 48 Cb 1.73 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 2c3s h ASP 48 CO 0.20 0.26 -0.01 0.24 -1.72 0.00 0.00 179.24 178.21 2c3s h MET 49 N 0.49 0.00 -0.76 3.56 2.86 -1.36 0.18 114.93 119.90 2c3s h MET 49 Ca 0.30 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 2c3s h MET 49 Cb 0.54 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 2c3s h MET 49 CO -0.09 0.01 0.46 1.25 1.06 0.00 0.00 176.91 179.60 2c3s h LEU 50 N 0.00 0.72 -5.28 1.22 7.12 -1.49 0.82 115.31 118.42 2c3s h LEU 50 Ca -0.00 0.02 -0.16 0.00 0.13 0.00 0.00 57.88 57.87 2c3s h LEU 50 Cb 0.02 -0.13 -0.18 0.00 -0.53 0.00 0.00 40.66 39.84 2c3s h LEU 50 CO 0.00 0.47 -0.51 0.21 -0.13 0.00 0.00 178.44 178.49 2c3s s ASN 51 N -5.71 -1.29 0.27 1.25 3.84 -0.98 -4.41 114.94 107.90 2c3s s ASN 51 Ca -0.13 -1.61 -0.21 0.00 0.21 0.00 0.00 52.86 51.13 2c3s s ASN 51 Cb 0.17 1.79 -0.09 0.00 -0.55 0.00 0.00 41.25 42.57 2c3s s ASN 51 CO 0.78 -0.08 0.79 -2.16 -2.79 0.00 0.00 177.10 173.64 2c3s s PRO 52 N 1.04 4.31 -0.69 0.43 0.04 0.01 -4.94 135.00 135.20 2c3s s PRO 52 Ca 0.27 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.33 2c3s s PRO 52 Cb -0.01 -2.78 0.17 0.00 0.04 0.00 0.00 34.50 31.92 2c3s s PRO 52 CO -0.06 0.32 0.49 1.21 0.04 0.00 0.00 177.00 179.00 2c3s s ASN 53 N -1.73 4.93 0.20 6.66 3.04 -1.26 -4.99 114.94 121.79 2c3s s ASN 53 Ca 0.47 -3.60 -0.11 0.00 0.04 0.00 0.00 52.86 49.66 2c3s s ASN 53 Cb -0.16 -1.70 0.26 0.00 -1.54 0.00 0.00 41.25 38.11 2c3s s ASN 53 CO 0.21 -0.15 1.70 1.88 -3.04 0.00 0.00 177.10 177.70 2c3s h TYR 54 N 5.83 0.12 -0.93 0.43 -1.99 -1.97 0.21 116.97 118.67 2c3s h TYR 54 Ca 0.09 0.04 0.10 0.00 2.00 0.00 0.00 58.73 60.96 2c3s h TYR 54 Cb 0.80 0.03 -0.08 0.00 2.00 0.00 0.00 36.73 39.49 2c3s h TYR 54 CO 0.66 -0.06 0.56 0.93 -0.00 0.00 0.00 178.16 180.25 2c3s h GLU 55 N 0.21 0.91 -0.07 4.88 3.07 -1.99 0.32 114.58 121.90 2c3s h GLU 55 Ca 0.29 -0.05 -0.24 0.00 -0.50 0.00 0.00 59.36 58.86 2c3s h GLU 55 Cb 0.44 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2c3s h GLU 55 CO -0.41 0.60 -0.90 0.22 -1.40 0.00 0.00 179.01 177.13 2c3s h ASP 56 N 0.93 0.86 -0.10 1.42 3.58 -1.74 -2.63 116.42 118.73 2c3s h ASP 56 Ca 0.44 -0.62 -0.10 0.00 0.42 0.00 0.00 57.03 57.17 2c3s h ASP 56 Cb 0.38 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2c3s h ASP 56 CO -0.24 1.42 -0.26 -0.07 -2.88 0.00 0.00 179.24 177.20 2c3s h LEU 57 N 0.44 0.56 -0.50 2.28 3.38 0.20 -3.05 115.31 118.61 2c3s h LEU 57 Ca -0.08 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 2c3s h LEU 57 Cb 1.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2c3s h LEU 57 CO 0.18 0.81 -0.41 0.25 0.09 0.00 0.00 178.44 179.36 2c3s h LEU 58 N 0.49 0.83 -1.21 1.67 5.85 -0.40 -3.03 115.31 119.51 2c3s h LEU 58 Ca 0.07 -0.38 0.16 0.00 0.84 0.00 0.00 57.88 58.56 2c3s h LEU 58 Cb 0.71 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 2c3s h LEU 58 CO 0.05 1.13 0.60 0.40 -0.34 0.00 0.00 178.44 180.29 2c3s h ILE 59 N 0.63 0.80 0.00 4.05 5.03 -1.35 0.18 117.51 126.84 2c3s h ILE 59 Ca 0.05 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 2c3s h ILE 59 Cb 0.97 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 2c3s h ILE 59 CO 0.09 0.13 0.00 0.54 -0.68 0.00 0.00 178.15 178.23 2c3s n ARG 60 N -4.61 0.37 -3.76 2.37 3.00 -1.14 -4.79 116.66 108.09 2c3s n ARG 60 Ca 0.19 0.07 -0.20 0.00 -0.01 0.00 0.00 57.85 57.91 2c3s n ARG 60 Cb 0.51 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 2c3s n ARG 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2c3s s LYS 61 N -2.46 3.25 0.15 5.56 -0.14 0.62 -5.12 119.74 121.61 2c3s s LYS 61 Ca 0.22 -0.91 -0.01 0.00 -1.36 0.00 0.00 55.97 53.91 2c3s s LYS 61 Cb 0.14 -2.83 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 2c3s s LYS 61 CO 0.30 0.26 0.08 -1.12 -0.76 0.00 0.00 175.35 174.11 2c3s s SER 62 N -4.05 0.25 0.25 2.83 0.01 -1.26 -5.02 113.70 106.70 2c3s s SER 62 Ca 0.39 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 2c3s s SER 62 Cb -0.09 0.33 0.46 0.00 0.21 0.00 0.00 66.02 66.92 2c3s s SER 62 CO 0.30 -0.77 1.75 0.78 0.41 0.00 0.00 173.24 175.71 2c3s h ASN 63 N 2.78 0.41 0.13 2.44 2.35 -1.94 0.21 115.58 121.96 2c3s h ASN 63 Ca -0.35 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2c3s h ASN 63 Cb 1.22 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2c3s h ASN 63 CO 0.57 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 2c3s n HIS 64 N -4.92 0.00 0.76 1.19 1.44 -1.26 -2.23 115.22 110.20 2c3s n HIS 64 Ca 0.15 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.98 2c3s n HIS 64 Cb 0.39 -0.15 0.38 0.00 0.12 0.00 0.00 29.99 30.72 2c3s n HIS 64 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2c3s n SER 65 N -1.15 0.53 -4.43 4.39 7.64 0.73 -4.78 113.62 116.54 2c3s n SER 65 Ca 0.08 0.32 -0.34 0.00 1.01 0.00 0.00 58.87 59.93 2c3s n SER 65 Cb 0.08 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2c3s n SER 65 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2c3s s PHE 66 N -3.08 3.00 -0.41 1.43 0.08 -0.94 -4.56 117.98 113.50 2c3s s PHE 66 Ca 0.10 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.57 2c3s s PHE 66 Cb 0.15 -2.03 0.09 0.00 -0.57 0.00 0.00 43.02 40.66 2c3s s PHE 66 CO 0.63 -0.23 0.24 -1.17 -0.10 0.00 0.00 175.22 174.58 2c3s s LEU 67 N 0.83 5.13 -0.23 -0.37 2.96 -0.47 -4.75 118.68 121.78 2c3s s LEU 67 Ca -0.01 -1.63 -0.09 0.00 -0.22 0.00 0.00 54.13 52.18 2c3s s LEU 67 Cb -0.14 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2c3s s LEU 67 CO 0.02 -0.53 0.12 -0.69 -1.32 0.00 0.00 176.35 173.95 2c3s s VAL 68 N 1.35 4.99 -0.12 1.68 1.01 -1.26 -1.05 120.40 127.00 2c3s s VAL 68 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2c3s s VAL 68 Cb -0.23 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2c3s s VAL 68 CO 0.00 0.36 -0.11 -1.58 0.00 0.00 0.00 175.10 173.78 2c3s s GLN 69 N 1.11 1.81 -0.52 2.72 0.74 0.26 -0.15 119.66 125.63 2c3s s GLN 69 Ca 0.06 -0.38 -0.10 0.00 0.05 0.00 0.00 55.36 54.99 2c3s s GLN 69 Cb -0.14 -1.72 0.13 0.00 1.10 0.00 0.00 33.01 32.38 2c3s s GLN 69 CO 0.04 -0.20 0.41 0.00 -0.55 0.00 0.00 175.29 174.99 2c3s s ALA 70 N 1.46 3.50 0.00 1.58 0.00 0.55 -0.93 121.76 127.92 2c3s s ALA 70 Ca 0.02 -2.64 0.00 0.00 0.00 0.00 0.00 51.96 49.33 2c3s s ALA 70 Cb -0.13 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2c3s s ALA 70 CO -0.07 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.13 2c3s n GLY 71 N 4.81 1.65 0.11 0.00 0.00 -1.26 -2.20 105.19 108.29 2c3s n GLY 71 Ca -0.06 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2c3s n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c3s n ASN 72 N 10.31 0.80 -4.69 1.61 3.02 -1.26 -4.98 115.26 120.07 2c3s n ASN 72 Ca 0.00 -0.90 -0.37 0.00 -0.03 0.00 0.00 54.58 53.28 2c3s n ASN 72 Cb 0.00 0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 39.83 2c3s n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2c3s s VAL 73 N -1.59 5.25 0.10 2.41 1.01 -0.94 -5.07 120.40 121.58 2c3s s VAL 73 Ca 0.06 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 2c3s s VAL 73 Cb 0.07 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 2c3s s VAL 73 CO 0.31 0.31 0.85 -1.10 0.00 0.00 0.00 175.10 175.47 2c3s s GLN 74 N 0.98 4.61 0.09 2.72 -0.21 -1.26 -0.33 119.66 126.25 2c3s s GLN 74 Ca 0.17 1.24 0.02 0.00 0.02 0.00 0.00 55.36 56.82 2c3s s GLN 74 Cb -0.14 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2c3s s GLN 74 CO 0.06 0.33 0.15 -0.51 -2.12 0.00 0.00 175.29 173.20 2c3s s LEU 75 N -0.32 4.03 -0.33 2.90 1.43 0.79 -4.93 118.68 122.25 2c3s s LEU 75 Ca 0.41 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 2c3s s LEU 75 Cb -0.22 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 2c3s s LEU 75 CO 0.27 0.15 0.32 0.00 0.23 0.00 0.00 176.35 177.32 2c3s s ARG 76 N -2.58 3.64 -0.21 1.70 1.04 -1.26 -4.32 118.95 116.95 2c3s s ARG 76 Ca 0.32 -0.40 -0.27 0.00 -1.04 0.00 0.00 55.73 54.33 2c3s s ARG 76 Cb -0.12 -3.78 -0.00 0.00 -2.04 0.00 0.00 34.95 29.01 2c3s s ARG 76 CO 0.25 -0.45 0.94 0.54 -0.04 0.00 0.00 175.30 176.54 2c3s s VAL 77 N 1.94 4.77 -0.36 4.99 0.11 -1.26 -1.11 120.40 129.47 2c3s s VAL 77 Ca 0.10 1.84 0.15 0.00 -2.93 0.00 0.00 61.98 61.15 2c3s s VAL 77 Cb -0.17 -4.23 0.51 0.00 -1.53 0.00 0.00 36.38 30.96 2c3s s VAL 77 CO 0.11 -0.10 1.41 2.30 -3.33 0.00 0.00 175.10 175.50 2c3s n ILE 78 N 5.13 2.04 0.00 7.04 -5.35 0.15 -4.67 119.36 123.70 2c3s n ILE 78 Ca 0.09 -1.66 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 2c3s n ILE 78 Cb 0.47 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 2c3s n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2c3s n GLY 79 N -0.19 1.94 3.04 3.28 0.00 -1.17 -4.93 105.19 107.17 2c3s n GLY 79 Ca 0.20 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2c3s n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2c3s s HIS 80 N -1.95 -0.22 0.13 1.61 -3.43 -1.26 -0.49 115.29 109.68 2c3s s HIS 80 Ca 0.00 0.54 -0.11 0.00 -0.80 0.00 0.00 55.06 54.68 2c3s s HIS 80 Cb 0.00 0.04 0.01 0.00 -1.43 0.00 0.00 32.58 31.20 2c3s s HIS 80 CO 0.00 -0.13 0.30 -1.54 -2.00 0.00 0.00 174.74 171.36 2c3s s SER 81 N 0.47 -0.02 -0.13 7.38 1.04 -0.57 -5.01 113.70 116.87 2c3s s SER 81 Ca -0.03 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 2c3s s SER 81 Cb -0.05 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2c3s s SER 81 CO -0.02 -0.83 0.01 -0.32 0.98 0.00 0.00 173.24 173.05 2c3s s MET 82 N -3.88 3.42 -0.40 4.02 1.75 -1.26 -0.21 119.30 122.74 2c3s s MET 82 Ca 0.08 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 2c3s s MET 82 Cb 0.03 -2.93 0.12 0.00 2.84 0.00 0.00 34.83 34.89 2c3s s MET 82 CO -0.07 0.48 0.17 -1.14 -0.65 0.00 0.00 175.02 173.81 2c3s s GLN 83 N -0.24 1.23 6.53 4.11 0.74 -0.03 -4.95 119.66 127.05 2c3s s GLN 83 Ca 0.06 -1.80 0.00 0.00 0.05 0.00 0.00 55.36 53.67 2c3s s GLN 83 Cb -0.12 -2.48 0.00 0.00 1.10 0.00 0.00 33.01 31.51 2c3s s GLN 83 CO 0.02 -1.07 0.00 0.09 -0.55 0.00 0.00 175.29 173.77 2c3s n ASN 84 N 3.96 0.00 -0.81 6.67 3.02 -1.26 -0.84 115.26 125.99 2c3s n ASN 84 Ca 0.05 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 2c3s n ASN 84 Cb 0.37 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.73 2c3s n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3s s LEU 86 N -1.07 3.41 -0.21 0.00 1.43 -0.02 -1.65 118.68 120.57 2c3s s LEU 86 Ca 0.27 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 2c3s s LEU 86 Cb 0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2c3s s LEU 86 CO 0.17 0.14 0.10 -0.22 0.23 0.00 0.00 176.35 176.77 2c3s s LEU 87 N -2.57 3.87 -0.37 1.79 2.96 0.54 -0.86 118.68 124.04 2c3s s LEU 87 Ca 0.26 0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 2c3s s LEU 87 Cb -0.11 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.60 2c3s s LEU 87 CO 0.18 0.10 0.19 -0.60 -1.32 0.00 0.00 176.35 174.91 2c3s s ARG 88 N 0.82 2.78 -0.30 1.98 3.52 0.70 -2.39 118.95 126.07 2c3s s ARG 88 Ca 0.05 -1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 54.45 2c3s s ARG 88 Cb -0.13 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 2c3s s ARG 88 CO 0.02 -0.70 0.15 -0.51 -0.81 0.00 0.00 175.30 173.45 2c3s s LEU 89 N 1.53 3.99 -0.05 -0.88 1.43 -0.01 -1.51 118.68 123.18 2c3s s LEU 89 Ca 0.01 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 2c3s s LEU 89 Cb -0.19 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2c3s s LEU 89 CO 0.06 -0.14 0.88 -0.75 0.23 0.00 0.00 176.35 176.63 2c3s s LYS 90 N 1.65 4.48 0.27 1.70 2.47 0.35 -0.43 119.74 130.22 2c3s s LYS 90 Ca 0.05 1.20 0.10 0.00 -1.56 0.00 0.00 55.97 55.77 2c3s s LYS 90 Cb -0.16 -3.48 -0.05 0.00 -1.46 0.00 0.00 37.83 32.68 2c3s s LYS 90 CO 0.07 -0.07 -0.09 0.14 0.16 0.00 0.00 175.35 175.56 2c3s s VAL 91 N 1.18 3.05 -1.52 4.02 -7.23 -0.37 0.30 120.40 119.83 2c3s s VAL 91 Ca 0.45 -2.09 0.30 0.00 -1.81 0.00 0.00 61.98 58.83 2c3s s VAL 91 Cb -0.19 -2.61 0.57 0.00 0.56 0.00 0.00 36.38 34.70 2c3s s VAL 91 CO 0.22 -0.37 2.06 -0.90 -0.31 0.00 0.00 175.10 175.80 2c3s n ASP 92 N -0.73 0.05 -4.14 4.85 5.75 -0.27 -4.77 116.55 117.29 2c3s n ASP 92 Ca -0.06 -0.29 -0.27 0.00 -0.01 0.00 0.00 54.79 54.16 2c3s n ASP 92 Cb 0.59 -0.23 -0.16 0.00 -1.03 0.00 0.00 41.12 40.29 2c3s n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2c3s s THR 93 N -2.49 1.51 0.02 2.12 2.01 -1.26 -5.05 115.64 112.51 2c3s s THR 93 Ca 0.31 -0.74 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 2c3s s THR 93 Cb 0.20 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 2c3s s THR 93 CO 0.45 0.43 0.68 -0.55 -0.69 0.00 0.00 174.62 174.94 2c3s s SER 94 N 0.18 7.09 -0.22 3.53 0.15 -1.26 -4.43 113.70 118.74 2c3s s SER 94 Ca -0.08 1.30 -0.29 0.00 0.70 0.00 0.00 55.95 57.59 2c3s s SER 94 Cb -0.13 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2c3s s SER 94 CO 0.03 0.07 1.83 0.21 1.20 0.00 0.00 173.24 176.58 2c3s s ASN 95 N -0.17 6.08 0.18 5.45 2.47 0.15 -4.86 114.94 124.24 2c3s s ASN 95 Ca 0.34 1.73 0.19 0.00 0.42 0.00 0.00 52.86 55.54 2c3s s ASN 95 Cb -0.19 -2.53 0.84 0.00 -1.45 0.00 0.00 41.25 37.92 2c3s s ASN 95 CO 0.20 -1.49 1.58 -0.81 -3.72 0.00 0.00 177.10 172.87 2c3s n PRO 96 N 8.06 0.12 -0.43 0.43 -0.04 -1.26 -2.17 135.00 139.71 2c3s n PRO 96 Ca 0.22 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.19 2c3s n PRO 96 Cb 0.45 -1.76 0.29 0.00 -0.04 0.00 0.00 33.50 32.43 2c3s n PRO 96 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2c3s n LYS 97 N -2.00 3.22 -1.67 0.54 5.02 -1.26 -4.98 118.16 117.02 2c3s n LYS 97 Ca 0.02 -2.62 -0.44 0.00 -2.02 0.00 0.00 58.31 53.25 2c3s n LYS 97 Cb 0.16 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 2c3s n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2c3s n THR 98 N 0.89 0.60 -2.36 -0.18 -1.04 -0.92 -4.82 114.28 106.44 2c3s n THR 98 Ca 0.21 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.05 61.86 2c3s n THR 98 Cb 0.72 -2.15 0.13 0.00 -1.82 0.00 0.00 70.33 67.21 2c3s n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2c3s s PRO 99 N 3.79 1.34 0.19 -2.82 0.04 -1.26 -5.02 135.00 131.25 2c3s s PRO 99 Ca 0.88 -0.86 -0.30 0.00 0.04 0.00 0.00 61.00 60.76 2c3s s PRO 99 Cb -0.51 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 2c3s s PRO 99 CO 0.43 -1.77 1.16 0.21 0.04 0.00 0.00 177.00 177.07 2c3s s LYS 100 N -5.40 4.53 0.23 4.56 2.20 -1.26 -4.97 119.74 119.62 2c3s s LYS 100 Ca 0.69 1.83 -0.16 0.00 -0.36 0.00 0.00 55.97 57.96 2c3s s LYS 100 Cb -0.05 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2c3s s LYS 100 CO 0.47 -0.03 0.53 1.52 -0.36 0.00 0.00 175.35 177.49 2c3s s TYR 101 N -0.17 0.06 0.05 4.03 -0.85 -1.26 -1.44 117.35 117.76 2c3s s TYR 101 Ca 0.51 -0.43 -0.06 0.00 -0.52 0.00 0.00 57.07 56.58 2c3s s TYR 101 Cb -0.32 0.36 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 2c3s s TYR 101 CO 0.37 -0.99 0.10 0.15 -1.52 0.00 0.00 175.55 173.66 2c3s s LYS 102 N -3.93 0.67 -0.21 -3.49 1.02 -0.10 -4.90 119.74 108.80 2c3s s LYS 102 Ca 0.14 -0.89 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 2c3s s LYS 102 Cb -0.02 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 2c3s s LYS 102 CO 0.03 -0.17 0.02 -0.06 -0.92 0.00 0.00 175.35 174.24 2c3s s PHE 103 N -3.19 3.07 0.02 3.18 2.99 -1.26 -0.94 117.98 121.85 2c3s s PHE 103 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 56.93 56.58 2c3s s PHE 103 Cb 0.02 -2.11 -0.02 0.00 0.00 0.00 0.00 43.02 40.92 2c3s s PHE 103 CO -0.07 -0.21 -0.13 0.14 -0.00 0.00 0.00 175.22 174.95 2c3s s VAL 104 N 1.02 0.98 -0.30 -0.44 -7.23 0.08 -4.94 120.40 109.58 2c3s s VAL 104 Ca 0.02 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.29 2c3s s VAL 104 Cb -0.14 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 2c3s s VAL 104 CO 0.02 0.07 0.15 -0.60 -0.31 0.00 0.00 175.10 174.43 2c3s s ARG 105 N -0.84 3.50 0.65 4.82 3.52 -1.26 -4.01 118.95 125.33 2c3s s ARG 105 Ca 0.02 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 54.94 2c3s s ARG 105 Cb -0.07 -3.55 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2c3s s ARG 105 CO 0.01 -0.34 0.98 0.96 -0.81 0.00 0.00 175.30 176.09 2c3s s ILE 106 N 1.64 3.22 0.23 4.11 -4.36 -1.26 -5.09 121.20 119.69 2c3s s ILE 106 Ca 0.05 0.02 0.05 0.00 -0.26 0.00 0.00 60.65 60.52 2c3s s ILE 106 Cb -0.17 -3.33 -0.03 0.00 1.25 0.00 0.00 42.46 40.19 2c3s s ILE 106 CO 0.07 -0.36 0.33 -1.10 0.24 0.00 0.00 174.94 174.11 2c3s s GLN 107 N -5.14 3.36 0.37 0.37 -0.21 -1.26 -5.03 119.66 112.11 2c3s s GLN 107 Ca 0.56 -0.79 -0.27 0.00 0.02 0.00 0.00 55.36 54.88 2c3s s GLN 107 Cb -0.11 -2.85 -0.11 0.00 1.00 0.00 0.00 33.01 30.94 2c3s s GLN 107 CO 0.46 0.43 1.32 -2.30 -2.12 0.00 0.00 175.29 173.09 2c3s n PRO 108 N -1.29 2.16 0.00 2.91 -0.02 -1.26 -1.88 135.00 135.62 2c3s n PRO 108 Ca -0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2c3s n PRO 108 Cb 0.57 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2c3s n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3s n GLY 109 N 0.73 3.23 3.82 -1.23 0.00 0.23 -4.93 105.19 107.03 2c3s n GLY 109 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2c3s n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3s s GLN 110 N -0.68 3.52 0.33 1.61 -0.21 -0.79 -4.67 119.66 118.77 2c3s s GLN 110 Ca 0.00 1.12 0.08 0.00 0.02 0.00 0.00 55.36 56.58 2c3s s GLN 110 Cb 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 2c3s s GLN 110 CO 0.00 -0.64 0.20 0.95 -2.12 0.00 0.00 175.29 173.68 2c3s s THR 111 N -2.52 3.34 0.04 -0.19 -4.23 -1.26 -1.04 115.64 109.78 2c3s s THR 111 Ca 0.62 -1.55 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 2c3s s THR 111 Cb -0.14 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.70 2c3s s THR 111 CO 0.35 -0.20 0.92 0.72 -0.54 0.00 0.00 174.62 175.88 2c3s s PHE 112 N -2.35 -0.27 0.03 3.99 -0.12 -0.16 -4.93 117.98 114.17 2c3s s PHE 112 Ca 0.39 0.09 -0.05 0.00 -0.05 0.00 0.00 56.93 57.31 2c3s s PHE 112 Cb -0.04 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 2c3s s PHE 112 CO 0.24 -0.62 0.26 -1.12 -0.05 0.00 0.00 175.22 173.93 2c3s s SER 113 N -2.63 6.45 -0.12 1.98 0.01 -0.12 -0.56 113.70 118.71 2c3s s SER 113 Ca 0.07 0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.85 2c3s s SER 113 Cb -0.01 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.17 2c3s s SER 113 CO -0.06 0.21 -0.22 -0.69 0.41 0.00 0.00 173.24 172.89 2c3s s VAL 114 N -1.39 1.99 -0.72 3.43 1.01 0.18 0.16 120.40 125.06 2c3s s VAL 114 Ca 0.31 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2c3s s VAL 114 Cb -0.13 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 34.65 2c3s s VAL 114 CO 0.20 0.54 0.79 -0.22 0.00 0.00 0.00 175.10 176.41 2c3s s LEU 115 N 0.58 5.73 -0.00 3.92 2.96 -0.93 -0.86 118.68 130.08 2c3s s LEU 115 Ca -0.13 -1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 51.57 2c3s s LEU 115 Cb -0.17 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 2c3s s LEU 115 CO 0.04 -0.95 1.34 0.00 -1.32 0.00 0.00 176.35 175.45 2c3s s ALA 116 N 1.96 3.55 0.14 5.97 0.00 -0.15 -4.10 121.76 129.13 2c3s s ALA 116 Ca 0.17 0.83 0.07 0.00 0.00 0.00 0.00 51.96 53.03 2c3s s ALA 116 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2c3s s ALA 116 CO -0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 175.76 174.77 2c3s s TYR 118 N -2.21 0.61 -1.47 0.00 1.51 -0.95 -4.15 117.35 110.70 2c3s s TYR 118 Ca 0.12 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 56.02 2c3s s TYR 118 Cb -0.05 -0.67 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2c3s s TYR 118 CO 0.04 -0.24 0.28 0.09 -1.11 0.00 0.00 175.55 174.61 2c3s n ASN 119 N 4.61 -5.19 0.00 2.29 4.13 -1.25 -2.49 115.26 117.36 2c3s n ASN 119 Ca -0.16 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 55.98 2c3s n ASN 119 Cb 0.50 -4.28 0.00 0.00 -1.54 0.00 0.00 39.78 34.46 2c3s n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c3s n GLY 120 N -1.16 0.79 3.22 7.41 0.00 -1.26 -4.67 105.19 109.51 2c3s n GLY 120 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2c3s n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c3s s SER 121 N -2.94 2.67 0.24 1.61 1.04 -1.04 -4.20 113.70 111.08 2c3s s SER 121 Ca 0.00 -0.44 -0.31 0.00 0.48 0.00 0.00 55.95 55.68 2c3s s SER 121 Cb 0.00 -0.65 -0.13 0.00 0.10 0.00 0.00 66.02 65.34 2c3s s SER 121 CO 0.00 0.22 1.54 -2.65 0.98 0.00 0.00 173.24 173.33 2c3s n PRO 122 N 2.94 2.39 -0.08 4.02 -0.02 -1.26 -2.24 135.00 140.74 2c3s n PRO 122 Ca -0.17 0.85 -0.17 0.00 -2.02 0.00 0.00 63.50 61.99 2c3s n PRO 122 Cb 0.52 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 2c3s n PRO 122 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2c3s n SER 123 N 2.57 1.38 -3.64 2.55 7.64 0.57 -4.92 113.62 119.77 2c3s n SER 123 Ca 0.12 0.17 -0.04 0.00 1.01 0.00 0.00 58.87 60.12 2c3s n SER 123 Cb 0.33 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2c3s n SER 123 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2c3s s GLY 124 N -5.33 -0.11 -0.07 0.23 0.00 -1.11 -5.02 107.32 95.90 2c3s s GLY 124 Ca -0.23 -0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.48 2c3s s GLY 124 CO 0.30 0.40 -0.24 0.14 0.00 0.00 0.00 173.10 173.69 2c3s s VAL 125 N -3.08 2.03 0.08 1.40 1.01 -1.26 -0.98 120.40 119.60 2c3s s VAL 125 Ca 0.14 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2c3s s VAL 125 Cb -0.02 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2c3s s VAL 125 CO 0.04 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.19 2c3s s TYR 126 N -0.01 1.70 -0.16 5.22 1.51 -0.04 -4.95 117.35 120.62 2c3s s TYR 126 Ca -0.08 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.52 2c3s s TYR 126 Cb -0.15 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 2c3s s TYR 126 CO 0.05 0.14 0.04 -1.14 -1.11 0.00 0.00 175.55 173.54 2c3s s GLN 127 N -1.61 3.74 0.26 -0.62 2.00 -1.26 0.50 119.66 122.67 2c3s s GLN 127 Ca 0.06 -0.37 -0.02 0.00 -2.00 0.00 0.00 55.36 53.03 2c3s s GLN 127 Cb -0.09 -3.09 0.01 0.00 0.80 0.00 0.00 33.01 30.63 2c3s s GLN 127 CO 0.03 0.37 0.37 0.00 -0.50 0.00 0.00 175.29 175.56 2c3s s ALA 129 N -2.41 0.98 -0.34 0.00 0.00 -1.26 -0.99 121.76 117.73 2c3s s ALA 129 Ca 0.21 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.83 2c3s s ALA 129 Cb -0.01 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2c3s s ALA 129 CO 0.15 -0.01 1.02 1.41 0.00 0.00 0.00 175.76 178.33 2c3s s MET 130 N -2.37 3.98 0.81 0.00 1.75 -0.21 -4.56 119.30 118.70 2c3s s MET 130 Ca 0.01 0.89 -0.12 0.00 -1.25 0.00 0.00 55.69 55.21 2c3s s MET 130 Cb -0.05 -3.76 0.08 0.00 2.84 0.00 0.00 34.83 33.93 2c3s s MET 130 CO 0.00 -0.93 1.14 1.03 -0.65 0.00 0.00 175.02 175.61 2c3s s ARG 131 N 3.62 1.81 0.54 4.11 1.81 -0.32 0.74 118.95 131.26 2c3s s ARG 131 Ca 0.43 1.47 0.19 0.00 -1.72 0.00 0.00 55.73 56.10 2c3s s ARG 131 Cb -0.12 -1.82 1.40 0.00 -0.45 0.00 0.00 34.95 33.95 2c3s s ARG 131 CO 0.17 -2.03 2.17 -1.35 -0.68 0.00 0.00 175.30 173.59 2c3s h PRO 132 N -1.11 0.00 -0.79 3.54 0.11 -1.89 -0.81 132.00 131.05 2c3s h PRO 132 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2c3s h PRO 132 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2c3s h PRO 132 CO 0.47 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 2c3s n ASN 133 N -4.38 2.86 -1.05 -2.05 6.94 -1.26 -4.90 115.26 111.41 2c3s n ASN 133 Ca -0.03 -2.36 -0.13 0.00 -0.02 0.00 0.00 54.58 52.04 2c3s n ASN 133 Cb 0.09 -0.55 -0.05 0.00 -2.36 0.00 0.00 39.78 36.91 2c3s n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2c3s n HIS 134 N 0.27 -0.05 -4.09 -2.53 8.25 -0.31 -4.55 115.22 112.21 2c3s n HIS 134 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 2c3s n HIS 134 Cb 0.61 -2.43 -0.04 0.00 1.12 0.00 0.00 29.99 29.25 2c3s n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2c3s s THR 135 N -2.50 1.91 -0.03 1.59 -4.23 -1.26 -4.56 115.64 106.56 2c3s s THR 135 Ca 0.00 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 58.93 2c3s s THR 135 Cb 0.00 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2c3s s THR 135 CO 0.00 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.27 2c3s s ILE 136 N -2.70 1.51 0.01 2.99 -1.09 -0.14 -1.17 121.20 120.61 2c3s s ILE 136 Ca 0.34 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 2c3s s ILE 136 Cb 0.01 -1.28 -0.05 0.00 -1.58 0.00 0.00 42.46 39.55 2c3s s ILE 136 CO 0.19 0.43 0.36 -0.54 -1.23 0.00 0.00 174.94 174.16 2c3s s LYS 137 N -0.14 3.79 0.00 2.79 1.02 -1.26 -1.76 119.74 124.18 2c3s s LYS 137 Ca -0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2c3s s LYS 137 Cb -0.10 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2c3s s LYS 137 CO 0.01 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 2c3s n GLY 138 N 1.56 -0.24 2.88 -3.33 0.00 -1.26 -4.95 105.19 99.85 2c3s n GLY 138 Ca -0.13 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2c3s n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3s s SER 139 N -4.00 0.48 -0.10 1.61 0.01 -1.26 -4.95 113.70 105.49 2c3s s SER 139 Ca 0.00 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.36 2c3s s SER 139 Cb 0.00 0.97 -0.03 0.00 0.21 0.00 0.00 66.02 67.18 2c3s s SER 139 CO 0.00 -0.31 -0.07 -0.36 0.41 0.00 0.00 173.24 172.91 2c3s s PHE 140 N 2.50 2.95 0.50 2.43 0.40 -1.26 -5.13 117.98 120.37 2c3s s PHE 140 Ca 0.12 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 2c3s s PHE 140 Cb -0.15 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.61 2c3s s PHE 140 CO -0.16 0.17 0.70 -0.51 0.70 0.00 0.00 175.22 176.13 2c3s s LEU 141 N -0.37 3.44 -0.03 -0.37 1.43 -1.26 -4.97 118.68 116.55 2c3s s LEU 141 Ca 0.05 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2c3s s LEU 141 Cb -0.12 -2.86 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 2c3s s LEU 141 CO 0.02 -0.97 2.03 0.59 0.23 0.00 0.00 176.35 178.26 2c3s n ASN 142 N -2.17 3.93 0.00 2.29 3.02 -1.26 -0.91 115.26 120.17 2c3s n ASN 142 Ca 0.07 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 2c3s n ASN 142 Cb 0.59 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 2c3s n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c3s n GLY 143 N 4.85 0.63 0.11 7.41 0.00 -1.26 -4.94 105.19 111.99 2c3s n GLY 143 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2c3s n GLY 143 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c3s h SER 144 N 0.00 0.00 -3.35 1.61 4.64 -1.18 -3.34 113.55 111.93 2c3s h SER 144 Ca 0.00 -0.04 -0.57 0.00 -0.47 0.00 0.00 61.79 60.70 2c3s h SER 144 Cb 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.23 2c3s h SER 144 CO 0.00 0.02 0.26 0.00 -0.87 0.00 0.00 176.83 176.24 2c3s n GLY 146 N 1.10 2.98 3.75 0.00 0.00 0.11 -1.44 105.19 111.68 2c3s n GLY 146 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2c3s n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3s s SER 147 N -1.17 5.29 0.23 1.61 0.01 -0.88 -4.49 113.70 114.31 2c3s s SER 147 Ca 0.00 2.48 0.10 0.00 1.31 0.00 0.00 55.95 59.84 2c3s s SER 147 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2c3s s SER 147 CO 0.00 -1.53 -0.07 0.68 0.41 0.00 0.00 173.24 172.73 2c3s s VAL 148 N -1.50 3.21 0.03 3.43 -7.23 -1.26 -0.70 120.40 116.38 2c3s s VAL 148 Ca 0.75 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 2c3s s VAL 148 Cb -0.33 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2c3s s VAL 148 CO 0.37 -0.27 -0.00 -0.83 -0.31 0.00 0.00 175.10 174.06 2c3s s GLY 149 N -3.30 1.89 0.25 2.32 0.00 0.12 -2.20 107.32 106.39 2c3s s GLY 149 Ca 0.28 -1.01 -0.19 0.00 0.00 0.00 0.00 44.72 43.80 2c3s s GLY 149 CO 0.17 -0.92 0.65 -0.11 0.00 0.00 0.00 173.10 172.89 2c3s s PHE 150 N -1.17 -0.13 0.05 1.90 -0.12 0.12 -1.56 117.98 117.07 2c3s s PHE 150 Ca 0.22 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.85 2c3s s PHE 150 Cb -0.12 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 2c3s s PHE 150 CO 0.13 -1.12 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.29 2c3s s ASN 151 N -2.91 0.99 -0.08 1.98 0.01 -0.49 -0.94 114.94 113.49 2c3s s ASN 151 Ca 0.12 -0.57 0.04 0.00 -0.71 0.00 0.00 52.86 51.73 2c3s s ASN 151 Cb -0.04 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 2c3s s ASN 151 CO 0.04 -0.19 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.62 2c3s s ILE 152 N -1.42 2.60 -0.64 0.60 1.01 -1.26 -0.16 121.20 121.93 2c3s s ILE 152 Ca -0.08 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.75 2c3s s ILE 152 Cb -0.10 -2.01 0.16 0.00 0.01 0.00 0.00 42.46 40.52 2c3s s ILE 152 CO 0.01 0.56 0.44 -1.81 0.00 0.00 0.00 174.94 174.13 2c3s s ASP 153 N -0.14 4.30 0.00 3.58 1.01 -0.20 -4.98 116.67 120.24 2c3s s ASP 153 Ca -0.03 -3.61 0.00 0.00 0.71 0.00 0.00 52.55 49.63 2c3s s ASP 153 Cb -0.14 -1.46 0.00 0.00 1.01 0.00 0.00 42.92 42.33 2c3s s ASP 153 CO 0.04 -0.12 0.00 0.00 0.21 0.00 0.00 175.17 175.30 2c3s n TYR 154 N 2.28 0.00 -0.29 4.23 4.11 -1.26 -2.66 117.16 123.57 2c3s n TYR 154 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 2c3s n TYR 154 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.70 2c3s n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2c3s n ASP 155 N 5.23 0.81 -4.58 9.48 5.75 -1.26 -5.03 116.55 126.95 2c3s n ASP 155 Ca 0.00 -1.10 -0.34 0.00 -0.01 0.00 0.00 54.79 53.34 2c3s n ASP 155 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 2c3s n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c3s s VAL 157 N 0.47 5.09 -0.46 0.00 1.01 -0.52 -1.03 120.40 124.96 2c3s s VAL 157 Ca 0.01 0.91 -0.13 0.00 0.00 0.00 0.00 61.98 62.77 2c3s s VAL 157 Cb -0.13 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.49 2c3s s VAL 157 CO 0.01 0.13 0.36 -0.44 0.00 0.00 0.00 175.10 175.17 2c3s s SER 158 N 1.34 5.98 0.07 3.32 0.01 0.77 -0.92 113.70 124.27 2c3s s SER 158 Ca 0.23 -1.42 -0.30 0.00 1.31 0.00 0.00 55.95 55.76 2c3s s SER 158 Cb -0.15 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2c3s s SER 158 CO 0.09 -0.63 0.97 -0.36 0.41 0.00 0.00 173.24 173.73 2c3s s PHE 159 N 1.57 3.74 0.00 2.43 0.08 -0.12 -1.40 117.98 124.28 2c3s s PHE 159 Ca 0.04 1.75 0.00 0.00 0.12 0.00 0.00 56.93 58.84 2c3s s PHE 159 Cb -0.24 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 2c3s s PHE 159 CO 0.05 0.09 0.10 0.00 -0.10 0.00 0.00 175.22 175.36 2c3s s TYR 161 N -0.31 -0.52 -0.03 0.00 5.04 -1.12 -4.38 117.35 116.03 2c3s s TYR 161 Ca 0.00 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 55.58 2c3s s TYR 161 Cb 0.00 0.29 0.03 0.00 0.35 0.00 0.00 41.96 42.63 2c3s s TYR 161 CO 0.00 -0.50 0.03 1.41 -1.34 0.00 0.00 175.55 175.15 2c3s s MET 162 N -0.99 0.08 0.15 4.97 -2.45 -0.19 0.10 119.30 120.98 2c3s s MET 162 Ca -0.10 0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 54.25 2c3s s MET 162 Cb -0.02 -0.44 -0.07 0.00 1.25 0.00 0.00 34.83 35.54 2c3s s MET 162 CO 0.07 -0.22 1.17 -1.58 1.05 0.00 0.00 175.02 175.51 2c3s s HIS 163 N 1.46 3.47 -0.04 4.11 2.46 0.12 -1.99 115.29 124.88 2c3s s HIS 163 Ca -0.04 1.43 -0.01 0.00 0.47 0.00 0.00 55.06 56.91 2c3s s HIS 163 Cb -0.13 -3.39 -0.02 0.00 -0.13 0.00 0.00 32.58 28.91 2c3s s HIS 163 CO -0.03 -1.08 -0.04 0.72 -2.47 0.00 0.00 174.74 171.84 2c3s n HIS 164 N 2.84 0.00 -3.68 3.88 8.25 -0.93 0.03 115.22 125.61 2c3s n HIS 164 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 2c3s n HIS 164 Cb 0.45 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 2c3s n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2c3s s MET 165 N -2.07 1.08 -0.22 -0.41 0.23 -0.70 -4.85 119.30 112.37 2c3s s MET 165 Ca -0.05 -0.77 -0.07 0.00 -1.03 0.00 0.00 55.69 53.76 2c3s s MET 165 Cb 0.02 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 2c3s s MET 165 CO 0.07 -0.42 0.06 -2.00 -2.03 0.00 0.00 175.02 170.70 2c3s s GLU 166 N -3.83 3.78 0.50 3.16 2.12 -1.26 -1.07 118.70 122.10 2c3s s GLU 166 Ca 0.04 -0.43 -0.19 0.00 0.36 0.00 0.00 54.97 54.76 2c3s s GLU 166 Cb 0.02 -3.25 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 2c3s s GLU 166 CO -0.10 0.02 1.00 -0.51 -0.54 0.00 0.00 175.26 175.13 2c3s s LEU 167 N 1.06 3.75 0.53 2.70 1.43 0.63 -4.87 118.68 123.90 2c3s s LEU 167 Ca 0.04 1.75 0.43 0.00 -1.03 0.00 0.00 54.13 55.32 2c3s s LEU 167 Cb -0.14 -4.54 1.63 0.00 0.03 0.00 0.00 46.19 43.17 2c3s s LEU 167 CO 0.03 -0.69 1.63 -0.65 0.23 0.00 0.00 176.35 176.90 2c3s h PRO 168 N 1.28 0.02 0.00 1.29 0.11 -1.88 1.31 132.00 134.13 2c3s h PRO 168 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2c3s h PRO 168 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c3s h PRO 168 CO 0.60 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 2c3s n THR 169 N -4.17 0.33 -0.12 -1.15 -2.24 -1.26 -4.89 114.28 100.79 2c3s n THR 169 Ca 0.39 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 2c3s n THR 169 Cb 1.73 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2c3s n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3s n GLY 170 N 0.95 0.55 3.90 3.38 0.00 0.45 -5.07 105.19 109.34 2c3s n GLY 170 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2c3s n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c3s s VAL 171 N -2.27 4.05 0.02 1.61 -7.23 -1.24 -4.76 120.40 110.57 2c3s s VAL 171 Ca 0.00 0.31 0.04 0.00 -1.81 0.00 0.00 61.98 60.51 2c3s s VAL 171 Cb 0.00 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 2c3s s VAL 171 CO 0.00 -0.70 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.03 2c3s s HIS 172 N -3.06 2.89 0.08 2.82 0.09 -0.72 -0.27 115.29 117.12 2c3s s HIS 172 Ca 0.54 -0.04 0.07 0.00 -0.00 0.00 0.00 55.06 55.62 2c3s s HIS 172 Cb -0.11 -1.59 -0.03 0.00 -0.00 0.00 0.00 32.58 30.85 2c3s s HIS 172 CO 0.48 0.39 -0.18 0.00 -0.00 0.00 0.00 174.74 175.43 2c3s s ALA 173 N -1.04 1.50 0.00 -1.40 0.00 -0.23 -0.96 121.76 119.62 2c3s s ALA 173 Ca 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2c3s s ALA 173 Cb -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2c3s s ALA 173 CO 0.09 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2c3s n GLY 174 N 1.33 1.91 3.57 0.00 0.00 -1.26 -1.71 105.19 109.03 2c3s n GLY 174 Ca -0.20 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 2c3s n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3s s THR 175 N -2.92 1.03 0.38 2.61 -4.23 -0.84 -1.68 115.64 109.99 2c3s s THR 175 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2c3s s THR 175 Cb 0.00 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.45 2c3s s THR 175 CO 0.00 0.00 0.52 -0.90 -0.54 0.00 0.00 174.62 173.70 2c3s n ASP 176 N -1.11 0.40 -0.14 3.99 5.68 -0.64 -1.02 116.55 123.71 2c3s n ASP 176 Ca -0.08 -1.41 0.05 0.00 -0.50 0.00 0.00 54.79 52.85 2c3s n ASP 176 Cb 0.66 -0.36 0.26 0.00 -1.14 0.00 0.00 41.12 40.54 2c3s n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c3s n LEU 177 N 0.00 0.42 -1.02 -2.12 7.99 -1.26 -1.91 117.00 119.11 2c3s n LEU 177 Ca 0.08 -0.19 0.11 0.00 -0.01 0.00 0.00 56.01 55.99 2c3s n LEU 177 Cb 0.27 -0.04 0.16 0.00 -0.11 0.00 0.00 43.42 43.70 2c3s n LEU 177 CO 0.19 0.10 0.65 -0.62 -1.51 0.00 0.00 177.39 176.20 2c3s n GLU 178 N -0.39 2.31 -1.04 3.23 1.02 -1.26 -4.95 120.64 119.56 2c3s n GLU 178 Ca 0.08 -2.08 -0.01 0.00 -0.02 0.00 0.00 57.16 55.13 2c3s n GLU 178 Cb 0.10 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 2c3s n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c3s n GLY 179 N 1.34 0.49 3.59 0.62 0.00 -0.80 -4.51 105.19 105.92 2c3s n GLY 179 Ca 0.16 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2c3s n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3s s LYS 180 N -2.03 3.93 0.53 1.61 1.02 -1.26 -1.25 119.74 122.29 2c3s s LYS 180 Ca 0.00 -0.27 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 2c3s s LYS 180 Cb 0.00 -3.67 -0.06 0.00 -0.52 0.00 0.00 37.83 33.58 2c3s s LYS 180 CO 0.00 -0.23 1.26 1.19 -0.92 0.00 0.00 175.35 176.66 2c3s n PHE 181 N 5.13 1.99 -3.24 3.18 3.01 -1.26 -1.62 117.46 124.64 2c3s n PHE 181 Ca -0.13 0.45 -0.39 0.00 1.01 0.00 0.00 57.45 58.40 2c3s n PHE 181 Cb 0.52 -2.32 -0.06 0.00 -0.01 0.00 0.00 39.48 37.60 2c3s n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2c3s s TYR 182 N -1.31 3.49 0.00 1.38 1.51 -0.67 -4.88 117.35 116.87 2c3s s TYR 182 Ca 0.70 0.94 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 2c3s s TYR 182 Cb -0.44 -2.63 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2c3s s TYR 182 CO 0.51 0.09 0.00 0.41 -1.11 0.00 0.00 175.55 175.44 2c3s n GLY 183 N 3.38 -2.93 0.16 0.71 0.00 -1.26 -4.45 105.19 100.81 2c3s n GLY 183 Ca -0.05 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.28 2c3s n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c3s n PRO 184 N -0.28 1.21 -1.68 1.61 -0.04 -1.26 -4.96 135.00 129.60 2c3s n PRO 184 Ca 0.00 -0.33 -0.34 0.00 -0.04 0.00 0.00 63.50 62.79 2c3s n PRO 184 Cb 0.00 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.03 2c3s n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2c3s s PHE 185 N -2.02 2.30 0.11 0.54 0.08 -1.26 -5.08 117.98 112.65 2c3s s PHE 185 Ca 0.44 1.57 0.03 0.00 0.12 0.00 0.00 56.93 59.09 2c3s s PHE 185 Cb 0.22 -3.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2c3s s PHE 185 CO 0.36 -2.23 -0.09 0.14 -0.10 0.00 0.00 175.22 173.30 2c3s s VAL 186 N -1.98 0.93 -1.48 -0.44 -7.23 -1.26 -4.80 120.40 104.13 2c3s s VAL 186 Ca 0.73 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.99 2c3s s VAL 186 Cb -0.27 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2c3s s VAL 186 CO 0.41 -0.69 2.54 -0.90 -0.31 0.00 0.00 175.10 176.15 2c3s n ASP 187 N 0.23 7.00 -3.95 4.85 5.75 -1.26 -4.83 116.55 124.33 2c3s n ASP 187 Ca -0.14 -2.82 -0.17 0.00 -0.01 0.00 0.00 54.79 51.66 2c3s n ASP 187 Cb 0.59 -1.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.00 2c3s n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2c3s s ARG 188 N 1.54 0.55 -1.32 0.11 0.52 -1.26 -4.89 118.95 114.18 2c3s s ARG 188 Ca 0.58 -0.18 -0.16 0.00 -0.52 0.00 0.00 55.73 55.44 2c3s s ARG 188 Cb 0.16 -0.54 0.08 0.00 0.52 0.00 0.00 34.95 35.17 2c3s s ARG 188 CO -0.07 0.08 1.82 0.94 0.02 0.00 0.00 175.30 178.10 2c3s n GLN 189 N 3.18 3.17 -1.84 3.54 -0.06 0.28 -4.90 117.38 120.75 2c3s n GLN 189 Ca -0.16 -3.22 0.00 0.00 -2.00 0.00 0.00 57.00 51.62 2c3s n GLN 189 Cb 0.56 -3.35 0.00 0.00 -4.06 0.00 0.00 30.24 23.39 2c3s n GLN 189 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2c3s n THR 190 N 5.65 0.00 0.98 1.69 -2.24 -1.26 -4.57 114.28 114.52 2c3s n THR 190 Ca 0.47 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.34 2c3s n THR 190 Cb 0.43 -0.07 0.48 0.00 -2.10 0.00 0.00 70.33 69.07 2c3s n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3s n ALA 191 N -3.00 2.06 -0.12 6.98 0.00 -1.26 -4.90 120.51 120.27 2c3s n ALA 191 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 2c3s n ALA 191 Cb 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 2c3s n ALA 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2c3s n GLN 192 N -1.09 0.00 -4.21 0.00 6.02 -1.26 -4.97 117.38 111.86 2c3s n GLN 192 Ca 0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.93 2c3s n GLN 192 Cb 0.08 -0.10 -0.15 0.00 1.02 0.00 0.00 30.24 31.10 2c3s n GLN 192 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c3s s ALA 193 N -0.05 0.53 0.32 -1.58 0.00 -1.26 -4.76 121.76 114.95 2c3s s ALA 193 Ca 0.06 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 2c3s s ALA 193 Cb -0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 2c3s s ALA 193 CO 0.05 0.12 0.77 0.00 0.00 0.00 0.00 175.76 176.70 2c3s s ALA 194 N -0.09 3.30 0.79 0.00 0.00 -1.26 -5.04 121.76 119.45 2c3s s ALA 194 Ca 0.02 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 2c3s s ALA 194 Cb -0.03 -2.85 0.07 0.00 0.00 0.00 0.00 23.12 20.31 2c3s s ALA 194 CO -0.00 0.30 1.14 0.20 0.00 0.00 0.00 175.76 177.40 2c3s s GLY 195 N -2.11 1.94 0.19 0.00 0.00 -1.26 -4.88 107.32 101.21 2c3s s GLY 195 Ca 0.53 0.59 -0.33 0.00 0.00 0.00 0.00 44.72 45.51 2c3s s GLY 195 CO 0.18 0.97 1.61 -0.37 0.00 0.00 0.00 173.10 175.49 2c3s n THR 196 N -3.34 0.15 -2.16 0.90 5.66 -1.26 -4.80 114.28 109.43 2c3s n THR 196 Ca 0.11 -0.04 -0.29 0.00 -3.05 0.00 0.00 64.05 60.78 2c3s n THR 196 Cb 0.52 -1.71 0.01 0.00 -1.55 0.00 0.00 70.33 67.60 2c3s n THR 196 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2c3s s ASP 197 N 0.91 6.07 0.28 1.09 3.68 -1.26 -4.76 116.67 122.68 2c3s s ASP 197 Ca 0.76 1.16 0.02 0.00 2.13 0.00 0.00 52.55 56.62 2c3s s ASP 197 Cb -0.61 -2.25 -0.05 0.00 -1.45 0.00 0.00 42.92 38.56 2c3s s ASP 197 CO 0.38 -0.86 0.10 0.42 0.13 0.00 0.00 175.17 175.34 2c3s s THR 198 N -3.05 0.59 0.00 1.71 -4.23 -1.26 -5.03 115.64 104.36 2c3s s THR 198 Ca 0.53 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.87 2c3s s THR 198 Cb -0.11 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 2c3s s THR 198 CO 0.50 0.00 0.49 -0.89 -0.54 0.00 0.00 174.62 174.18 2c3s s THR 199 N -3.67 4.95 -1.05 3.99 2.01 -0.82 -4.57 115.64 116.48 2c3s s THR 199 Ca 0.37 1.02 -0.23 0.00 0.31 0.00 0.00 61.69 63.17 2c3s s THR 199 Cb 0.07 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.80 2c3s s THR 199 CO 0.14 0.51 1.61 -0.63 -0.69 0.00 0.00 174.62 175.56 2c3s s ILE 200 N -0.68 3.85 0.24 1.82 1.01 -1.26 -1.30 121.20 124.88 2c3s s ILE 200 Ca 0.27 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2c3s s ILE 200 Cb -0.17 -4.86 0.24 0.00 0.01 0.00 0.00 42.46 37.67 2c3s s ILE 200 CO 0.15 -1.73 1.66 0.74 0.00 0.00 0.00 174.94 175.77 2c3s h THR 201 N 6.67 0.45 -0.91 2.92 2.02 -1.94 -1.33 112.91 120.78 2c3s h THR 201 Ca 0.22 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.42 2c3s h THR 201 Cb 0.98 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 2c3s h THR 201 CO 1.38 0.03 0.56 0.25 0.37 0.00 0.00 175.52 178.12 2c3s h LEU 202 N 0.17 0.86 -0.38 2.58 5.85 -1.90 -1.00 115.31 121.50 2c3s h LEU 202 Ca 0.39 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.95 2c3s h LEU 202 Cb 0.68 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2c3s h LEU 202 CO -0.57 0.52 -0.69 0.78 -0.34 0.00 0.00 178.44 178.14 2c3s h ASN 203 N 0.98 0.63 -0.80 1.25 2.35 -1.47 -1.93 115.58 116.57 2c3s h ASN 203 Ca 0.42 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2c3s h ASN 203 Cb 0.27 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2c3s h ASN 203 CO -0.21 1.14 0.35 0.58 -1.65 0.00 0.00 177.43 177.64 2c3s h VAL 204 N 0.38 1.26 -0.43 2.81 2.07 -0.68 -0.82 116.25 120.83 2c3s h VAL 204 Ca -0.03 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2c3s h VAL 204 Cb 1.27 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2c3s h VAL 204 CO 0.13 0.32 0.11 -0.07 0.02 0.00 0.00 177.57 178.08 2c3s h LEU 205 N 1.15 0.65 -0.95 2.57 3.38 -1.06 -1.28 115.31 119.77 2c3s h LEU 205 Ca 0.27 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2c3s h LEU 205 Cb 0.18 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2c3s h LEU 205 CO -0.03 0.71 0.62 0.00 0.09 0.00 0.00 178.44 179.83 2c3s h ALA 206 N 0.97 1.28 -0.26 1.53 0.00 -0.94 -1.46 119.26 120.38 2c3s h ALA 206 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2c3s h ALA 206 Cb 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2c3s h ALA 206 CO 0.00 0.47 -0.33 2.35 0.00 0.00 0.00 179.25 181.74 2c3s h TRP 207 N 1.18 0.63 -0.33 0.00 7.01 -0.89 -1.37 115.95 122.18 2c3s h TRP 207 Ca 0.39 -0.16 -0.09 0.00 2.11 0.00 0.00 58.89 61.14 2c3s h TRP 207 Cb 0.05 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 2c3s h TRP 207 CO -0.01 0.81 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.21 2c3s h LEU 208 N 0.47 0.60 -0.58 0.65 3.38 -0.34 0.01 115.31 119.50 2c3s h LEU 208 Ca 0.05 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 2c3s h LEU 208 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2c3s h LEU 208 CO 0.07 0.79 -0.31 1.88 0.09 0.00 0.00 178.44 180.95 2c3s h TYR 209 N 0.55 0.94 -0.35 1.13 -1.99 -0.99 -2.17 116.97 114.09 2c3s h TYR 209 Ca 0.09 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 60.57 2c3s h TYR 209 Cb 0.61 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 2c3s h TYR 209 CO 0.02 1.01 0.21 0.00 -0.00 0.00 0.00 178.16 179.41 2c3s h ALA 210 N 0.97 0.44 -0.81 3.88 0.00 -0.65 0.21 119.26 123.30 2c3s h ALA 210 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2c3s h ALA 210 Cb 0.85 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2c3s h ALA 210 CO 0.07 -0.07 0.53 0.00 0.00 0.00 0.00 179.25 179.79 2c3s h ALA 211 N 1.10 1.57 -0.23 0.00 0.00 -0.82 -1.15 119.26 119.73 2c3s h ALA 211 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2c3s h ALA 211 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2c3s h ALA 211 CO -0.02 0.32 -0.62 0.28 0.00 0.00 0.00 179.25 179.21 2c3s h VAL 212 N 0.93 1.28 -0.91 0.00 2.07 -0.73 -2.48 116.25 116.41 2c3s h VAL 212 Ca 0.34 -1.81 0.13 0.00 0.82 0.00 0.00 66.70 66.18 2c3s h VAL 212 Cb 0.15 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 2c3s h VAL 212 CO -0.11 0.58 0.58 0.40 0.02 0.00 0.00 177.57 179.04 2c3s h ILE 213 N 0.58 0.87 -0.91 4.57 1.08 0.56 -1.25 117.51 123.02 2c3s h ILE 213 Ca -0.01 -0.27 -0.60 0.00 -0.39 0.00 0.00 64.86 63.59 2c3s h ILE 213 Cb 1.23 0.03 -0.27 0.00 -3.07 0.00 0.00 36.82 34.74 2c3s h ILE 213 CO 0.13 0.14 0.78 0.59 -0.69 0.00 0.00 178.15 179.11 2c3s n ASN 214 N -4.57 7.13 -3.16 1.72 3.02 -0.62 -4.96 115.26 113.83 2c3s n ASN 214 Ca 0.17 -3.64 -0.15 0.00 -0.03 0.00 0.00 54.58 50.93 2c3s n ASN 214 Cb 0.42 -0.98 0.01 0.00 -0.61 0.00 0.00 39.78 38.63 2c3s n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c3s n GLY 215 N -0.73 -0.92 2.67 7.41 0.00 -0.47 -4.99 105.19 108.15 2c3s n GLY 215 Ca 0.57 0.69 -0.05 0.00 0.00 0.00 0.00 46.02 47.24 2c3s n GLY 215 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c3s n ASP 216 N 0.42 -1.37 -1.85 1.61 -0.08 -0.94 -4.97 116.55 109.37 2c3s n ASP 216 Ca -0.01 -1.79 -0.21 0.00 -1.51 0.00 0.00 54.79 51.27 2c3s n ASP 216 Cb 0.47 0.75 0.07 0.00 2.34 0.00 0.00 41.12 44.75 2c3s n ASP 216 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2c3s n ARG 217 N 1.59 3.08 0.25 -0.67 1.85 -1.26 -4.10 116.66 117.39 2c3s n ARG 217 Ca 0.02 -3.84 0.09 0.00 -1.00 0.00 0.00 57.85 53.13 2c3s n ARG 217 Cb 0.70 -2.17 0.65 0.00 -1.05 0.00 0.00 32.46 30.59 2c3s n ARG 217 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 2c3s h TRP 218 N 1.91 0.00 0.00 2.89 5.08 -1.97 -2.39 115.95 121.47 2c3s h TRP 218 Ca 0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.33 2c3s h TRP 218 Cb 1.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.55 2c3s h TRP 218 CO 0.96 0.10 0.00 0.27 -1.28 0.00 0.00 178.44 178.49 2c3s h PHE 219 N 0.00 0.00 -3.89 0.12 -5.15 -1.97 -3.45 116.94 102.60 2c3s h PHE 219 Ca -0.00 0.00 -0.52 0.00 -0.20 0.00 0.00 57.97 57.25 2c3s h PHE 219 Cb 0.20 0.00 0.07 0.00 0.22 0.00 0.00 35.95 36.44 2c3s h PHE 219 CO 0.00 0.00 0.63 -0.51 -2.00 0.00 0.00 178.31 176.43 2c3s s LEU 220 N -5.56 4.40 0.00 2.10 1.43 -0.90 -4.77 118.68 115.37 2c3s s LEU 220 Ca 0.05 2.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.84 2c3s s LEU 220 Cb 0.09 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 2c3s s LEU 220 CO 0.56 -0.57 0.05 -0.46 0.23 0.00 0.00 176.35 176.16 2c3s n ASN 221 N 0.70 1.46 -0.92 2.29 0.23 -1.26 -5.05 115.26 112.72 2c3s n ASN 221 Ca 0.00 -2.05 0.11 0.00 -0.53 0.00 0.00 54.58 52.12 2c3s n ASN 221 Cb 0.42 0.42 0.27 0.00 -2.08 0.00 0.00 39.78 38.80 2c3s n ASN 221 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2c3s n ARG 222 N -0.48 2.21 -2.52 -3.83 -4.01 -1.26 -4.96 116.66 101.81 2c3s n ARG 222 Ca -0.05 -1.81 -0.23 0.00 -1.04 0.00 0.00 57.85 54.72 2c3s n ARG 222 Cb 0.30 -1.47 0.06 0.00 -3.04 0.00 0.00 32.46 28.31 2c3s n ARG 222 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 2c3s s PHE 223 N -1.66 2.52 0.34 2.89 0.40 -1.26 -5.12 117.98 116.08 2c3s s PHE 223 Ca 0.35 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.75 2c3s s PHE 223 Cb 0.21 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.79 2c3s s PHE 223 CO 0.30 -1.24 0.36 -2.37 0.70 0.00 0.00 175.22 172.97 2c3s n THR 224 N -2.62 0.00 -2.93 0.64 5.66 -1.26 -4.72 114.28 109.05 2c3s n THR 224 Ca 0.10 -2.18 0.00 0.00 -3.05 0.00 0.00 64.05 58.92 2c3s n THR 224 Cb 0.60 1.17 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 2c3s n THR 224 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2c3s n THR 225 N -0.61 0.00 -4.20 1.09 -1.04 -1.23 -4.82 114.28 103.47 2c3s n THR 225 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.94 2c3s n THR 225 Cb 0.60 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.01 2c3s n THR 225 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2c3s s THR 226 N -2.99 0.34 0.40 12.58 -4.23 -1.26 -4.89 115.64 115.59 2c3s s THR 226 Ca 0.00 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 2c3s s THR 226 Cb 0.00 -2.16 0.29 0.00 1.34 0.00 0.00 72.50 71.98 2c3s s THR 226 CO 0.00 -0.39 2.00 -0.07 -0.54 0.00 0.00 174.62 175.62 2c3s h LEU 227 N 2.75 0.50 -0.00 4.79 3.38 -1.99 -0.46 115.31 124.28 2c3s h LEU 227 Ca -0.36 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2c3s h LEU 227 Cb 1.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2c3s h LEU 227 CO 0.60 0.33 -0.00 -0.55 0.09 0.00 0.00 178.44 178.91 2c3s h ASN 228 N 0.58 0.00 -0.47 -0.43 -1.07 -1.96 -1.78 115.58 110.44 2c3s h ASN 228 Ca 0.24 -0.50 -0.07 0.00 0.07 0.00 0.00 56.30 56.05 2c3s h ASN 228 Cb 0.23 -0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.46 2c3s h ASN 228 CO -0.07 0.50 0.06 -0.78 0.07 0.00 0.00 177.43 177.21 2c3s h ASP 229 N -0.50 0.81 -0.09 6.14 3.58 -1.91 -2.48 116.42 121.99 2c3s h ASP 229 Ca 0.00 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 2c3s h ASP 229 Cb 0.50 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2c3s h ASP 229 CO 0.00 0.84 -0.06 0.15 -2.88 0.00 0.00 179.24 177.29 2c3s h PHE 230 N 0.81 0.22 0.00 0.28 3.57 -1.15 -3.07 116.94 117.61 2c3s h PHE 230 Ca 0.17 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2c3s h PHE 230 Cb 0.39 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2c3s h PHE 230 CO 0.02 0.59 -0.00 -0.91 -2.23 0.00 0.00 178.31 175.78 2c3s h ASN 231 N -0.20 0.00 -0.28 0.41 2.35 -1.21 0.28 115.58 116.93 2c3s h ASN 231 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2c3s h ASN 231 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2c3s h ASN 231 CO 0.02 0.00 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.63 2c3s h LEU 232 N 0.00 0.58 -0.63 1.61 3.38 -1.35 0.65 115.31 119.55 2c3s h LEU 232 Ca -0.00 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 2c3s h LEU 232 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2c3s h LEU 232 CO 0.00 0.84 -0.17 0.58 0.09 0.00 0.00 178.44 179.78 2c3s h VAL 233 N 0.32 1.27 -0.61 1.22 2.07 -0.93 -2.79 116.25 116.80 2c3s h VAL 233 Ca 0.07 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.30 2c3s h VAL 233 Cb 0.60 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2c3s h VAL 233 CO 0.03 0.45 0.40 0.00 0.02 0.00 0.00 177.57 178.47 2c3s h ALA 234 N 1.01 0.78 -0.82 1.67 0.00 -0.26 -1.89 119.26 119.75 2c3s h ALA 234 Ca 0.12 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2c3s h ALA 234 Cb 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2c3s h ALA 234 CO 0.05 0.18 0.54 1.98 0.00 0.00 0.00 179.25 182.01 2c3s h MET 235 N 0.80 1.02 -0.25 0.00 -1.53 -0.70 -0.23 114.93 114.04 2c3s h MET 235 Ca 0.23 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.41 2c3s h MET 235 Cb -0.07 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 30.74 2c3s h MET 235 CO -0.06 0.67 0.08 -0.22 0.14 0.00 0.00 176.91 177.52 2c3s h LYS 236 N 1.05 0.39 -0.66 0.39 1.63 -1.10 -3.21 116.57 115.06 2c3s h LYS 236 Ca 0.32 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2c3s h LYS 236 Cb -0.02 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 2c3s h LYS 236 CO -0.09 0.46 0.00 0.66 -3.45 0.00 0.00 179.45 177.04 2c3s n TYR 237 N -4.75 1.66 -3.56 1.91 4.02 -0.89 -4.94 117.16 110.63 2c3s n TYR 237 Ca -0.03 -0.58 -0.20 0.00 -0.01 0.00 0.00 57.90 57.08 2c3s n TYR 237 Cb 0.16 -0.42 0.07 0.00 -0.02 0.00 0.00 39.34 39.13 2c3s n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2c3s n ASN 238 N 0.53 -3.15 -4.61 7.72 5.15 -0.80 -4.89 115.26 115.22 2c3s n ASN 238 Ca 0.22 -0.65 -0.32 0.00 -0.60 0.00 0.00 54.58 53.23 2c3s n ASN 238 Cb 1.00 -4.82 -0.10 0.00 -0.53 0.00 0.00 39.78 35.33 2c3s n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2c3s s TYR 239 N -3.40 2.92 0.42 1.20 1.51 -0.16 -1.94 117.35 117.89 2c3s s TYR 239 Ca 0.19 -0.01 -0.27 0.00 -1.01 0.00 0.00 57.07 55.98 2c3s s TYR 239 Cb -0.09 -1.63 -0.10 0.00 -0.11 0.00 0.00 41.96 40.03 2c3s s TYR 239 CO 0.75 0.38 1.46 -1.21 -1.11 0.00 0.00 175.55 175.82 2c3s s GLU 240 N -1.33 3.88 0.50 -0.62 0.41 -0.42 -4.36 118.70 116.76 2c3s s GLU 240 Ca 0.17 2.51 -0.22 0.00 -0.41 0.00 0.00 54.97 57.02 2c3s s GLU 240 Cb -0.11 -2.80 -0.06 0.00 -1.78 0.00 0.00 34.13 29.37 2c3s s GLU 240 CO 0.07 -0.69 1.20 -2.14 -0.49 0.00 0.00 175.26 173.20 2c3s s PRO 241 N -2.29 3.51 0.02 0.39 0.02 -1.26 -4.55 135.00 130.85 2c3s s PRO 241 Ca 0.57 1.84 -0.18 0.00 0.02 0.00 0.00 61.00 63.25 2c3s s PRO 241 Cb -0.45 -2.28 -0.06 0.00 0.02 0.00 0.00 34.50 31.73 2c3s s PRO 241 CO 0.60 -0.77 0.51 -0.51 -0.33 0.00 0.00 177.00 176.50 2c3s s LEU 242 N -3.32 4.47 0.36 -5.54 1.43 -1.26 -4.99 118.68 109.83 2c3s s LEU 242 Ca 0.68 1.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 2c3s s LEU 242 Cb -0.30 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 2c3s s LEU 242 CO 0.36 0.24 0.08 0.42 0.23 0.00 0.00 176.35 177.68 2c3s s THR 243 N -0.80 2.60 0.32 5.49 -4.23 -1.26 -4.98 115.64 112.79 2c3s s THR 243 Ca 0.27 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2c3s s THR 243 Cb -0.18 -2.89 0.25 0.00 1.34 0.00 0.00 72.50 71.02 2c3s s THR 243 CO 0.16 -0.14 1.98 -0.61 -0.54 0.00 0.00 174.62 175.47 2c3s h GLN 244 N 1.66 0.94 -0.73 3.99 5.75 -2.00 -1.34 115.11 123.38 2c3s h GLN 244 Ca -0.43 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.03 2c3s h GLN 244 Cb 1.25 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 2c3s h GLN 244 CO 0.68 0.64 0.48 -0.44 -2.65 0.00 0.00 178.83 177.53 2c3s h ASP 245 N 0.97 0.78 -0.49 -0.69 3.45 -1.99 -0.54 116.42 117.90 2c3s h ASP 245 Ca 0.26 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 2c3s h ASP 245 Cb -0.08 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.48 2c3s h ASP 245 CO -0.05 0.54 -0.02 0.45 -1.57 0.00 0.00 179.24 178.59 2c3s h HIS 246 N 0.91 0.97 -0.53 4.55 3.86 -1.65 -1.32 115.15 121.93 2c3s h HIS 246 Ca 0.29 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2c3s h HIS 246 Cb 0.02 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2c3s h HIS 246 CO -0.00 0.91 0.21 0.28 0.86 0.00 0.00 177.93 180.19 2c3s h VAL 247 N 0.74 1.22 -0.69 2.45 2.07 -0.92 -2.38 116.25 118.74 2c3s h VAL 247 Ca 0.14 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2c3s h VAL 247 Cb 0.54 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2c3s h VAL 247 CO 0.03 0.26 0.32 0.44 0.02 0.00 0.00 177.57 178.64 2c3s h ASP 248 N 0.71 0.89 -0.27 0.57 3.45 -0.98 -2.46 116.42 118.32 2c3s h ASP 248 Ca 0.18 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 2c3s h ASP 248 Cb 0.20 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 2c3s h ASP 248 CO -0.01 0.76 0.05 0.40 -1.57 0.00 0.00 179.24 178.87 2c3s h ILE 249 N 0.98 1.19 -0.00 0.35 2.04 -0.85 -2.44 117.51 118.78 2c3s h ILE 249 Ca 0.24 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2c3s h ILE 249 Cb 0.11 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2c3s h ILE 249 CO -0.03 0.24 -0.01 0.18 0.00 0.00 0.00 178.15 178.54 2c3s n LEU 250 N -4.31 0.12 0.06 1.44 4.77 -0.93 -4.29 117.00 113.86 2c3s n LEU 250 Ca 0.02 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2c3s n LEU 250 Cb 0.21 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2c3s n LEU 250 CO 0.38 0.02 0.60 1.23 -1.33 0.00 0.00 177.39 178.29 2c3s h GLY 251 N 4.99 -0.74 -0.14 -0.72 0.00 -1.36 -0.17 103.07 104.94 2c3s h GLY 251 Ca 0.00 0.49 0.20 0.00 0.00 0.00 0.00 47.33 48.02 2c3s h GLY 251 CO 0.00 -0.25 0.36 -2.55 0.00 0.00 0.00 176.54 174.11 2c3s h PRO 252 N -0.56 0.39 -0.38 4.80 0.11 -1.82 0.35 132.00 134.90 2c3s h PRO 252 Ca 0.05 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 2c3s h PRO 252 Cb 0.64 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2c3s h PRO 252 CO -0.31 0.26 -0.30 1.25 -0.21 0.00 0.00 178.00 178.69 2c3s h LEU 253 N 0.40 0.85 0.03 2.35 5.85 -1.75 -2.59 115.31 120.45 2c3s h LEU 253 Ca 0.53 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2c3s h LEU 253 Cb 0.97 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2c3s h LEU 253 CO -0.51 1.09 -0.02 0.77 -0.34 0.00 0.00 178.44 179.43 2c3s h SER 254 N 0.69 -0.04 -0.85 1.25 4.64 0.12 -2.22 113.55 117.14 2c3s h SER 254 Ca 0.08 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2c3s h SER 254 Cb 0.84 0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 2c3s h SER 254 CO 0.07 0.10 0.53 0.00 -0.87 0.00 0.00 176.83 176.67 2c3s h ALA 255 N 0.79 1.16 0.00 5.18 0.00 -0.42 -1.48 119.26 124.49 2c3s h ALA 255 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c3s h ALA 255 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2c3s h ALA 255 CO 0.01 0.31 -0.10 0.37 0.00 0.00 0.00 179.25 179.83 2c3s h GLN 256 N 0.99 0.00 0.00 0.00 -0.00 -1.42 -3.33 115.11 111.35 2c3s h GLN 256 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 2c3s h GLN 256 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.60 2c3s h GLN 256 CO -0.16 0.00 -1.84 0.25 0.00 0.00 0.00 178.83 177.09 2c3s n THR 257 N -2.84 0.00 -0.95 2.39 -2.24 -0.84 -4.99 114.28 104.81 2c3s n THR 257 Ca 0.04 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2c3s n THR 257 Cb 0.51 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2c3s n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3s n GLY 258 N 1.36 0.41 3.07 3.38 0.00 -0.58 -5.03 105.19 107.80 2c3s n GLY 258 Ca -0.03 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2c3s n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c3s s ILE 259 N -2.00 1.97 0.57 -0.61 -1.09 -1.19 -5.08 121.20 113.76 2c3s s ILE 259 Ca 0.00 -1.14 -0.21 0.00 -2.23 0.00 0.00 60.65 57.08 2c3s s ILE 259 Cb 0.00 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 2c3s s ILE 259 CO 0.00 0.29 1.32 0.00 -1.23 0.00 0.00 174.94 175.31 2c3s s ALA 260 N 1.27 2.70 0.17 9.38 0.00 -1.26 -4.48 121.76 129.55 2c3s s ALA 260 Ca -0.00 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 2c3s s ALA 260 Cb -0.16 -3.54 0.12 0.00 0.00 0.00 0.00 23.12 19.54 2c3s s ALA 260 CO -0.09 -1.36 1.74 0.28 0.00 0.00 0.00 175.76 176.33 2c3s h VAL 261 N 1.22 0.83 0.00 0.00 2.07 -1.93 -0.99 116.25 117.44 2c3s h VAL 261 Ca -0.51 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2c3s h VAL 261 Cb 1.30 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2c3s h VAL 261 CO 0.56 0.05 -0.01 -0.07 0.02 0.00 0.00 177.57 178.13 2c3s h LEU 262 N 0.28 0.00 -0.08 2.57 3.38 -1.90 -1.35 115.31 118.20 2c3s h LEU 262 Ca 0.20 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.94 2c3s h LEU 262 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2c3s h LEU 262 CO -0.23 0.01 -1.04 0.44 0.09 0.00 0.00 178.44 177.71 2c3s h ASP 263 N 0.00 0.34 0.16 -0.43 5.19 -1.49 -1.88 116.42 118.32 2c3s h ASP 263 Ca -0.00 -0.32 -0.17 0.00 -0.62 0.00 0.00 57.03 55.93 2c3s h ASP 263 Cb 0.31 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2c3s h ASP 263 CO 0.00 1.18 -0.63 -0.03 -3.12 0.00 0.00 179.24 176.64 2c3s h MET 264 N 0.11 0.45 -0.19 3.56 4.05 -0.75 -2.45 114.93 119.71 2c3s h MET 264 Ca -0.08 -0.32 -0.05 0.00 -0.28 0.00 0.00 59.70 58.97 2c3s h MET 264 Cb 1.72 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.56 2c3s h MET 264 CO 0.16 0.94 -0.11 0.00 0.23 0.00 0.00 176.91 178.13 2c3s h ALA 266 N 1.60 1.09 -0.09 0.00 0.00 -1.01 -0.88 119.26 119.97 2c3s h ALA 266 Ca 0.06 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2c3s h ALA 266 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2c3s h ALA 266 CO 0.02 0.64 -0.66 0.00 0.00 0.00 0.00 179.25 179.25 2c3s h ALA 267 N 1.40 0.21 -0.37 0.00 0.00 -0.84 -2.89 119.26 116.77 2c3s h ALA 267 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2c3s h ALA 267 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2c3s h ALA 267 CO 0.07 0.50 0.17 1.25 0.00 0.00 0.00 179.25 181.24 2c3s h LEU 268 N 0.25 0.49 -0.60 0.00 6.46 -0.94 -2.30 115.31 118.67 2c3s h LEU 268 Ca -0.06 -0.14 0.11 0.00 -0.12 0.00 0.00 57.88 57.68 2c3s h LEU 268 Cb 1.31 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 41.02 2c3s h LEU 268 CO 0.13 0.50 0.13 0.50 -0.62 0.00 0.00 178.44 179.08 2c3s h LYS 269 N 0.45 0.25 -0.65 1.25 3.64 -1.18 -1.33 116.57 119.00 2c3s h LYS 269 Ca 0.13 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2c3s h LYS 269 Cb 0.14 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2c3s h LYS 269 CO -0.01 0.16 0.17 1.49 -2.27 0.00 0.00 179.45 178.99 2c3s h GLU 270 N 0.26 1.04 -0.63 1.90 4.81 -1.27 -1.75 114.58 118.95 2c3s h GLU 270 Ca 0.32 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2c3s h GLU 270 Cb 0.47 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2c3s h GLU 270 CO -0.40 0.93 0.41 -0.07 -0.73 0.00 0.00 179.01 179.15 2c3s h LEU 271 N 0.97 0.70 -0.17 1.64 3.38 -0.72 0.11 115.31 121.23 2c3s h LEU 271 Ca 0.21 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 2c3s h LEU 271 Cb 0.35 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2c3s h LEU 271 CO 0.00 0.51 -0.74 -0.07 0.09 0.00 0.00 178.44 178.22 2c3s h LEU 272 N 0.83 0.95 -0.33 1.67 3.38 -0.97 0.15 115.31 120.98 2c3s h LEU 272 Ca 0.23 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2c3s h LEU 272 Cb -0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.40 2c3s h LEU 272 CO -0.05 1.41 0.00 1.56 0.09 0.00 0.00 178.44 181.45 2c3s h GLN 273 N 0.55 0.00 0.00 1.13 4.20 -0.72 -3.39 115.11 116.88 2c3s h GLN 273 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c3s h GLN 273 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2c3s h GLN 273 CO 0.15 0.00 -0.92 0.09 -0.67 0.00 0.00 178.83 177.48 2c3s n ASN 274 N -2.93 2.20 0.00 1.46 3.02 0.34 -5.08 115.26 114.27 2c3s n ASN 274 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2c3s n ASN 274 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2c3s n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c3s n GLY 275 N 3.16 -1.48 0.01 7.41 0.00 0.51 -4.78 105.19 110.02 2c3s n GLY 275 Ca 0.00 -2.23 0.11 0.00 0.00 0.00 0.00 46.02 43.90 2c3s n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2c3s n MET 276 N -0.48 0.16 -3.77 1.61 2.81 -1.26 -4.74 117.12 111.45 2c3s n MET 276 Ca 0.00 -0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.55 2c3s n MET 276 Cb 0.00 -1.54 0.03 0.00 -0.71 0.00 0.00 33.22 31.00 2c3s n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2c3s n ASN 277 N -1.74 -5.10 0.00 7.83 4.13 -1.26 -0.96 115.26 118.16 2c3s n ASN 277 Ca 0.03 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.26 2c3s n ASN 277 Cb 0.39 -2.73 0.00 0.00 -1.54 0.00 0.00 39.78 35.90 2c3s n ASN 277 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c3s n GLY 278 N -1.80 1.23 3.71 7.41 0.00 -1.26 -4.93 105.19 109.55 2c3s n GLY 278 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2c3s n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3s n ARG 279 N 0.00 1.12 -4.49 1.61 1.74 -0.13 -5.01 116.66 111.49 2c3s n ARG 279 Ca 0.00 0.44 -0.24 0.00 -0.77 0.00 0.00 57.85 57.28 2c3s n ARG 279 Cb 0.00 -2.47 -0.10 0.00 -1.02 0.00 0.00 32.46 28.86 2c3s n ARG 279 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2c3s s THR 280 N -1.40 2.06 -0.09 0.55 -4.23 -1.26 -4.80 115.64 106.47 2c3s s THR 280 Ca 0.81 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2c3s s THR 280 Cb -0.39 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 70.97 2c3s s THR 280 CO 0.42 -0.28 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.56 2c3s s ILE 281 N -2.74 0.67 -1.36 2.99 1.01 -0.18 -4.81 121.20 116.79 2c3s s ILE 281 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 2c3s s ILE 281 Cb 0.02 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.72 2c3s s ILE 281 CO 0.14 0.29 0.70 0.18 0.00 0.00 0.00 174.94 176.25 2c3s n LEU 282 N 5.05 -2.89 -1.67 2.97 4.77 -1.26 -0.59 117.00 123.38 2c3s n LEU 282 Ca -0.09 -0.84 -0.19 0.00 -0.03 0.00 0.00 56.01 54.85 2c3s n LEU 282 Cb 0.50 -2.58 -0.07 0.00 -2.33 0.00 0.00 43.42 38.94 2c3s n LEU 282 CO 0.13 0.42 -0.19 0.61 -1.33 0.00 0.00 177.39 177.03 2c3s n GLY 283 N -1.65 1.50 3.40 -0.72 0.00 -1.26 -3.30 105.19 103.16 2c3s n GLY 283 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2c3s n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c3s s SER 284 N -2.54 3.36 0.00 1.61 0.15 0.24 -4.83 113.70 111.69 2c3s s SER 284 Ca 0.00 -0.74 0.13 0.00 0.70 0.00 0.00 55.95 56.05 2c3s s SER 284 Cb 0.00 -0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2c3s s SER 284 CO 0.00 0.18 0.80 0.35 1.20 0.00 0.00 173.24 175.77 2c3s n THR 285 N 0.90 0.00 -4.17 6.45 -2.24 -1.26 -1.01 114.28 112.95 2c3s n THR 285 Ca -0.18 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2c3s n THR 285 Cb 0.53 1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 69.85 2c3s n THR 285 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2c3s s ILE 286 N -1.48 0.91 -0.33 2.28 1.10 -1.26 -4.95 121.20 117.46 2c3s s ILE 286 Ca 0.12 -1.64 -0.29 0.00 -0.51 0.00 0.00 60.65 58.33 2c3s s ILE 286 Cb 0.11 -1.36 0.00 0.00 0.15 0.00 0.00 42.46 41.36 2c3s s ILE 286 CO 0.28 -0.58 1.34 -0.76 -2.11 0.00 0.00 174.94 173.11 2c3s s LEU 287 N -2.46 3.80 0.05 8.50 1.43 -1.26 -4.99 118.68 123.75 2c3s s LEU 287 Ca 0.05 1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 2c3s s LEU 287 Cb -0.02 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2c3s s LEU 287 CO -0.00 -1.18 1.19 -0.70 0.23 0.00 0.00 176.35 175.88 2c3s s GLU 288 N 4.40 4.43 -0.11 1.70 2.56 -1.26 -4.96 118.70 125.45 2c3s s GLU 288 Ca 0.58 1.75 0.17 0.00 0.00 0.00 0.00 54.97 57.46 2c3s s GLU 288 Cb -0.16 -3.37 0.25 0.00 2.00 0.00 0.00 34.13 32.85 2c3s s GLU 288 CO 0.26 -0.26 1.13 -0.40 -0.56 0.00 0.00 175.26 175.43 2c3s n ASP 289 N 4.03 2.16 -1.47 -1.70 3.85 -1.26 -3.91 116.55 118.25 2c3s n ASP 289 Ca 0.09 -2.95 0.01 0.00 -0.71 0.00 0.00 54.79 51.23 2c3s n ASP 289 Cb 0.47 -0.39 0.29 0.00 -1.35 0.00 0.00 41.12 40.13 2c3s n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2c3s n GLU 290 N -1.28 3.29 -4.26 0.11 1.02 -1.26 -4.67 120.64 113.58 2c3s n GLU 290 Ca 0.14 -3.03 -0.31 0.00 -0.02 0.00 0.00 57.16 53.94 2c3s n GLU 290 Cb 0.62 -2.03 -0.16 0.00 -0.02 0.00 0.00 31.44 29.85 2c3s n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2c3s s PHE 291 N -2.96 2.44 0.58 -0.32 0.40 -1.26 -4.83 117.98 112.04 2c3s s PHE 291 Ca 0.49 -1.34 -0.05 0.00 -0.60 0.00 0.00 56.93 55.43 2c3s s PHE 291 Cb 0.40 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 42.22 2c3s s PHE 291 CO 0.10 -0.67 0.89 0.95 0.70 0.00 0.00 175.22 177.18 2c3s s THR 292 N 1.20 3.66 0.47 0.64 -4.23 -1.26 -4.36 115.64 111.76 2c3s s THR 292 Ca 0.01 -0.03 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 2c3s s THR 292 Cb -0.14 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.55 2c3s s THR 292 CO -0.08 -0.45 2.07 -0.65 -0.54 0.00 0.00 174.62 174.97 2c3s h PRO 293 N -0.14 0.25 -0.35 3.99 0.11 -1.91 -1.05 132.00 132.90 2c3s h PRO 293 Ca -0.45 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2c3s h PRO 293 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2c3s h PRO 293 CO 0.60 0.17 -0.38 0.74 -0.21 0.00 0.00 178.00 178.92 2c3s h PHE 294 N 0.26 0.98 -0.59 0.65 -1.00 -1.94 -1.86 116.94 113.44 2c3s h PHE 294 Ca 0.13 -0.29 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 2c3s h PHE 294 Cb 0.19 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 2c3s h PHE 294 CO -0.00 1.07 0.09 -0.44 -1.61 0.00 0.00 178.31 177.43 2c3s h ASP 295 N 0.68 0.93 -0.07 2.17 3.32 -1.59 -0.74 116.42 121.12 2c3s h ASP 295 Ca 0.06 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2c3s h ASP 295 Cb 0.94 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2c3s h ASP 295 CO 0.09 0.96 0.02 0.58 -1.72 0.00 0.00 179.24 179.17 2c3s h VAL 296 N 0.87 1.16 -0.83 -1.35 2.07 -1.20 0.54 116.25 117.52 2c3s h VAL 296 Ca 0.18 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2c3s h VAL 296 Cb 0.42 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2c3s h VAL 296 CO 0.01 0.13 0.40 0.58 0.02 0.00 0.00 177.57 178.71 2c3s h VAL 297 N -0.07 1.26 -0.53 2.57 2.07 -1.28 -0.84 116.25 119.43 2c3s h VAL 297 Ca 0.02 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 2c3s h VAL 297 Cb 0.19 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2c3s h VAL 297 CO -0.00 0.31 -0.14 -0.09 0.02 0.00 0.00 177.57 177.67 2c3s h ARG 298 N 1.17 1.03 0.00 1.57 2.43 -1.00 -0.94 114.38 118.65 2c3s h ARG 298 Ca 0.28 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2c3s h ARG 298 Cb 0.12 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2c3s h ARG 298 CO -0.04 1.09 0.00 0.37 -1.51 0.00 0.00 179.97 179.89 2c3s h GLN 299 N 0.91 0.00 0.00 0.20 4.15 -0.67 -1.75 115.11 117.95 2c3s h GLN 299 Ca 0.13 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.37 2c3s h GLN 299 Cb 0.72 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2c3s h GLN 299 CO 0.05 0.00 -1.88 0.00 -1.93 0.00 0.00 178.83 175.07 2c3s n SER 301 N -2.67 0.31 0.00 0.00 3.41 -0.37 -5.08 113.62 109.22 2c3s n SER 301 Ca -0.16 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2c3s n SER 301 Cb 0.86 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 66.23 2c3s n SER 301 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49