#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i3s s GLN 2 N 0.00 0.71 -0.12 2.12 0.74 -0.64 -5.00 119.66 117.46 2i3s s GLN 2 Ca 0.00 0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.79 2i3s s GLN 2 Cb 0.00 0.33 -0.01 0.00 1.10 0.00 0.00 33.01 34.43 2i3s s GLN 2 CO 0.00 -0.15 -0.18 0.42 -0.55 0.00 0.00 175.29 174.83 2i3s s ILE 3 N -0.47 2.64 -0.04 -2.34 1.09 -1.26 -0.24 121.20 120.59 2i3s s ILE 3 Ca -0.06 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 58.72 2i3s s ILE 3 Cb -0.03 -2.08 -0.00 0.00 -1.06 0.00 0.00 42.46 39.29 2i3s s ILE 3 CO 0.04 0.54 -0.15 0.68 -0.10 0.00 0.00 174.94 175.95 2i3s s VAL 4 N 0.35 1.23 0.08 2.92 -7.23 -0.39 -4.98 120.40 112.40 2i3s s VAL 4 Ca -0.14 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2i3s s VAL 4 Cb -0.17 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 2i3s s VAL 4 CO 0.07 0.36 0.32 -1.58 -0.31 0.00 0.00 175.10 173.96 2i3s s GLN 5 N 0.12 3.60 0.14 4.82 0.74 -1.26 -0.75 119.66 127.06 2i3s s GLN 5 Ca -0.04 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 2i3s s GLN 5 Cb -0.11 -2.96 -0.07 0.00 1.10 0.00 0.00 33.01 30.97 2i3s s GLN 5 CO 0.02 0.55 1.15 0.42 -0.55 0.00 0.00 175.29 176.88 2i3s s ILE 6 N -1.50 3.89 0.02 -2.34 -1.09 -0.36 -4.97 121.20 114.84 2i3s s ILE 6 Ca 0.35 1.51 -0.15 0.00 -2.23 0.00 0.00 60.65 60.14 2i3s s ILE 6 Cb -0.13 -3.97 -0.08 0.00 -1.58 0.00 0.00 42.46 36.70 2i3s s ILE 6 CO 0.22 0.21 1.09 -0.33 -1.23 0.00 0.00 174.94 174.90 2i3s h GLU 7 N 5.73 -0.52 -4.49 2.79 4.39 -1.96 -3.41 114.58 117.11 2i3s h GLU 7 Ca -0.43 0.04 -0.71 0.00 0.34 0.00 0.00 59.36 58.59 2i3s h GLU 7 Cb 1.21 0.12 -0.28 0.00 -0.10 0.00 0.00 28.75 29.70 2i3s h GLU 7 CO 0.76 -0.35 -0.49 -0.65 -1.16 0.00 0.00 179.01 177.12 2i3s s GLN 8 N -3.95 2.60 0.13 2.33 -0.21 -1.26 -5.07 119.66 114.23 2i3s s GLN 8 Ca -0.08 -1.41 0.10 0.00 0.02 0.00 0.00 55.36 54.00 2i3s s GLN 8 Cb 0.01 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 2i3s s GLN 8 CO 0.24 -0.90 -0.25 0.00 -2.12 0.00 0.00 175.29 172.25 2i3s s ALA 9 N 1.42 2.23 0.24 6.09 0.00 -1.26 -5.03 121.76 125.45 2i3s s ALA 9 Ca 0.03 -1.42 -0.31 0.00 0.00 0.00 0.00 51.96 50.25 2i3s s ALA 9 Cb -0.22 -0.34 -0.13 0.00 0.00 0.00 0.00 23.12 22.43 2i3s s ALA 9 CO 0.02 0.48 1.40 -2.30 0.00 0.00 0.00 175.76 175.37 2i3s n PRO 10 N 0.91 2.03 -0.09 0.00 -0.02 -1.26 -4.90 135.00 131.66 2i3s n PRO 10 Ca -0.18 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2i3s n PRO 10 Cb 0.53 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2i3s n PRO 10 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2i3s h LYS 11 N 4.17 0.49 -7.28 -0.52 1.79 -1.96 -3.35 116.57 109.91 2i3s h LYS 11 Ca -0.45 -0.19 -0.43 0.00 -2.18 0.00 0.00 60.65 57.40 2i3s h LYS 11 Cb 1.28 -0.03 0.19 0.00 -1.58 0.00 0.00 32.23 32.09 2i3s h LYS 11 CO 0.75 0.71 0.09 0.34 -1.08 0.00 0.00 179.45 180.27 2i3s s ASP 12 N -6.09 1.29 0.07 0.86 -1.08 -1.26 -0.01 116.67 110.45 2i3s s ASP 12 Ca -0.13 1.05 -0.35 0.00 -0.52 0.00 0.00 52.55 52.59 2i3s s ASP 12 Cb 0.07 -1.60 -0.15 0.00 -1.46 0.00 0.00 42.92 39.78 2i3s s ASP 12 CO 0.76 -3.94 1.53 0.00 0.52 0.00 0.00 175.17 174.05 2i3s n TYR 13 N -4.70 1.97 -2.94 -5.34 4.19 -1.26 -4.38 117.16 104.71 2i3s n TYR 13 Ca 0.07 0.40 -0.42 0.00 3.31 0.00 0.00 57.90 61.27 2i3s n TYR 13 Cb 0.58 -2.47 -0.05 0.00 0.49 0.00 0.00 39.34 37.89 2i3s n TYR 13 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2i3s s ILE 14 N 1.29 4.81 -0.12 2.97 -1.09 -1.26 -0.74 121.20 127.07 2i3s s ILE 14 Ca 0.84 1.27 0.17 0.00 -2.23 0.00 0.00 60.65 60.69 2i3s s ILE 14 Cb -0.82 -4.13 -0.17 0.00 -1.58 0.00 0.00 42.46 35.76 2i3s s ILE 14 CO 0.45 -0.20 0.72 -1.54 -1.23 0.00 0.00 174.94 173.14 2i3s n SER 15 N 6.15 0.74 -3.46 3.58 3.41 -0.04 -4.79 113.62 119.22 2i3s n SER 15 Ca 0.04 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.84 2i3s n SER 15 Cb 0.48 0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 2i3s n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i3s s ASP 16 N -5.72 -0.60 -0.04 4.04 -1.08 -1.18 -4.74 116.67 107.35 2i3s s ASP 16 Ca -0.04 0.25 -0.01 0.00 -0.52 0.00 0.00 52.55 52.23 2i3s s ASP 16 Cb 0.09 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 42.16 2i3s s ASP 16 CO 0.82 -0.84 0.09 -0.63 0.52 0.00 0.00 175.17 175.12 2i3s s ILE 17 N -2.86 -0.06 -0.03 4.11 1.01 -1.26 -2.11 121.20 120.00 2i3s s ILE 17 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2i3s s ILE 17 Cb -0.01 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.32 2i3s s ILE 17 CO -0.05 0.09 -0.04 -0.54 0.00 0.00 0.00 174.94 174.39 2i3s s LYS 18 N 1.20 0.71 -0.14 2.79 -0.14 0.51 -4.75 119.74 119.92 2i3s s LYS 18 Ca -0.08 -0.11 -0.05 0.00 -1.36 0.00 0.00 55.97 54.37 2i3s s LYS 18 Cb -0.12 -0.73 -0.04 0.00 -1.68 0.00 0.00 37.83 35.26 2i3s s LYS 18 CO -0.04 -0.04 0.03 0.42 -0.76 0.00 0.00 175.35 174.95 2i3s s ILE 19 N 0.71 4.48 -0.90 2.17 1.01 -1.26 -0.04 121.20 127.37 2i3s s ILE 19 Ca -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2i3s s ILE 19 Cb -0.12 -2.96 0.22 0.00 0.01 0.00 0.00 42.46 39.61 2i3s s ILE 19 CO 0.00 0.52 0.80 -0.63 0.00 0.00 0.00 174.94 175.63 2i3s s ILE 20 N -0.11 4.57 0.25 2.92 1.01 0.11 -4.93 121.20 125.02 2i3s s ILE 20 Ca 0.05 -3.68 -0.05 0.00 0.00 0.00 0.00 60.65 56.97 2i3s s ILE 20 Cb -0.12 -3.83 0.25 0.00 0.01 0.00 0.00 42.46 38.76 2i3s s ILE 20 CO 0.02 -1.08 1.67 1.55 0.00 0.00 0.00 174.94 177.09 2i3s h PRO 21 N 6.25 0.21 -1.31 2.79 0.13 -1.95 0.27 132.00 138.39 2i3s h PRO 21 Ca 0.14 -0.01 0.38 0.00 -0.87 0.00 0.00 66.00 65.64 2i3s h PRO 21 Cb 0.84 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 2i3s h PRO 21 CO 0.86 0.14 0.92 1.03 -0.23 0.00 0.00 178.00 180.72 2i3s h SER 22 N 0.22 0.10 0.00 1.44 0.87 -1.97 -1.28 113.55 112.94 2i3s h SER 22 Ca 0.43 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2i3s h SER 22 Cb 0.75 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2i3s h SER 22 CO -0.56 -0.01 0.00 0.29 -0.53 0.00 0.00 176.83 176.02 2i3s n LYS 23 N -4.28 1.72 -3.85 2.24 5.02 -0.35 -5.01 118.16 113.66 2i3s n LYS 23 Ca 0.30 -1.07 -0.26 0.00 -2.02 0.00 0.00 58.31 55.26 2i3s n LYS 23 Cb 1.34 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2i3s n LYS 23 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2i3s n SER 24 N -0.29 -1.43 -4.58 4.39 7.64 0.81 -4.88 113.62 115.28 2i3s n SER 24 Ca 0.00 -0.98 -0.30 0.00 1.01 0.00 0.00 58.87 58.61 2i3s n SER 24 Cb 0.33 -3.30 -0.10 0.00 -1.01 0.00 0.00 64.21 60.14 2i3s n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2i3s s LEU 25 N -6.82 3.05 -0.17 -3.43 1.43 -0.84 -2.12 118.68 109.78 2i3s s LEU 25 Ca 0.09 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2i3s s LEU 25 Cb -0.03 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2i3s s LEU 25 CO 0.87 0.18 -0.20 -0.22 0.23 0.00 0.00 176.35 177.21 2i3s s LEU 26 N -2.17 2.12 -0.22 1.79 2.96 0.15 -0.71 118.68 122.59 2i3s s LEU 26 Ca 0.21 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2i3s s LEU 26 Cb -0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2i3s s LEU 26 CO 0.13 0.02 0.04 -0.76 -1.32 0.00 0.00 176.35 174.46 2i3s s LEU 27 N 1.17 3.39 -0.05 -0.68 1.43 0.94 -0.83 118.68 124.05 2i3s s LEU 27 Ca 0.02 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2i3s s LEU 27 Cb -0.14 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2i3s s LEU 27 CO -0.10 0.03 -0.10 -0.63 0.23 0.00 0.00 176.35 175.78 2i3s s ILE 28 N 1.20 0.93 0.04 -0.59 1.01 -0.64 -0.36 121.20 122.79 2i3s s ILE 28 Ca 0.04 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.37 2i3s s ILE 28 Cb -0.14 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2i3s s ILE 28 CO 0.02 0.30 -0.15 0.42 0.00 0.00 0.00 174.94 175.53 2i3s s THR 29 N 0.56 3.01 0.11 2.92 -4.23 -0.90 -1.00 115.64 116.11 2i3s s THR 29 Ca -0.10 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 2i3s s THR 29 Cb -0.13 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 2i3s s THR 29 CO 0.02 0.32 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.83 2i3s s SER 30 N -1.54 1.00 0.00 3.99 0.15 -0.95 -0.86 113.70 115.49 2i3s s SER 30 Ca 0.16 -1.05 0.17 0.00 0.70 0.00 0.00 55.95 55.93 2i3s s SER 30 Cb -0.11 0.13 1.01 0.00 -1.71 0.00 0.00 66.02 65.34 2i3s s SER 30 CO 0.07 -0.52 1.43 0.79 1.20 0.00 0.00 173.24 176.21 2i3s n TRP 31 N -0.06 0.00 1.49 3.44 7.02 0.09 -1.55 117.44 127.86 2i3s n TRP 31 Ca -0.11 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.50 2i3s n TRP 31 Cb 0.61 -0.03 0.51 0.00 -2.42 0.00 0.00 31.31 29.99 2i3s n TRP 31 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2i3s n ASP 32 N -1.03 1.28 0.00 -0.99 3.85 -1.26 -4.36 116.55 114.04 2i3s n ASP 32 Ca 0.12 -1.52 0.00 0.00 -0.71 0.00 0.00 54.79 52.68 2i3s n ASP 32 Cb 0.07 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 2i3s n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2i3s n GLY 33 N 1.11 0.72 3.91 6.12 0.00 -0.59 -4.80 105.19 111.66 2i3s n GLY 33 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2i3s n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i3s s SER 34 N -2.36 6.42 -0.15 1.61 1.04 -1.24 0.60 113.70 119.61 2i3s s SER 34 Ca 0.00 0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.96 2i3s s SER 34 Cb 0.00 -2.06 0.02 0.00 0.10 0.00 0.00 66.02 64.08 2i3s s SER 34 CO 0.00 -0.06 -0.17 -0.22 0.98 0.00 0.00 173.24 173.77 2i3s s LEU 35 N -3.23 1.88 -0.10 2.42 2.96 0.11 -2.24 118.68 120.48 2i3s s LEU 35 Ca 0.40 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2i3s s LEU 35 Cb -0.11 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.28 2i3s s LEU 35 CO 0.28 -0.02 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.18 2i3s s THR 36 N 1.30 1.97 -0.18 3.68 2.01 -0.17 -0.04 115.64 124.21 2i3s s THR 36 Ca 0.03 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2i3s s THR 36 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2i3s s THR 36 CO -0.10 0.54 -0.01 0.68 -0.69 0.00 0.00 174.62 175.05 2i3s s VAL 37 N 0.40 4.00 0.28 3.82 -7.23 0.55 -1.62 120.40 120.60 2i3s s VAL 37 Ca -0.18 -0.30 0.11 0.00 -1.81 0.00 0.00 61.98 59.80 2i3s s VAL 37 Cb -0.18 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 2i3s s VAL 37 CO 0.08 0.45 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.89 2i3s s TYR 38 N 0.74 2.44 -0.08 2.82 1.51 -0.01 -1.46 117.35 123.31 2i3s s TYR 38 Ca -0.00 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2i3s s TYR 38 Cb -0.14 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 2i3s s TYR 38 CO 0.02 0.68 -0.15 0.21 -1.11 0.00 0.00 175.55 175.19 2i3s s LYS 39 N -3.58 2.09 0.24 -0.62 2.20 -0.22 0.32 119.74 120.17 2i3s s LYS 39 Ca 0.31 -0.54 0.11 0.00 -0.36 0.00 0.00 55.97 55.48 2i3s s LYS 39 Cb -0.05 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.54 2i3s s LYS 39 CO 0.17 0.05 -0.17 -0.59 -0.36 0.00 0.00 175.35 174.46 2i3s s PHE 40 N 0.62 2.41 -0.27 4.03 -0.12 -0.90 -0.74 117.98 123.01 2i3s s PHE 40 Ca -0.15 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 2i3s s PHE 40 Cb -0.16 -1.11 0.07 0.00 -0.63 0.00 0.00 43.02 41.19 2i3s s PHE 40 CO 0.04 0.61 -0.05 0.34 -0.05 0.00 0.00 175.22 176.11 2i3s s ASP 41 N -3.19 4.36 0.22 1.98 3.68 -0.25 -4.81 116.67 118.66 2i3s s ASP 41 Ca 0.27 -1.52 0.19 0.00 2.13 0.00 0.00 52.55 53.63 2i3s s ASP 41 Cb -0.07 -1.45 0.90 0.00 -1.45 0.00 0.00 42.92 40.86 2i3s s ASP 41 CO 0.14 -0.25 1.59 2.30 0.13 0.00 0.00 175.17 179.09 2i3s n ILE 42 N 4.47 1.04 -0.03 4.11 -6.64 -1.26 0.26 119.36 121.30 2i3s n ILE 42 Ca -0.09 0.43 -0.01 0.00 -1.77 0.00 0.00 62.75 61.30 2i3s n ILE 42 Cb 0.42 -1.36 -0.00 0.00 -1.44 0.00 0.00 39.64 37.26 2i3s n ILE 42 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 2i3s h GLN 43 N 0.00 0.00 0.00 6.28 1.08 -1.97 -3.38 115.11 117.13 2i3s h GLN 43 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i3s h GLN 43 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2i3s h GLN 43 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 2i3s n ALA 44 N -2.72 2.15 -3.65 3.87 0.00 -1.23 -4.93 120.51 114.00 2i3s n ALA 44 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2i3s n ALA 44 Cb 0.08 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.21 2i3s n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i3s n LYS 45 N -1.31 -1.26 -4.19 0.00 5.02 0.14 -5.01 118.16 111.56 2i3s n LYS 45 Ca 0.10 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.75 2i3s n LYS 45 Cb 0.19 -4.19 -0.09 0.00 -0.02 0.00 0.00 35.03 30.92 2i3s n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i3s s ASN 46 N -3.45 0.45 0.05 4.39 2.20 -1.15 -4.96 114.94 112.46 2i3s s ASN 46 Ca 0.47 -1.41 -0.01 0.00 -0.94 0.00 0.00 52.86 50.96 2i3s s ASN 46 Cb -0.16 0.45 -0.03 0.00 -2.00 0.00 0.00 41.25 39.50 2i3s s ASN 46 CO 0.85 -0.94 -0.01 0.68 -2.94 0.00 0.00 177.10 174.74 2i3s s VAL 47 N -3.95 0.20 0.00 3.54 -7.23 -1.26 -1.09 120.40 110.61 2i3s s VAL 47 Ca 0.37 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2i3s s VAL 47 Cb 0.05 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 2i3s s VAL 47 CO 0.15 -0.91 0.01 -1.81 -0.31 0.00 0.00 175.10 172.24 2i3s s ASP 48 N -2.70 0.07 -0.57 4.85 1.01 0.08 -4.96 116.67 114.44 2i3s s ASP 48 Ca 0.04 -0.15 -0.23 0.00 0.71 0.00 0.00 52.55 52.91 2i3s s ASP 48 Cb 0.05 0.07 0.05 0.00 1.01 0.00 0.00 42.92 44.10 2i3s s ASP 48 CO -0.09 -0.12 0.91 -0.22 0.21 0.00 0.00 175.17 175.86 2i3s s LEU 49 N -0.55 4.25 -0.06 1.23 0.20 -1.26 -1.06 118.68 121.42 2i3s s LEU 49 Ca -0.06 -0.53 -0.26 0.00 0.69 0.00 0.00 54.13 53.96 2i3s s LEU 49 Cb -0.04 -2.71 -0.22 0.00 -0.43 0.00 0.00 46.19 42.79 2i3s s LEU 49 CO -0.00 -1.23 1.07 -0.07 -0.29 0.00 0.00 176.35 175.82 2i3s h LEU 50 N 10.91 0.06 -7.00 -0.68 3.38 -1.59 -3.49 115.31 116.90 2i3s h LEU 50 Ca -0.27 -0.71 0.25 0.00 0.09 0.00 0.00 57.88 57.25 2i3s h LEU 50 Cb 1.08 -0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.61 2i3s h LEU 50 CO 1.09 0.76 0.82 0.00 0.09 0.00 0.00 178.44 181.20 2i3s s GLN 51 N -3.39 0.28 -0.03 1.13 -2.07 -1.12 -5.02 119.66 109.43 2i3s s GLN 51 Ca -0.17 -0.08 0.01 0.00 -1.82 0.00 0.00 55.36 53.30 2i3s s GLN 51 Cb 0.00 0.13 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2i3s s GLN 51 CO 0.70 -0.12 -0.04 -1.54 -1.32 0.00 0.00 175.29 172.97 2i3s s SER 52 N -2.00 0.76 -0.13 12.60 1.04 -1.26 -0.33 113.70 124.37 2i3s s SER 52 Ca 0.09 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.43 2i3s s SER 52 Cb -0.01 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 2i3s s SER 52 CO -0.05 -0.04 -0.17 -0.76 0.98 0.00 0.00 173.24 173.20 2i3s s LEU 53 N 0.76 2.47 -0.18 2.42 1.43 0.95 -4.93 118.68 121.59 2i3s s LEU 53 Ca -0.09 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2i3s s LEU 53 Cb -0.12 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2i3s s LEU 53 CO -0.00 0.14 -0.03 -0.60 0.23 0.00 0.00 176.35 176.09 2i3s s ARG 54 N 0.47 3.56 0.04 1.70 3.52 -1.26 0.06 118.95 127.03 2i3s s ARG 54 Ca -0.12 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2i3s s ARG 54 Cb -0.16 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2i3s s ARG 54 CO 0.05 0.06 0.19 -0.47 -0.81 0.00 0.00 175.30 174.32 2i3s s TYR 55 N 0.83 3.50 0.60 5.12 5.04 0.20 -4.95 117.35 127.69 2i3s s TYR 55 Ca -0.01 0.27 0.30 0.00 -2.44 0.00 0.00 57.07 55.19 2i3s s TYR 55 Cb -0.14 -1.77 1.69 0.00 0.35 0.00 0.00 41.96 42.08 2i3s s TYR 55 CO 0.02 0.60 2.08 1.57 -1.34 0.00 0.00 175.55 178.47 2i3s h LYS 56 N 3.37 0.00 -6.25 4.97 2.10 -1.93 -3.40 116.57 115.43 2i3s h LYS 56 Ca -0.46 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.61 2i3s h LYS 56 Cb 1.17 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.40 2i3s h LYS 56 CO 0.73 0.00 -0.65 -1.01 -2.00 0.00 0.00 179.45 176.51 2i3s s HIS 57 N -4.55 2.72 0.16 0.07 3.76 -1.26 -4.95 115.29 111.25 2i3s s HIS 57 Ca -0.04 -0.21 -0.31 0.00 -0.15 0.00 0.00 55.06 54.35 2i3s s HIS 57 Cb 0.14 -1.24 -0.10 0.00 1.11 0.00 0.00 32.58 32.50 2i3s s HIS 57 CO 0.51 0.59 1.51 -2.14 -0.85 0.00 0.00 174.74 174.36 2i3s s PRO 58 N -3.46 4.25 -0.07 8.40 0.02 -1.26 -3.96 135.00 138.91 2i3s s PRO 58 Ca 0.30 2.28 -0.19 0.00 0.02 0.00 0.00 61.00 63.41 2i3s s PRO 58 Cb -0.07 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 2i3s s PRO 58 CO 0.19 -0.55 0.53 -0.51 -0.33 0.00 0.00 177.00 176.33 2i3s s LEU 59 N 1.01 4.34 -0.02 -5.54 1.43 -1.07 -0.78 118.68 118.05 2i3s s LEU 59 Ca 0.68 0.97 0.17 0.00 -1.03 0.00 0.00 54.13 54.92 2i3s s LEU 59 Cb -0.42 -2.79 -0.26 0.00 0.03 0.00 0.00 46.19 42.75 2i3s s LEU 59 CO 0.32 0.05 0.44 0.18 0.23 0.00 0.00 176.35 177.57 2i3s n LEU 60 N 3.21 0.12 -3.82 1.79 4.77 0.48 -4.06 117.00 119.50 2i3s n LEU 60 Ca -0.07 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 2i3s n LEU 60 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2i3s n LEU 60 CO 0.43 0.03 0.66 0.00 -1.33 0.00 0.00 177.39 177.18 2i3s n ASN 63 N -0.79 0.00 -3.56 0.00 2.85 -0.78 -4.64 115.26 108.35 2i3s n ASN 63 Ca -0.05 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.31 2i3s n ASN 63 Cb 0.60 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.59 2i3s n ASN 63 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2i3s s PHE 64 N -2.07 0.52 -0.05 1.20 -0.12 -1.26 -1.35 117.98 114.84 2i3s s PHE 64 Ca 0.00 -0.90 -0.00 0.00 -0.05 0.00 0.00 56.93 55.98 2i3s s PHE 64 Cb 0.00 0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2i3s s PHE 64 CO 0.00 -1.16 -0.01 0.42 -0.05 0.00 0.00 175.22 174.42 2i3s s ILE 65 N -3.39 0.40 -0.41 -4.49 1.01 -0.41 -4.96 121.20 108.94 2i3s s ILE 65 Ca 0.23 0.03 0.10 0.00 0.00 0.00 0.00 60.65 61.01 2i3s s ILE 65 Cb -0.02 -0.50 0.42 0.00 0.01 0.00 0.00 42.46 42.38 2i3s s ILE 65 CO 0.13 0.23 1.01 -0.67 0.00 0.00 0.00 174.94 175.64 2i3s n ASP 66 N 4.58 3.31 0.01 3.58 4.64 -1.26 -1.78 116.55 129.64 2i3s n ASP 66 Ca -0.17 -3.33 -0.01 0.00 -1.38 0.00 0.00 54.79 49.90 2i3s n ASP 66 Cb 0.50 -0.51 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 2i3s n ASP 66 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2i3s h ASN 67 N 2.80 -0.08 0.00 1.67 -1.07 -1.97 -3.46 115.58 113.47 2i3s h ASN 67 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.51 2i3s h ASN 67 Cb 0.96 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 2i3s h ASN 67 CO 0.70 0.23 0.00 0.35 0.07 0.00 0.00 177.43 178.79 2i3s n THR 68 N -3.84 0.00 -1.20 6.14 -2.24 -1.26 -5.06 114.28 106.82 2i3s n THR 68 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2i3s n THR 68 Cb 0.04 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2i3s n THR 68 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2i3s n ASP 69 N 0.00 0.00 -4.47 3.42 10.43 -1.26 -5.06 116.55 119.61 2i3s n ASP 69 Ca 0.00 -0.66 -0.35 0.00 2.57 0.00 0.00 54.79 56.34 2i3s n ASP 69 Cb 0.00 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.84 2i3s n ASP 69 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2i3s s LEU 70 N 0.00 3.37 -0.18 0.64 2.96 -1.26 -4.27 118.68 119.94 2i3s s LEU 70 Ca 0.00 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2i3s s LEU 70 Cb 0.00 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.86 2i3s s LEU 70 CO 0.00 0.06 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.87 2i3s s GLN 71 N 1.00 2.22 -0.06 1.98 1.11 -0.73 -5.00 119.66 120.19 2i3s s GLN 71 Ca 0.02 -0.74 -0.03 0.00 0.01 0.00 0.00 55.36 54.63 2i3s s GLN 71 Cb -0.14 -2.31 -0.04 0.00 -1.01 0.00 0.00 33.01 29.51 2i3s s GLN 71 CO 0.02 -0.33 0.09 0.42 0.01 0.00 0.00 175.29 175.49 2i3s s ILE 72 N 1.42 4.89 0.09 1.08 1.09 -1.26 -1.29 121.20 127.22 2i3s s ILE 72 Ca 0.02 -0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.42 2i3s s ILE 72 Cb -0.15 -3.17 -0.04 0.00 -1.06 0.00 0.00 42.46 38.05 2i3s s ILE 72 CO -0.10 0.48 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.82 2i3s s TYR 73 N -1.09 1.01 0.05 3.97 1.51 -0.45 -0.99 117.35 121.36 2i3s s TYR 73 Ca 0.19 -0.67 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 2i3s s TYR 73 Cb -0.12 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2i3s s TYR 73 CO 0.09 -0.02 0.14 0.14 -1.11 0.00 0.00 175.55 174.78 2i3s s VAL 74 N -2.48 0.13 0.07 0.71 -7.23 -0.72 -1.86 120.40 109.02 2i3s s VAL 74 Ca 0.05 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.20 2i3s s VAL 74 Cb -0.03 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 2i3s s VAL 74 CO -0.00 -0.61 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.10 2i3s s GLY 75 N -2.33 1.49 0.35 2.32 0.00 -0.74 -0.30 107.32 108.11 2i3s s GLY 75 Ca -0.02 -1.30 0.08 0.00 0.00 0.00 0.00 44.72 43.48 2i3s s GLY 75 CO -0.06 -1.21 0.20 -0.51 0.00 0.00 0.00 173.10 171.52 2i3s s THR 76 N -0.90 3.03 -0.17 0.90 -4.23 -0.33 -0.38 115.64 113.55 2i3s s THR 76 Ca 0.13 -1.59 0.28 0.00 -1.18 0.00 0.00 61.69 59.33 2i3s s THR 76 Cb -0.10 -3.03 0.29 0.00 1.34 0.00 0.00 72.50 71.01 2i3s s THR 76 CO 0.04 -0.14 1.83 1.62 -0.54 0.00 0.00 174.62 177.43 2i3s h VAL 77 N 1.42 0.00 -0.12 2.29 3.04 -1.27 -1.86 116.25 119.74 2i3s h VAL 77 Ca -0.44 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2i3s h VAL 77 Cb 1.25 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2i3s h VAL 77 CO 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.18 2i3s n GLN 78 N -2.52 1.99 -0.06 4.17 1.13 -1.26 -2.36 117.38 118.45 2i3s n GLN 78 Ca 0.00 -1.46 0.00 0.00 -1.94 0.00 0.00 57.00 53.61 2i3s n GLN 78 Cb 0.19 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2i3s n GLN 78 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i3s n GLY 79 N 1.26 0.86 3.90 1.08 0.00 -0.92 -4.58 105.19 106.79 2i3s n GLY 79 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2i3s n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i3s s GLU 80 N -0.94 3.65 -0.19 1.61 2.02 -1.26 -4.59 118.70 119.01 2i3s s GLU 80 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.98 2i3s s GLU 80 Cb 0.00 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.49 2i3s s GLU 80 CO 0.00 0.36 -0.16 0.42 0.02 0.00 0.00 175.26 175.90 2i3s s ILE 81 N -1.82 2.41 -0.04 -1.63 1.01 -1.26 -1.19 121.20 118.68 2i3s s ILE 81 Ca 0.43 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2i3s s ILE 81 Cb -0.11 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2i3s s ILE 81 CO 0.26 0.51 -0.10 -0.76 0.00 0.00 0.00 174.94 174.84 2i3s s LEU 82 N 1.28 2.97 -0.11 2.97 1.43 0.59 -0.52 118.68 127.29 2i3s s LEU 82 Ca 0.04 -0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 2i3s s LEU 82 Cb -0.14 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2i3s s LEU 82 CO -0.09 0.33 0.43 -0.75 0.23 0.00 0.00 176.35 176.50 2i3s s LYS 83 N -0.95 4.28 -0.14 1.70 2.20 0.12 -1.76 119.74 125.18 2i3s s LYS 83 Ca 0.13 0.38 -0.08 0.00 -0.36 0.00 0.00 55.97 56.04 2i3s s LYS 83 Cb -0.11 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2i3s s LYS 83 CO 0.03 0.23 0.14 0.08 -0.36 0.00 0.00 175.35 175.47 2i3s s VAL 84 N 0.40 5.47 -0.30 4.02 1.01 -0.16 -1.10 120.40 129.75 2i3s s VAL 84 Ca 0.24 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2i3s s VAL 84 Cb -0.15 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.89 2i3s s VAL 84 CO 0.09 0.56 -0.00 -0.62 0.00 0.00 0.00 175.10 175.13 2i3s s ASP 85 N -0.60 4.51 -0.00 3.32 3.68 0.61 -4.43 116.67 123.75 2i3s s ASP 85 Ca 0.13 -1.78 0.09 0.00 2.13 0.00 0.00 52.55 53.12 2i3s s ASP 85 Cb -0.12 -1.49 0.27 0.00 -1.45 0.00 0.00 42.92 40.13 2i3s s ASP 85 CO 0.02 -0.31 1.22 0.00 0.13 0.00 0.00 175.17 176.23 2i3s n LEU 86 N 4.40 1.66 -0.02 -1.34 -0.00 -1.26 -4.23 117.00 116.21 2i3s n LEU 86 Ca -0.04 -0.83 -0.04 0.00 -0.00 0.00 0.00 56.01 55.10 2i3s n LEU 86 Cb 0.42 -0.21 -0.01 0.00 -0.00 0.00 0.00 43.42 43.62 2i3s n LEU 86 CO 0.20 0.41 -0.32 -0.38 -0.00 0.00 0.00 177.39 177.31 2i3s n ILE 87 N 0.40 1.15 -4.11 1.47 2.08 -1.26 -5.10 119.36 113.98 2i3s n ILE 87 Ca 0.10 0.26 -0.05 0.00 0.56 0.00 0.00 62.75 63.63 2i3s n ILE 87 Cb 0.26 -1.89 -0.01 0.00 -0.75 0.00 0.00 39.64 37.25 2i3s n ILE 87 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2i3s n GLY 88 N 2.35 4.09 3.63 7.39 0.00 -1.26 -5.12 105.19 116.27 2i3s n GLY 88 Ca -0.07 -2.21 -0.23 0.00 0.00 0.00 0.00 46.02 43.52 2i3s n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i3s s SER 89 N -1.41 4.45 0.28 1.61 1.04 -1.26 -3.84 113.70 114.56 2i3s s SER 89 Ca 0.00 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.45 2i3s s SER 89 Cb 0.00 -0.79 -0.11 0.00 0.10 0.00 0.00 66.02 65.22 2i3s s SER 89 CO 0.00 0.01 1.51 -2.84 0.98 0.00 0.00 173.24 172.90 2i3s s PRO 90 N -3.64 4.19 0.24 4.02 0.02 -1.26 -5.08 135.00 133.49 2i3s s PRO 90 Ca 0.31 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.73 2i3s s PRO 90 Cb -0.06 -3.06 0.28 0.00 0.02 0.00 0.00 34.50 31.67 2i3s s PRO 90 CO 0.19 -0.52 1.78 0.77 -0.33 0.00 0.00 177.00 178.89 2i3s h SER 91 N 4.85 0.92 -3.83 2.53 0.02 -1.79 -3.41 113.55 112.83 2i3s h SER 91 Ca -0.47 -0.17 -0.68 0.00 -0.84 0.00 0.00 61.79 59.63 2i3s h SER 91 Cb 1.22 -0.24 -0.27 0.00 0.14 0.00 0.00 62.40 63.25 2i3s h SER 91 CO 0.78 0.88 -0.81 -0.36 -1.14 0.00 0.00 176.83 176.18 2i3s s PHE 92 N -5.28 2.63 -0.18 3.45 0.40 -1.26 -0.29 117.98 117.45 2i3s s PHE 92 Ca -0.11 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 55.70 2i3s s PHE 92 Cb 0.15 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 42.06 2i3s s PHE 92 CO 0.82 -0.08 -0.02 -1.14 0.70 0.00 0.00 175.22 175.50 2i3s s GLN 93 N -0.21 1.16 0.25 0.44 0.74 -0.25 -4.93 119.66 116.85 2i3s s GLN 93 Ca -0.01 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 2i3s s GLN 93 Cb -0.13 -2.10 -0.10 0.00 1.10 0.00 0.00 33.01 31.78 2i3s s GLN 93 CO 0.03 -0.53 1.40 0.00 -0.55 0.00 0.00 175.29 175.65 2i3s s ALA 94 N 1.68 3.60 0.42 1.58 0.00 -1.26 0.12 121.76 127.90 2i3s s ALA 94 Ca -0.01 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 2i3s s ALA 94 Cb -0.16 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 2i3s s ALA 94 CO -0.07 -0.70 0.94 -0.51 0.00 0.00 0.00 175.76 175.42 2i3s s LEU 95 N -0.48 3.96 0.72 0.00 1.43 0.32 -4.90 118.68 119.74 2i3s s LEU 95 Ca 0.58 1.69 -0.06 0.00 -1.03 0.00 0.00 54.13 55.30 2i3s s LEU 95 Cb -0.41 -4.50 0.08 0.00 0.03 0.00 0.00 46.19 41.39 2i3s s LEU 95 CO 0.43 -0.34 1.02 0.42 0.23 0.00 0.00 176.35 178.12 2i3s s THR 96 N -2.15 2.26 -1.05 5.49 -4.23 0.61 -4.34 115.64 112.23 2i3s s THR 96 Ca 0.61 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2i3s s THR 96 Cb -0.10 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2i3s s THR 96 CO 0.14 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.81 2i3s n ASN 97 N -2.95 -5.17 -4.61 3.99 3.02 -1.26 -1.12 115.26 107.17 2i3s n ASN 97 Ca 0.09 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 2i3s n ASN 97 Cb 0.60 -3.54 -0.05 0.00 -0.61 0.00 0.00 39.78 36.19 2i3s n ASN 97 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2i3s s ASN 98 N -2.49 6.66 -0.11 6.41 2.47 -1.26 -4.53 114.94 122.09 2i3s s ASN 98 Ca 0.00 0.60 0.18 0.00 0.42 0.00 0.00 52.86 54.06 2i3s s ASN 98 Cb 0.00 -2.42 0.72 0.00 -1.45 0.00 0.00 41.25 38.09 2i3s s ASN 98 CO 0.00 -0.71 1.63 -0.62 -3.72 0.00 0.00 177.10 173.68 2i3s n GLU 99 N 6.41 3.71 -2.70 0.43 1.02 -1.26 -4.98 120.64 123.26 2i3s n GLU 99 Ca 0.05 -2.89 -0.40 0.00 -0.02 0.00 0.00 57.16 53.90 2i3s n GLU 99 Cb 0.48 -1.88 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2i3s n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i3s s ALA 100 N -1.83 3.34 -0.81 0.62 0.00 -1.26 -4.94 121.76 116.87 2i3s s ALA 100 Ca 0.51 0.66 0.11 0.00 0.00 0.00 0.00 51.96 53.24 2i3s s ALA 100 Cb 0.33 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2i3s s ALA 100 CO 0.25 0.13 0.58 0.09 0.00 0.00 0.00 175.76 176.81 2i3s n ASN 101 N 1.60 0.97 -4.44 0.00 3.02 -1.26 -4.81 115.26 110.34 2i3s n ASN 101 Ca -0.01 -0.99 -0.22 0.00 -0.03 0.00 0.00 54.58 53.33 2i3s n ASN 101 Cb 0.47 0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 40.22 2i3s n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2i3s s LEU 102 N -2.02 2.46 0.39 3.41 1.43 -1.26 -4.79 118.68 118.30 2i3s s LEU 102 Ca 0.07 -1.23 -0.24 0.00 -1.03 0.00 0.00 54.13 51.70 2i3s s LEU 102 Cb 0.09 -0.62 -0.13 0.00 0.03 0.00 0.00 46.19 45.56 2i3s s LEU 102 CO 0.34 -0.38 0.69 0.61 0.23 0.00 0.00 176.35 177.84 2i3s n GLY 103 N -0.62 -1.11 3.56 -3.19 0.00 -1.00 -3.64 105.19 99.19 2i3s n GLY 103 Ca -0.05 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2i3s n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i3s s ILE 104 N -1.34 4.31 -0.06 -0.61 -1.09 -0.75 -1.14 121.20 120.52 2i3s s ILE 104 Ca 0.63 0.75 0.13 0.00 -2.23 0.00 0.00 60.65 59.93 2i3s s ILE 104 Cb -0.63 -4.55 -0.11 0.00 -1.58 0.00 0.00 42.46 35.59 2i3s s ILE 104 CO 0.58 -1.03 1.11 0.00 -1.23 0.00 0.00 174.94 174.37 2i3s s ARG 106 N -2.83 0.62 -0.30 0.00 1.81 -1.18 -4.68 118.95 112.39 2i3s s ARG 106 Ca -0.00 -0.08 -0.02 0.00 -1.72 0.00 0.00 55.73 53.91 2i3s s ARG 106 Cb 0.09 0.28 0.10 0.00 -0.45 0.00 0.00 34.95 34.96 2i3s s ARG 106 CO 0.80 -0.16 0.11 0.42 -0.68 0.00 0.00 175.30 175.78 2i3s s ILE 107 N -1.08 0.49 0.12 1.52 1.01 -1.26 0.02 121.20 122.02 2i3s s ILE 107 Ca -0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 2i3s s ILE 107 Cb -0.05 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 2i3s s ILE 107 CO 0.04 -0.69 0.29 0.00 0.00 0.00 0.00 174.94 174.58 2i3s s LYS 109 N -2.85 3.52 -0.30 0.00 1.02 -1.26 -0.17 119.74 119.69 2i3s s LYS 109 Ca 0.37 1.83 -0.00 0.00 0.02 0.00 0.00 55.97 58.19 2i3s s LYS 109 Cb -0.12 -2.28 0.09 0.00 -0.52 0.00 0.00 37.83 35.01 2i3s s LYS 109 CO 0.28 -0.77 0.08 -0.47 -0.92 0.00 0.00 175.35 173.55 2i3s s TYR 110 N -1.54 1.92 0.00 3.18 6.04 0.77 -4.71 117.35 123.01 2i3s s TYR 110 Ca 0.68 -1.81 0.00 0.00 0.04 0.00 0.00 57.07 55.97 2i3s s TYR 110 Cb -0.30 -1.79 0.00 0.00 -1.04 0.00 0.00 41.96 38.83 2i3s s TYR 110 CO 0.35 -0.86 0.00 0.41 -1.54 0.00 0.00 175.55 173.91 2i3s n GLY 111 N 4.79 0.44 0.65 8.97 0.00 -1.26 -1.54 105.19 117.24 2i3s n GLY 111 Ca -0.02 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.23 2i3s n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2i3s n ASP 112 N -1.80 2.58 0.00 1.61 5.68 -1.26 -4.56 116.55 118.80 2i3s n ASP 112 Ca 0.00 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 2i3s n ASP 112 Cb 0.00 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 2i3s n ASP 112 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2i3s n ASP 113 N 0.76 0.32 -4.32 -1.12 5.75 -1.25 -4.20 116.55 112.49 2i3s n ASP 113 Ca 0.11 -1.04 -0.17 0.00 -0.01 0.00 0.00 54.79 53.68 2i3s n ASP 113 Cb 0.40 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.38 2i3s n ASP 113 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2i3s s LYS 114 N -0.04 1.33 0.08 0.11 1.02 -0.59 -4.53 119.74 117.11 2i3s s LYS 114 Ca 0.00 -1.67 0.02 0.00 0.02 0.00 0.00 55.97 54.33 2i3s s LYS 114 Cb 0.00 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 2i3s s LYS 114 CO 0.00 -0.12 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.74 2i3s s LEU 115 N -3.30 2.46 -0.08 3.17 1.43 -0.42 -0.16 118.68 121.78 2i3s s LEU 115 Ca 0.29 -0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2i3s s LEU 115 Cb 0.06 -0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.22 2i3s s LEU 115 CO 0.09 -0.42 -0.04 -0.63 0.23 0.00 0.00 176.35 175.58 2i3s s ILE 116 N -3.18 0.68 0.10 -0.59 -1.09 0.76 -0.23 121.20 117.65 2i3s s ILE 116 Ca 0.07 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 2i3s s ILE 116 Cb 0.02 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 2i3s s ILE 116 CO -0.04 0.29 0.18 0.00 -1.23 0.00 0.00 174.94 174.14 2i3s s ALA 117 N 1.50 3.81 0.06 9.38 0.00 0.15 -0.19 121.76 136.46 2i3s s ALA 117 Ca -0.01 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2i3s s ALA 117 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2i3s s ALA 117 CO -0.04 0.70 -0.12 0.00 0.00 0.00 0.00 175.76 176.30 2i3s s ALA 118 N -1.56 0.98 0.17 0.00 0.00 0.10 -0.75 121.76 120.71 2i3s s ALA 118 Ca 0.33 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.47 2i3s s ALA 118 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2i3s s ALA 118 CO 0.26 0.12 -0.16 -1.54 0.00 0.00 0.00 175.76 174.43 2i3s s SER 119 N -1.59 2.55 0.41 0.00 1.04 -0.77 -0.69 113.70 114.66 2i3s s SER 119 Ca -0.04 -0.92 0.10 0.00 0.48 0.00 0.00 55.95 55.57 2i3s s SER 119 Cb -0.10 -0.14 0.92 0.00 0.10 0.00 0.00 66.02 66.80 2i3s s SER 119 CO 0.02 -0.10 2.00 -0.50 0.98 0.00 0.00 173.24 175.64 2i3s h TRP 120 N 3.02 0.53 0.00 5.02 6.55 -1.28 -1.89 115.95 127.89 2i3s h TRP 120 Ca -0.40 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.45 2i3s h TRP 120 Cb 1.21 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 2i3s h TRP 120 CO 0.69 0.28 0.00 -0.40 -1.05 0.00 0.00 178.44 177.97 2i3s n ASP 121 N -4.47 0.17 0.00 -3.49 5.75 -1.26 -2.08 116.55 111.16 2i3s n ASP 121 Ca 0.08 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 2i3s n ASP 121 Cb 0.24 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2i3s n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i3s n GLY 122 N 0.37 0.79 3.87 6.12 0.00 -0.71 -4.81 105.19 110.81 2i3s n GLY 122 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2i3s n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i3s s LEU 123 N 0.00 4.41 -0.17 0.99 2.01 -1.25 -0.78 118.68 123.89 2i3s s LEU 123 Ca 0.00 0.64 0.01 0.00 0.01 0.00 0.00 54.13 54.79 2i3s s LEU 123 Cb 0.00 -2.34 0.03 0.00 0.01 0.00 0.00 46.19 43.89 2i3s s LEU 123 CO 0.00 0.36 -0.13 -0.63 1.01 0.00 0.00 176.35 176.96 2i3s s ILE 124 N -1.09 1.64 -0.04 -0.59 1.01 -0.56 -1.85 121.20 119.71 2i3s s ILE 124 Ca 0.20 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2i3s s ILE 124 Cb -0.14 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 2i3s s ILE 124 CO 0.09 0.34 -0.15 -1.61 0.00 0.00 0.00 174.94 173.61 2i3s s GLU 125 N 1.43 1.56 0.11 2.79 2.02 0.07 -2.68 118.70 124.00 2i3s s GLU 125 Ca 0.02 -0.51 -0.23 0.00 0.02 0.00 0.00 54.97 54.27 2i3s s GLU 125 Cb -0.14 -1.37 -0.07 0.00 0.10 0.00 0.00 34.13 32.65 2i3s s GLU 125 CO -0.10 0.19 0.71 0.08 0.02 0.00 0.00 175.26 176.16 2i3s s VAL 126 N 0.13 4.56 -0.27 2.63 1.01 -0.27 -0.68 120.40 127.50 2i3s s VAL 126 Ca -0.04 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.48 2i3s s VAL 126 Cb -0.11 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.26 2i3s s VAL 126 CO 0.02 0.50 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 2i3s s ILE 127 N -0.89 2.57 -0.51 2.22 1.01 0.68 -2.19 121.20 124.08 2i3s s ILE 127 Ca 0.34 -1.46 0.04 0.00 0.00 0.00 0.00 60.65 59.57 2i3s s ILE 127 Cb -0.21 -2.46 0.16 0.00 0.01 0.00 0.00 42.46 39.95 2i3s s ILE 127 CO 0.23 -0.03 0.37 -0.62 0.00 0.00 0.00 174.94 174.90 2i3s s ASP 128 N 1.19 3.06 0.22 3.58 -1.08 -1.26 -1.31 116.67 121.06 2i3s s ASP 128 Ca -0.06 -3.22 -0.12 0.00 -0.52 0.00 0.00 52.55 48.63 2i3s s ASP 128 Cb -0.19 -0.96 0.27 0.00 -1.46 0.00 0.00 42.92 40.58 2i3s s ASP 128 CO -0.04 -0.16 1.63 -0.65 0.52 0.00 0.00 175.17 176.47 2i3s h PRO 129 N 5.81 0.03 -0.37 4.34 0.11 -1.92 -2.02 132.00 138.00 2i3s h PRO 129 Ca 0.17 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.35 2i3s h PRO 129 Cb 0.86 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 2i3s h PRO 129 CO 0.51 0.02 -0.06 0.00 -0.21 0.00 0.00 178.00 178.26 2i3s h ARG 130 N 0.03 0.03 0.00 1.05 3.08 -1.95 -1.76 114.38 114.86 2i3s h ARG 130 Ca 0.32 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.29 2i3s h ARG 130 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2i3s h ARG 130 CO -0.63 0.02 -0.36 -0.91 -1.07 0.00 0.00 179.97 177.02 2i3s h ASN 131 N 0.03 0.00 0.00 7.04 2.35 -1.91 -3.44 115.58 119.65 2i3s h ASN 131 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2i3s h ASN 131 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2i3s h ASN 131 CO -0.35 0.36 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 2i3s n TYR 132 N -3.22 -2.50 0.00 1.19 9.36 -0.79 -5.05 117.16 116.15 2i3s n TYR 132 Ca 0.02 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.76 2i3s n TYR 132 Cb 0.65 0.93 0.00 0.00 -0.63 0.00 0.00 39.34 40.30 2i3s n TYR 132 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2i3s n GLY 133 N 1.16 2.73 0.20 2.98 0.00 -0.68 -4.70 105.19 106.88 2i3s n GLY 133 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2i3s n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i3s n ASP 134 N 0.00 1.20 -3.32 1.61 10.43 -1.26 -4.93 116.55 120.28 2i3s n ASP 134 Ca 0.00 -1.10 -0.09 0.00 2.57 0.00 0.00 54.79 56.17 2i3s n ASP 134 Cb 0.00 0.32 -0.00 0.00 1.84 0.00 0.00 41.12 43.27 2i3s n ASP 134 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2i3s s GLY 135 N -0.93 0.35 0.00 0.44 0.00 -1.26 -0.29 107.32 105.63 2i3s s GLY 135 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2i3s s GLY 135 CO 0.15 -0.33 0.00 3.33 0.00 0.00 0.00 173.10 176.25 2i3s n VAL 136 N -0.50 0.00 -3.15 1.40 0.24 -0.27 -4.60 118.33 111.45 2i3s n VAL 136 Ca -0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.29 2i3s n VAL 136 Cb 0.60 -0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.86 2i3s n VAL 136 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2i3s s ILE 137 N 2.62 -0.80 -1.06 1.34 -1.09 -0.93 -4.89 121.20 116.38 2i3s s ILE 137 Ca 0.00 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.24 2i3s s ILE 137 Cb 0.00 -0.96 -0.08 0.00 -1.58 0.00 0.00 42.46 39.84 2i3s s ILE 137 CO 0.00 0.00 2.07 0.00 -1.23 0.00 0.00 174.94 175.78 2i3s n ALA 138 N 5.42 4.32 0.04 9.38 0.00 -1.26 -1.12 120.51 137.30 2i3s n ALA 138 Ca -0.01 -3.50 0.07 0.00 0.00 0.00 0.00 53.44 50.00 2i3s n ALA 138 Cb 0.52 -3.57 0.49 0.00 0.00 0.00 0.00 19.45 16.89 2i3s n ALA 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i3s h VAL 139 N 4.22 1.04 -3.68 0.00 2.07 -1.92 -3.44 116.25 114.54 2i3s h VAL 139 Ca 0.49 -0.14 -0.16 0.00 0.82 0.00 0.00 66.70 67.72 2i3s h VAL 139 Cb 0.63 0.60 -0.21 0.00 -1.52 0.00 0.00 31.29 30.79 2i3s h VAL 139 CO 1.91 0.07 -0.58 -0.54 0.02 0.00 0.00 177.57 178.46 2i3s s LYS 140 N -5.38 0.40 -0.18 1.57 -0.14 -1.09 -4.88 119.74 110.04 2i3s s LYS 140 Ca -0.07 -0.44 -0.05 0.00 -1.36 0.00 0.00 55.97 54.05 2i3s s LYS 140 Cb 0.18 0.16 0.06 0.00 -1.68 0.00 0.00 37.83 36.55 2i3s s LYS 140 CO 0.72 -0.08 0.08 1.21 -0.76 0.00 0.00 175.35 176.52 2i3s s ASN 141 N -1.31 2.47 0.09 2.83 2.47 -1.26 -1.50 114.94 118.73 2i3s s ASN 141 Ca -0.14 -0.66 0.07 0.00 0.42 0.00 0.00 52.86 52.54 2i3s s ASN 141 Cb -0.08 -0.31 0.35 0.00 -1.45 0.00 0.00 41.25 39.76 2i3s s ASN 141 CO 0.01 -0.34 1.21 0.18 -3.72 0.00 0.00 177.10 174.43 2i3s n LEU 142 N 5.23 0.16 -2.68 3.21 4.77 0.04 -2.50 117.00 125.23 2i3s n LEU 142 Ca -0.07 0.57 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 2i3s n LEU 142 Cb 0.49 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2i3s n LEU 142 CO 0.11 -0.60 0.19 0.59 -1.33 0.00 0.00 177.39 176.35 2i3s n ASN 143 N -1.71 4.66 0.34 -1.43 3.02 -1.26 -4.81 115.26 114.07 2i3s n ASN 143 Ca -0.00 -3.71 -0.14 0.00 -0.03 0.00 0.00 54.58 50.70 2i3s n ASN 143 Cb 0.02 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 2i3s n ASN 143 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2i3s h SER 144 N 2.76 -0.76 0.00 6.41 4.64 -1.90 -3.41 113.55 121.30 2i3s h SER 144 Ca 0.23 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2i3s h SER 144 Cb 0.74 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2i3s h SER 144 CO 0.84 -0.43 0.00 -0.46 -0.87 0.00 0.00 176.83 175.92 2i3s n ASN 145 N -5.03 0.00 -4.58 4.97 6.94 -1.26 -4.56 115.26 111.74 2i3s n ASN 145 Ca -0.11 0.04 -0.49 0.00 -0.02 0.00 0.00 54.58 53.99 2i3s n ASN 145 Cb 0.35 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 2i3s n ASN 145 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2i3s n ASN 146 N -0.04 2.80 -3.78 0.53 4.05 -1.26 -4.84 115.26 112.72 2i3s n ASN 146 Ca 0.00 0.63 -0.42 0.00 0.45 0.00 0.00 54.58 55.24 2i3s n ASN 146 Cb 0.00 -1.34 0.00 0.00 1.23 0.00 0.00 39.78 39.68 2i3s n ASN 146 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2i3s n THR 147 N 6.34 4.08 0.00 -0.44 -1.04 -1.26 -4.73 114.28 117.23 2i3s n THR 147 Ca 0.32 -3.86 0.00 0.00 -2.04 0.00 0.00 64.05 58.47 2i3s n THR 147 Cb 0.28 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.35 2i3s n THR 147 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2i3s n LYS 148 N 4.52 0.00 0.00 -2.82 4.76 -1.26 -5.13 118.16 118.23 2i3s n LYS 148 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2i3s n LYS 148 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2i3s n LYS 148 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2i3s n VAL 149 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -4.98 118.33 112.22 2i3s n VAL 149 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2i3s n VAL 149 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2i3s n VAL 149 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2i3s n LYS 150 N -1.47 0.00 -3.42 5.55 3.00 -1.26 -4.64 118.16 115.92 2i3s n LYS 150 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 2i3s n LYS 150 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 2i3s n LYS 150 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2i3s s ASN 151 N -2.91 6.32 0.24 3.14 0.01 -1.26 -4.94 114.94 115.53 2i3s s ASN 151 Ca 0.00 0.37 0.11 0.00 -0.71 0.00 0.00 52.86 52.63 2i3s s ASN 151 Cb 0.00 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 2i3s s ASN 151 CO 0.00 -0.11 -0.22 -0.54 -1.51 0.00 0.00 177.10 174.73 2i3s s LYS 152 N 1.62 1.58 -0.22 -0.60 1.02 -1.26 -4.06 119.74 117.82 2i3s s LYS 152 Ca 0.16 -1.64 -0.05 0.00 0.02 0.00 0.00 55.97 54.46 2i3s s LYS 152 Cb -0.15 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 2i3s s LYS 152 CO 0.08 0.35 -0.02 0.42 -0.92 0.00 0.00 175.35 175.27 2i3s s ILE 153 N -2.14 3.63 -0.08 2.17 1.01 -0.88 -2.36 121.20 122.55 2i3s s ILE 153 Ca 0.25 -0.41 0.17 0.00 0.00 0.00 0.00 60.65 60.67 2i3s s ILE 153 Cb -0.06 -2.66 -0.26 0.00 0.01 0.00 0.00 42.46 39.49 2i3s s ILE 153 CO 0.12 0.41 0.27 0.49 0.00 0.00 0.00 174.94 176.23 2i3s n PHE 154 N 4.74 0.00 -3.49 3.97 0.99 -0.09 -4.08 117.46 119.50 2i3s n PHE 154 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.17 2i3s n PHE 154 Cb 0.51 -0.59 -0.02 0.00 -1.00 0.00 0.00 39.48 38.38 2i3s n PHE 154 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2i3s s THR 155 N -2.94 0.00 -0.02 4.37 -1.32 -1.19 -4.95 115.64 109.58 2i3s s THR 155 Ca -0.07 -0.12 -0.27 0.00 -1.21 0.00 0.00 61.69 60.02 2i3s s THR 155 Cb 0.09 -1.13 0.06 0.00 -1.51 0.00 0.00 72.50 70.01 2i3s s THR 155 CO 0.75 0.00 0.59 -0.32 -2.21 0.00 0.00 174.62 173.42 2i3s s MET 156 N -3.59 0.99 0.07 7.08 1.75 -1.26 0.59 119.30 124.92 2i3s s MET 156 Ca 0.03 0.09 -0.08 0.00 -1.25 0.00 0.00 55.69 54.48 2i3s s MET 156 Cb -0.01 0.46 -0.00 0.00 2.84 0.00 0.00 34.83 38.11 2i3s s MET 156 CO -0.10 -0.31 0.17 0.34 -0.65 0.00 0.00 175.02 174.47 2i3s s ASP 157 N -1.36 0.13 0.05 1.11 2.15 -0.18 -4.91 116.67 113.66 2i3s s ASP 157 Ca -0.10 -0.58 -0.07 0.00 0.43 0.00 0.00 52.55 52.23 2i3s s ASP 157 Cb -0.01 0.30 -0.01 0.00 -0.30 0.00 0.00 42.92 42.91 2i3s s ASP 157 CO 0.07 -0.65 0.14 0.42 -0.17 0.00 0.00 175.17 174.98 2i3s s THR 158 N -3.36 0.14 0.19 1.71 -4.23 -1.26 -1.25 115.64 107.57 2i3s s THR 158 Ca 0.01 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2i3s s THR 158 Cb 0.03 -1.08 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2i3s s THR 158 CO -0.08 -0.63 0.19 -0.46 -0.54 0.00 0.00 174.62 173.10 2i3s n ASN 159 N 0.45 -0.48 -0.35 3.99 0.23 -0.43 -4.96 115.26 113.70 2i3s n ASN 159 Ca -0.17 -2.22 0.23 0.00 -0.53 0.00 0.00 54.58 51.88 2i3s n ASN 159 Cb 0.60 1.06 0.48 0.00 -2.08 0.00 0.00 39.78 39.84 2i3s n ASN 159 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2i3s h SER 160 N 1.17 0.51 0.00 0.53 4.64 -1.97 -3.08 113.55 115.34 2i3s h SER 160 Ca -0.14 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2i3s h SER 160 Cb 0.69 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2i3s h SER 160 CO 0.20 0.01 -0.12 -1.54 -0.87 0.00 0.00 176.83 174.52 2i3s n SER 161 N -4.80 1.37 -3.75 4.97 3.41 -1.26 -4.43 113.62 109.12 2i3s n SER 161 Ca 0.29 -2.26 -0.13 0.00 -0.26 0.00 0.00 58.87 56.51 2i3s n SER 161 Cb 0.93 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.59 2i3s n SER 161 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2i3s s ARG 162 N -1.32 0.72 -0.05 4.33 0.52 -1.17 -1.94 118.95 120.05 2i3s s ARG 162 Ca 0.12 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2i3s s ARG 162 Cb 0.10 0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.92 2i3s s ARG 162 CO 0.01 -0.21 -0.04 -1.17 0.02 0.00 0.00 175.30 173.91 2i3s s LEU 163 N -1.57 1.26 -0.01 2.53 0.20 0.05 -1.32 118.68 119.82 2i3s s LEU 163 Ca -0.11 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.59 2i3s s LEU 163 Cb -0.04 -0.45 0.01 0.00 -0.43 0.00 0.00 46.19 45.29 2i3s s LEU 163 CO 0.02 -0.07 -0.01 -0.51 -0.29 0.00 0.00 176.35 175.49 2i3s s ILE 164 N 1.02 0.17 0.04 6.68 2.07 -0.38 -0.38 121.20 130.42 2i3s s ILE 164 Ca -0.09 -0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.22 2i3s s ILE 164 Cb -0.14 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 2i3s s ILE 164 CO -0.01 0.09 -0.23 0.68 -1.91 0.00 0.00 174.94 173.57 2i3s s VAL 165 N 0.46 2.42 -0.10 4.00 -7.23 -0.58 -1.01 120.40 118.36 2i3s s VAL 165 Ca -0.04 -1.30 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 2i3s s VAL 165 Cb -0.07 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2i3s s VAL 165 CO -0.01 0.36 0.48 -0.83 -0.31 0.00 0.00 175.10 174.79 2i3s s GLY 166 N -1.31 2.42 0.48 2.32 0.00 0.20 -2.26 107.32 109.16 2i3s s GLY 166 Ca 0.13 -0.18 0.06 0.00 0.00 0.00 0.00 44.72 44.74 2i3s s GLY 166 CO 0.03 0.71 0.34 1.06 0.00 0.00 0.00 173.10 175.25 2i3s s MET 167 N 0.41 2.32 1.20 2.90 -1.94 0.21 -0.91 119.30 123.50 2i3s s MET 167 Ca 0.26 -1.86 -0.19 0.00 -1.71 0.00 0.00 55.69 52.19 2i3s s MET 167 Cb -0.15 -2.14 0.30 0.00 2.01 0.00 0.00 34.83 34.85 2i3s s MET 167 CO 0.11 -0.39 0.69 0.27 -0.01 0.00 0.00 175.02 175.68 2i3s n ASN 168 N -1.58 -3.73 -1.29 3.03 6.94 -0.99 -3.61 115.26 114.03 2i3s n ASN 168 Ca -0.00 -0.69 -0.17 0.00 -0.02 0.00 0.00 54.58 53.70 2i3s n ASN 168 Cb 0.64 -0.82 -0.07 0.00 -2.36 0.00 0.00 39.78 37.16 2i3s n ASN 168 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2i3s n ASN 169 N -4.80 -5.46 -3.98 0.53 3.02 -1.26 -3.63 115.26 99.69 2i3s n ASN 169 Ca 0.11 0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 54.75 2i3s n ASN 169 Cb 0.48 -4.51 -0.00 0.00 -0.61 0.00 0.00 39.78 35.13 2i3s n ASN 169 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2i3s n SER 170 N -1.24 -3.94 -4.05 6.41 2.88 -1.24 -4.93 113.62 107.51 2i3s n SER 170 Ca -0.17 -0.83 -0.09 0.00 -1.33 0.00 0.00 58.87 56.46 2i3s n SER 170 Cb 0.64 -3.19 -0.11 0.00 -0.75 0.00 0.00 64.21 60.80 2i3s n SER 170 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i3s s GLN 171 N -6.68 0.50 0.33 -1.46 -2.07 -1.24 -3.26 119.66 105.78 2i3s s GLN 171 Ca 0.67 -0.91 0.09 0.00 -1.82 0.00 0.00 55.36 53.39 2i3s s GLN 171 Cb -0.35 0.04 -0.05 0.00 -1.09 0.00 0.00 33.01 31.56 2i3s s GLN 171 CO 0.82 -0.05 -0.01 0.14 -1.32 0.00 0.00 175.29 174.87 2i3s s VAL 172 N -2.46 2.66 -0.05 3.63 -7.23 -0.46 -0.62 120.40 115.86 2i3s s VAL 172 Ca -0.05 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 2i3s s VAL 172 Cb -0.03 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.18 2i3s s VAL 172 CO -0.04 -0.23 0.14 -1.58 -0.31 0.00 0.00 175.10 173.08 2i3s s GLN 173 N -3.69 0.16 0.15 4.82 0.74 -0.96 -0.64 119.66 120.25 2i3s s GLN 173 Ca 0.34 0.21 0.05 0.00 0.05 0.00 0.00 55.36 56.01 2i3s s GLN 173 Cb -0.01 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 2i3s s GLN 173 CO 0.19 -0.03 -0.12 1.67 -0.55 0.00 0.00 175.29 176.46 2i3s s TRP 174 N 0.13 1.35 0.09 1.67 1.48 -0.06 -1.53 118.94 122.07 2i3s s TRP 174 Ca -0.00 -0.68 0.03 0.00 -1.06 0.00 0.00 56.10 54.38 2i3s s TRP 174 Cb -0.02 -0.68 -0.03 0.00 -1.16 0.00 0.00 33.47 31.58 2i3s s TRP 174 CO -0.00 0.13 -0.09 -0.06 -4.06 0.00 0.00 176.95 172.87 2i3s s PHE 175 N -2.99 0.98 0.36 1.66 0.40 0.49 0.14 117.98 119.02 2i3s s PHE 175 Ca 0.15 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 2i3s s PHE 175 Cb 0.00 -0.54 -0.07 0.00 0.51 0.00 0.00 43.02 42.91 2i3s s PHE 175 CO 0.02 -0.04 0.74 -0.98 0.70 0.00 0.00 175.22 175.66 2i3s s ARG 176 N -2.77 3.85 -0.01 0.44 1.70 -1.26 -0.77 118.95 120.14 2i3s s ARG 176 Ca 0.04 0.52 0.05 0.00 -0.47 0.00 0.00 55.73 55.86 2i3s s ARG 176 Cb -0.03 -2.42 -0.01 0.00 -0.57 0.00 0.00 34.95 31.92 2i3s s ARG 176 CO -0.01 0.06 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.61 2i3s s LEU 177 N -3.49 2.04 0.67 -1.89 1.43 -0.82 -3.65 118.68 112.98 2i3s s LEU 177 Ca 0.52 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 2i3s s LEU 177 Cb -0.10 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2i3s s LEU 177 CO 0.26 0.17 0.94 -2.65 0.23 0.00 0.00 176.35 175.29 2i3s n PRO 178 N 2.65 0.65 -1.17 1.29 -0.02 -1.26 -4.17 135.00 132.97 2i3s n PRO 178 Ca -0.15 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.28 2i3s n PRO 178 Cb 0.55 -2.18 0.11 0.00 -0.02 0.00 0.00 33.50 31.96 2i3s n PRO 178 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2i3s s LEU 179 N -2.51 3.09 -0.21 2.45 1.43 -1.24 -5.06 118.68 116.63 2i3s s LEU 179 Ca 0.74 2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 55.90 2i3s s LEU 179 Cb -0.37 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.38 2i3s s LEU 179 CO 0.49 -2.43 0.44 0.00 0.23 0.00 0.00 176.35 175.08 2i3s h GLU 181 N 8.14 0.00 0.18 0.00 -0.00 -1.97 0.38 114.58 121.32 2i3s h GLU 181 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 58.88 2i3s h GLU 181 Cb 1.11 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.87 2i3s h GLU 181 CO 0.12 0.00 -1.51 0.38 -0.00 0.00 0.00 179.01 178.00 2i3s h ASP 182 N 0.00 0.61 -1.93 3.06 2.03 -1.97 -3.46 116.42 114.76 2i3s h ASP 182 Ca 0.00 -0.74 -0.64 0.00 -0.73 0.00 0.00 57.03 54.92 2i3s h ASP 182 Cb 1.52 -0.20 0.04 0.00 -0.83 0.00 0.00 39.33 39.87 2i3s h ASP 182 CO 0.00 1.60 0.73 -0.67 -1.03 0.00 0.00 179.24 179.87 2i3s n ASP 183 N -3.59 2.53 -1.03 4.15 4.64 0.12 -4.88 116.55 118.49 2i3s n ASP 183 Ca -0.17 1.08 0.10 0.00 -1.38 0.00 0.00 54.79 54.42 2i3s n ASP 183 Cb 1.07 -1.30 0.19 0.00 -1.04 0.00 0.00 41.12 40.05 2i3s n ASP 183 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2i3s n ASN 184 N 3.83 3.28 -0.31 1.67 4.13 -1.26 -4.97 115.26 121.62 2i3s n ASN 184 Ca 0.20 -1.94 0.00 0.00 1.68 0.00 0.00 54.58 54.52 2i3s n ASN 184 Cb 0.23 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2i3s n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i3s n GLY 185 N 1.30 -3.16 3.07 7.41 0.00 -1.26 -4.97 105.19 107.58 2i3s n GLY 185 Ca 0.17 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 2i3s n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i3s s THR 186 N -3.42 1.84 0.21 2.61 2.01 0.12 -4.88 115.64 114.14 2i3s s THR 186 Ca 0.00 -0.81 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 2i3s s THR 186 Cb 0.00 -1.69 -0.08 0.00 0.01 0.00 0.00 72.50 70.73 2i3s s THR 186 CO 0.00 0.49 0.81 -0.63 -0.69 0.00 0.00 174.62 174.61 2i3s s ILE 187 N 1.38 4.35 0.10 1.82 1.01 -1.26 -0.88 121.20 127.72 2i3s s ILE 187 Ca 0.05 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.26 2i3s s ILE 187 Cb -0.13 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.27 2i3s s ILE 187 CO -0.12 0.39 0.29 -1.61 0.00 0.00 0.00 174.94 173.89 2i3s s GLU 188 N -1.47 0.93 0.54 2.79 2.02 0.19 -4.97 118.70 118.73 2i3s s GLU 188 Ca 0.40 -0.81 -0.21 0.00 0.02 0.00 0.00 54.97 54.37 2i3s s GLU 188 Cb -0.21 0.39 -0.05 0.00 0.10 0.00 0.00 34.13 34.36 2i3s s GLU 188 CO 0.25 -0.33 1.23 -1.21 0.02 0.00 0.00 175.26 175.23 2i3s s GLU 189 N -3.70 3.26 0.20 1.61 2.02 -1.26 -1.36 118.70 119.47 2i3s s GLU 189 Ca 0.03 1.90 0.23 0.00 0.02 0.00 0.00 54.97 57.15 2i3s s GLU 189 Cb 0.03 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 32.13 2i3s s GLU 189 CO -0.11 -0.99 1.07 0.66 0.02 0.00 0.00 175.26 175.91 2i3s h SER 190 N 1.39 0.00 0.00 -0.19 4.64 -1.89 -3.43 113.55 114.07 2i3s h SER 190 Ca -0.50 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2i3s h SER 190 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2i3s h SER 190 CO 0.57 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 2i3s n GLY 191 N 1.19 0.70 3.34 -0.77 0.00 -1.26 -4.71 105.19 103.68 2i3s n GLY 191 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2i3s n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i3s s LEU 192 N 0.00 2.27 0.09 0.99 1.43 -1.26 -4.88 118.68 117.31 2i3s s LEU 192 Ca 0.00 -0.68 0.18 0.00 -1.03 0.00 0.00 54.13 52.60 2i3s s LEU 192 Cb 0.00 -1.13 -0.11 0.00 0.03 0.00 0.00 46.19 44.98 2i3s s LEU 192 CO 0.00 0.17 0.87 0.29 0.23 0.00 0.00 176.35 177.90 2i3s n LYS 193 N 1.24 0.62 -3.43 1.70 4.01 -1.26 -4.91 118.16 116.13 2i3s n LYS 193 Ca -0.18 0.20 -0.20 0.00 -0.51 0.00 0.00 58.31 57.62 2i3s n LYS 193 Cb 0.53 -1.81 -0.02 0.00 -0.51 0.00 0.00 35.03 33.22 2i3s n LYS 193 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2i3s s TYR 194 N -3.02 2.70 0.20 2.13 4.12 -1.26 -4.93 117.35 117.28 2i3s s TYR 194 Ca -0.02 -0.48 -0.30 0.00 0.02 0.00 0.00 57.07 56.28 2i3s s TYR 194 Cb 0.09 -2.22 -0.16 0.00 -1.52 0.00 0.00 41.96 38.15 2i3s s TYR 194 CO 0.81 -0.21 0.91 0.94 0.02 0.00 0.00 175.55 178.02 2i3s n GLN 195 N -1.63 0.76 -2.76 -0.62 7.27 -1.26 -4.70 117.38 114.44 2i3s n GLN 195 Ca 0.05 0.27 -0.40 0.00 0.07 0.00 0.00 57.00 56.98 2i3s n GLN 195 Cb 0.61 -1.57 -0.06 0.00 2.41 0.00 0.00 30.24 31.63 2i3s n GLN 195 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2i3s s ILE 196 N -0.69 4.19 -0.24 1.69 -1.09 -1.26 -2.44 121.20 121.37 2i3s s ILE 196 Ca 0.67 2.05 -0.14 0.00 -2.23 0.00 0.00 60.65 61.01 2i3s s ILE 196 Cb -0.86 -4.31 -0.10 0.00 -1.58 0.00 0.00 42.46 35.60 2i3s s ILE 196 CO 0.56 0.46 -0.33 0.54 -1.23 0.00 0.00 174.94 174.94 2i3s n ARG 197 N 1.80 0.54 -4.06 2.79 5.12 0.18 -4.89 116.66 118.13 2i3s n ARG 197 Ca -0.01 0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 56.04 2i3s n ARG 197 Cb 0.48 -1.41 -0.09 0.00 -1.16 0.00 0.00 32.46 30.28 2i3s n ARG 197 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2i3s s ASP 198 N -7.00 0.18 0.02 0.55 2.15 -1.21 -4.73 116.67 106.64 2i3s s ASP 198 Ca -0.34 -1.06 -0.02 0.00 0.43 0.00 0.00 52.55 51.56 2i3s s ASP 198 Cb 0.12 0.37 -0.02 0.00 -0.30 0.00 0.00 42.92 43.09 2i3s s ASP 198 CO 0.44 -0.81 0.02 0.54 -0.17 0.00 0.00 175.17 175.19 2i3s s VAL 199 N -4.01 0.12 -0.22 1.11 0.11 -1.26 -1.32 120.40 114.91 2i3s s VAL 199 Ca 0.21 -0.95 -0.14 0.00 -2.93 0.00 0.00 61.98 58.17 2i3s s VAL 199 Cb 0.05 -0.47 0.07 0.00 -1.53 0.00 0.00 36.38 34.51 2i3s s VAL 199 CO 0.01 -0.52 0.56 0.00 -3.33 0.00 0.00 175.10 171.82 2i3s s ALA 200 N -1.76 -1.46 0.23 1.54 0.00 -0.42 -4.63 121.76 115.26 2i3s s ALA 200 Ca -0.13 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 2i3s s ALA 200 Cb -0.07 -1.13 -0.09 0.00 0.00 0.00 0.00 23.12 21.83 2i3s s ALA 200 CO -0.01 -0.31 1.12 -0.51 0.00 0.00 0.00 175.76 176.04 2i3s s LEU 201 N 1.26 4.51 0.76 0.00 1.43 -1.26 -0.39 118.68 124.98 2i3s s LEU 201 Ca -0.08 2.21 -0.14 0.00 -1.03 0.00 0.00 54.13 55.09 2i3s s LEU 201 Cb -0.06 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.60 2i3s s LEU 201 CO -0.13 -0.21 1.21 -0.76 0.23 0.00 0.00 176.35 176.69 2i3s s LEU 202 N -0.89 3.26 -0.72 1.79 1.43 -0.44 -4.72 118.68 118.39 2i3s s LEU 202 Ca 0.47 2.35 -0.31 0.00 -1.03 0.00 0.00 54.13 55.62 2i3s s LEU 202 Cb -0.31 -4.59 -0.16 0.00 0.03 0.00 0.00 46.19 41.16 2i3s s LEU 202 CO 0.38 -2.39 2.51 -2.65 0.23 0.00 0.00 176.35 174.44 2i3s n PRO 203 N -2.92 0.48 0.00 1.29 -0.02 -1.26 -4.71 135.00 127.86 2i3s n PRO 203 Ca 0.13 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2i3s n PRO 203 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2i3s n PRO 203 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2i3s n LYS 204 N 8.57 0.00 -0.50 -0.52 3.00 -1.26 -1.69 118.16 125.76 2i3s n LYS 204 Ca 0.53 0.00 0.40 0.00 -0.00 0.00 0.00 58.31 59.23 2i3s n LYS 204 Cb 0.22 0.00 0.64 0.00 0.00 0.00 0.00 35.03 35.89 2i3s n LYS 204 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2i3s n GLU 205 N 0.00 -0.02 0.00 1.64 4.71 -1.26 -0.40 120.64 125.31 2i3s n GLU 205 Ca 0.00 1.02 0.06 0.00 -0.01 0.00 0.00 57.16 58.23 2i3s n GLU 205 Cb 0.00 -2.14 0.28 0.00 -1.01 0.00 0.00 31.44 28.57 2i3s n GLU 205 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2i3s n GLN 206 N -4.10 0.14 -2.72 3.49 6.02 -0.68 -4.93 117.38 114.60 2i3s n GLN 206 Ca 0.36 0.20 -0.21 0.00 -0.01 0.00 0.00 57.00 57.34 2i3s n GLN 206 Cb 1.52 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 31.30 2i3s n GLN 206 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2i3s n GLU 207 N -1.32 -1.06 -2.05 -1.09 -0.58 0.47 -4.91 120.64 110.10 2i3s n GLU 207 Ca 0.05 0.70 -0.00 0.00 -0.42 0.00 0.00 57.16 57.49 2i3s n GLU 207 Cb 0.10 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2i3s n GLU 207 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i3s n GLY 208 N -0.44 0.97 3.35 0.62 0.00 -1.26 -2.98 105.19 105.44 2i3s n GLY 208 Ca -0.10 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2i3s n GLY 208 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2i3s s TYR 209 N -4.46 -0.33 -0.04 1.61 -0.85 0.26 -1.32 117.35 112.22 2i3s s TYR 209 Ca 0.05 0.10 0.05 0.00 -0.52 0.00 0.00 57.07 56.76 2i3s s TYR 209 Cb -0.00 0.35 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 2i3s s TYR 209 CO 0.01 -0.73 -0.21 0.00 -1.52 0.00 0.00 175.55 173.10 2i3s s ALA 210 N -3.55 1.78 -0.10 9.51 0.00 0.47 -0.57 121.76 129.31 2i3s s ALA 210 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2i3s s ALA 210 Cb 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2i3s s ALA 210 CO -0.11 0.36 -0.18 0.00 0.00 0.00 0.00 175.76 175.83 2i3s s SER 212 N 0.64 6.36 0.44 0.00 1.04 -0.44 -0.54 113.70 121.21 2i3s s SER 212 Ca -0.13 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.57 2i3s s SER 212 Cb -0.16 -1.96 -0.00 0.00 0.10 0.00 0.00 66.02 64.00 2i3s s SER 212 CO 0.04 0.14 0.03 -1.54 0.98 0.00 0.00 173.24 172.89 2i3s n SER 213 N 0.11 2.82 -0.13 7.02 3.41 -0.70 0.48 113.62 126.63 2i3s n SER 213 Ca -0.05 -3.01 0.15 0.00 -0.26 0.00 0.00 58.87 55.69 2i3s n SER 213 Cb 0.52 0.46 0.71 0.00 -0.26 0.00 0.00 64.21 65.64 2i3s n SER 213 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2i3s n ILE 214 N -1.08 0.00 -2.69 -1.33 -5.35 -1.02 -0.94 119.36 106.95 2i3s n ILE 214 Ca -0.16 -0.07 -0.26 0.00 -0.27 0.00 0.00 62.75 61.99 2i3s n ILE 214 Cb 0.58 -0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 38.31 2i3s n ILE 214 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2i3s n ASP 215 N -0.80 4.38 -3.72 7.28 5.75 -1.26 -3.35 116.55 124.84 2i3s n ASP 215 Ca 0.18 -3.65 -0.33 0.00 -0.01 0.00 0.00 54.79 50.98 2i3s n ASP 215 Cb 0.24 -0.51 0.04 0.00 -1.03 0.00 0.00 41.12 39.86 2i3s n ASP 215 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i3s n GLY 216 N -0.35 -0.99 3.43 6.12 0.00 0.85 -4.78 105.19 109.48 2i3s n GLY 216 Ca 0.34 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.69 2i3s n GLY 216 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i3s s ARG 217 N -6.10 1.21 -0.03 1.61 1.70 -1.26 -2.91 118.95 113.17 2i3s s ARG 217 Ca 0.47 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 55.32 2i3s s ARG 217 Cb -0.18 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 2i3s s ARG 217 CO 0.87 -0.52 -0.04 0.08 -1.08 0.00 0.00 175.30 174.60 2i3s s VAL 218 N -3.58 0.48 -0.07 4.99 1.01 -0.41 -1.71 120.40 121.10 2i3s s VAL 218 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2i3s s VAL 218 Cb -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2i3s s VAL 218 CO -0.12 0.19 -0.16 0.00 0.00 0.00 0.00 175.10 175.01 2i3s s ALA 219 N 0.68 2.54 -0.18 5.51 0.00 0.30 -1.57 121.76 129.03 2i3s s ALA 219 Ca -0.09 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2i3s s ALA 219 Cb -0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2i3s s ALA 219 CO -0.00 0.46 -0.09 0.08 0.00 0.00 0.00 175.76 176.20 2i3s s VAL 220 N -0.37 3.10 0.30 0.00 1.01 0.15 -0.56 120.40 124.03 2i3s s VAL 220 Ca 0.03 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.51 2i3s s VAL 220 Cb -0.12 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 2i3s s VAL 220 CO 0.02 0.48 -0.15 -1.61 0.00 0.00 0.00 175.10 173.84 2i3s s GLU 221 N 1.02 1.71 0.01 2.72 0.41 0.26 -2.04 118.70 122.79 2i3s s GLU 221 Ca -0.01 -1.82 0.04 0.00 -0.41 0.00 0.00 54.97 52.77 2i3s s GLU 221 Cb -0.15 -1.68 -0.01 0.00 -1.78 0.00 0.00 34.13 30.51 2i3s s GLU 221 CO -0.01 0.24 -0.11 -0.06 -0.49 0.00 0.00 175.26 174.83 2i3s s PHE 222 N -2.60 0.97 0.22 1.61 0.08 -1.26 -0.57 117.98 116.43 2i3s s PHE 222 Ca 0.30 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 2i3s s PHE 222 Cb -0.02 -0.60 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 2i3s s PHE 222 CO 0.15 -0.01 1.11 -0.06 -0.10 0.00 0.00 175.22 176.31 2i3s s PHE 223 N -0.55 3.57 0.52 0.36 0.40 -1.16 -4.95 117.98 116.17 2i3s s PHE 223 Ca 0.02 1.62 0.02 0.00 -0.60 0.00 0.00 56.93 57.99 2i3s s PHE 223 Cb -0.06 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.18 2i3s s PHE 223 CO 0.00 -0.65 0.11 -0.51 0.70 0.00 0.00 175.22 174.88 2i3s s ASP 224 N -0.39 4.27 0.00 1.36 -0.00 -1.26 -5.00 116.67 115.65 2i3s s ASP 224 Ca 0.48 -1.54 0.00 0.00 -0.00 0.00 0.00 52.55 51.48 2i3s s ASP 224 Cb -0.31 0.49 0.00 0.00 -0.00 0.00 0.00 42.92 43.11 2i3s s ASP 224 CO 0.37 -0.92 0.00 -1.54 -0.00 0.00 0.00 175.17 173.08 2i3s n SER 233 N -1.40 0.00 0.02 0.27 3.41 -1.26 -5.25 113.62 109.40 2i3s n SER 233 Ca -0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.46 2i3s n SER 233 Cb 0.66 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2i3s n SER 233 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2i3s h LYS 234 N 0.00 -0.06 -3.03 4.33 1.57 -1.95 -3.51 116.57 113.93 2i3s h LYS 234 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i3s h LYS 234 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2i3s h LYS 234 CO 0.00 -0.04 -0.71 -2.13 -0.57 0.00 0.00 179.45 176.01 2i3s n ARG 235 N -2.58 -3.85 -3.61 3.15 0.63 -1.26 -5.07 116.66 104.07 2i3s n ARG 235 Ca -0.01 2.78 0.00 0.00 -0.92 0.00 0.00 57.85 59.71 2i3s n ARG 235 Cb 0.02 -3.06 -0.01 0.00 0.45 0.00 0.00 32.46 29.86 2i3s n ARG 235 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2i3s s PHE 236 N -1.74 -0.06 0.17 -0.14 -0.12 -0.87 -5.02 117.98 110.20 2i3s s PHE 236 Ca 0.00 -0.03 -0.17 0.00 -0.05 0.00 0.00 56.93 56.68 2i3s s PHE 236 Cb 0.00 0.54 0.03 0.00 -0.63 0.00 0.00 43.02 42.96 2i3s s PHE 236 CO 0.00 -0.25 0.48 0.00 -0.05 0.00 0.00 175.22 175.40 2i3s s ALA 237 N -2.41 -0.97 0.22 1.99 0.00 -1.26 0.32 121.76 119.64 2i3s s ALA 237 Ca 0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 2i3s s ALA 237 Cb 0.03 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2i3s s ALA 237 CO -0.04 -0.74 0.38 -0.59 0.00 0.00 0.00 175.76 174.78 2i3s s PHE 238 N -3.84 0.49 0.02 0.00 -0.71 -0.61 -5.00 117.98 108.34 2i3s s PHE 238 Ca 0.06 -0.83 -0.01 0.00 -1.04 0.00 0.00 56.93 55.11 2i3s s PHE 238 Cb 0.00 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2i3s s PHE 238 CO -0.07 -0.88 0.18 1.03 -1.34 0.00 0.00 175.22 174.14 2i3s s ARG 239 N -4.03 3.40 0.00 1.99 0.52 -1.26 -1.29 118.95 118.27 2i3s s ARG 239 Ca 0.24 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2i3s s ARG 239 Cb 0.01 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.43 2i3s s ARG 239 CO 0.08 0.65 0.00 0.00 0.02 0.00 0.00 175.30 176.04 2i3s n HIS 241 N -1.15 2.92 -4.25 0.00 8.25 -1.26 -4.99 115.22 114.74 2i3s n HIS 241 Ca 0.00 -3.81 -0.17 0.00 -0.26 0.00 0.00 57.72 53.48 2i3s n HIS 241 Cb 0.01 -0.43 -0.11 0.00 1.12 0.00 0.00 29.99 30.59 2i3s n HIS 241 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2i3s s ARG 242 N -3.21 1.07 -0.18 -0.41 3.52 -1.26 -1.69 118.95 116.78 2i3s s ARG 242 Ca 0.46 -1.34 -0.00 0.00 -0.13 0.00 0.00 55.73 54.72 2i3s s ARG 242 Cb 0.32 -0.84 0.01 0.00 -1.56 0.00 0.00 34.95 32.87 2i3s s ARG 242 CO -0.12 0.14 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.85 2i3s s LEU 243 N -2.76 2.40 -1.11 -0.88 1.43 0.32 -4.94 118.68 113.14 2i3s s LEU 243 Ca 0.13 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 2i3s s LEU 243 Cb -0.02 -1.56 0.14 0.00 0.03 0.00 0.00 46.19 44.77 2i3s s LEU 243 CO 0.03 0.03 1.36 0.21 0.23 0.00 0.00 176.35 178.20 2i3s s ASN 244 N 1.16 6.85 0.67 2.29 3.04 -1.26 -0.77 114.94 126.92 2i3s s ASN 244 Ca 0.01 -2.48 -0.06 0.00 0.04 0.00 0.00 52.86 50.37 2i3s s ASN 244 Cb -0.14 -2.43 0.05 0.00 -1.54 0.00 0.00 41.25 37.18 2i3s s ASN 244 CO -0.06 -0.97 0.98 -0.76 -3.04 0.00 0.00 177.10 173.25 2i3s s LEU 245 N 2.53 2.93 0.17 3.21 1.43 -1.26 -5.00 118.68 122.70 2i3s s LEU 245 Ca 0.41 0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.81 2i3s s LEU 245 Cb -0.03 -3.20 0.11 0.00 0.03 0.00 0.00 46.19 43.10 2i3s s LEU 245 CO -0.03 -1.45 1.62 0.50 0.23 0.00 0.00 176.35 177.22 2i3s h LYS 246 N -0.47 -0.15 0.00 1.70 3.64 -2.02 -3.38 116.57 115.89 2i3s h LYS 246 Ca -0.44 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 58.69 2i3s h LYS 246 Cb 1.30 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 2i3s h LYS 246 CO 0.60 -0.10 -1.87 -0.25 -2.27 0.00 0.00 179.45 175.56 2i3s n ASP 247 N -5.40 1.27 -4.03 4.20 8.00 -1.26 -5.02 116.55 114.30 2i3s n ASP 247 Ca 0.03 0.16 -0.25 0.00 0.71 0.00 0.00 54.79 55.43 2i3s n ASP 247 Cb 0.31 -0.43 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 2i3s n ASP 247 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2i3s s THR 248 N -2.28 1.22 0.51 -3.53 2.01 -1.26 -5.13 115.64 107.17 2i3s s THR 248 Ca -0.22 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 2i3s s THR 248 Cb 0.08 -1.11 -0.07 0.00 0.01 0.00 0.00 72.50 71.41 2i3s s THR 248 CO 0.28 0.38 1.03 0.20 -0.69 0.00 0.00 174.62 175.81 2i3s s ASN 249 N 0.72 6.28 -0.22 3.53 0.01 -1.26 -4.14 114.94 119.86 2i3s s ASN 249 Ca -0.13 1.84 -0.03 0.00 -0.71 0.00 0.00 52.86 53.83 2i3s s ASN 249 Cb -0.16 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.96 2i3s s ASN 249 CO 0.03 -0.82 -0.07 -0.22 -1.51 0.00 0.00 177.10 174.51 2i3s s LEU 250 N -3.78 2.80 -0.20 0.60 2.96 0.05 -4.92 118.68 116.19 2i3s s LEU 250 Ca 0.65 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 2i3s s LEU 250 Cb -0.15 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 2i3s s LEU 250 CO 0.25 -0.03 -0.06 0.00 -1.32 0.00 0.00 176.35 175.19 2i3s s ALA 251 N 1.42 2.81 0.18 5.97 0.00 -1.26 0.12 121.76 130.99 2i3s s ALA 251 Ca 0.05 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2i3s s ALA 251 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2i3s s ALA 251 CO -0.05 -0.25 0.18 0.71 0.00 0.00 0.00 175.76 176.35 2i3s s TYR 252 N 1.17 3.23 0.36 0.00 1.51 -0.68 -4.60 117.35 118.34 2i3s s TYR 252 Ca 0.02 -0.00 -0.27 0.00 -1.01 0.00 0.00 57.07 55.80 2i3s s TYR 252 Cb -0.14 -1.53 -0.09 0.00 -0.11 0.00 0.00 41.96 40.08 2i3s s TYR 252 CO -0.01 0.52 1.28 -2.14 -1.11 0.00 0.00 175.55 174.09 2i3s s PRO 253 N -3.26 4.20 -0.85 -1.71 0.02 -1.21 -0.10 135.00 132.07 2i3s s PRO 253 Ca 0.32 2.14 -0.06 0.00 0.02 0.00 0.00 61.00 63.41 2i3s s PRO 253 Cb -0.10 -2.92 0.22 0.00 0.02 0.00 0.00 34.50 31.72 2i3s s PRO 253 CO 0.25 -0.29 0.75 0.08 -0.33 0.00 0.00 177.00 177.46 2i3s s VAL 254 N -1.21 4.82 0.21 3.83 1.01 -0.11 -0.64 120.40 128.30 2i3s s VAL 254 Ca 0.52 -3.22 -0.10 0.00 0.00 0.00 0.00 61.98 59.19 2i3s s VAL 254 Cb -0.38 -3.99 0.16 0.00 0.00 0.00 0.00 36.38 32.17 2i3s s VAL 254 CO 0.49 -1.04 1.88 0.78 0.00 0.00 0.00 175.10 177.21 2i3s h ASN 255 N 6.82 0.85 -3.44 3.32 2.35 -1.44 -3.40 115.58 120.63 2i3s h ASN 255 Ca 0.11 -0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 2i3s h ASN 255 Cb 0.92 -0.21 -0.33 0.00 0.05 0.00 0.00 38.32 38.75 2i3s h ASN 255 CO 0.82 0.61 -0.66 -0.55 -1.65 0.00 0.00 177.43 176.00 2i3s s SER 256 N -5.86 0.07 0.07 5.81 0.15 -1.13 -4.36 113.70 108.45 2i3s s SER 256 Ca -0.13 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.76 2i3s s SER 256 Cb 0.15 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2i3s s SER 256 CO 0.78 -0.15 -0.16 0.27 1.20 0.00 0.00 173.24 175.17 2i3s s ILE 257 N 1.24 1.31 -0.19 6.45 -4.36 -1.26 -0.64 121.20 123.76 2i3s s ILE 257 Ca -0.08 -1.27 -0.29 0.00 -0.26 0.00 0.00 60.65 58.75 2i3s s ILE 257 Cb -0.12 -1.21 0.12 0.00 1.25 0.00 0.00 42.46 42.50 2i3s s ILE 257 CO -0.05 -0.08 0.99 -0.70 0.24 0.00 0.00 174.94 175.35 2i3s s GLU 258 N -1.56 0.59 0.16 0.37 2.12 -0.30 -4.83 118.70 115.25 2i3s s GLU 258 Ca 0.02 0.26 -0.12 0.00 0.36 0.00 0.00 54.97 55.49 2i3s s GLU 258 Cb -0.09 0.28 -0.07 0.00 0.26 0.00 0.00 34.13 34.51 2i3s s GLU 258 CO 0.02 -0.16 0.52 -0.06 -0.54 0.00 0.00 175.26 175.04 2i3s s PHE 259 N -0.78 3.55 0.20 5.30 0.40 -1.26 -0.05 117.98 125.34 2i3s s PHE 259 Ca -0.01 0.95 -0.25 0.00 -0.60 0.00 0.00 56.93 57.01 2i3s s PHE 259 Cb -0.02 -2.29 -0.08 0.00 0.51 0.00 0.00 43.02 41.14 2i3s s PHE 259 CO 0.00 0.40 0.82 -1.54 0.70 0.00 0.00 175.22 175.60 2i3s s SER 260 N -1.92 7.39 0.30 1.36 1.04 0.07 -4.83 113.70 117.11 2i3s s SER 260 Ca 0.40 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.59 2i3s s SER 260 Cb -0.14 -2.52 0.47 0.00 0.10 0.00 0.00 66.02 63.93 2i3s s SER 260 CO 0.20 0.15 1.71 1.55 0.98 0.00 0.00 173.24 177.82 2i3s h PRO 261 N 4.04 0.22 0.00 4.02 0.13 -1.84 -1.34 132.00 137.23 2i3s h PRO 261 Ca -0.47 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2i3s h PRO 261 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2i3s h PRO 261 CO 0.66 0.60 0.00 -2.13 -0.23 0.00 0.00 178.00 176.90 2i3s n ARG 262 N -4.02 0.00 -0.10 0.86 3.00 -1.26 -4.25 116.66 110.88 2i3s n ARG 262 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.94 2i3s n ARG 262 Cb 0.48 -0.86 0.34 0.00 0.00 0.00 0.00 32.46 32.42 2i3s n ARG 262 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2i3s n HIS 263 N -0.51 0.26 -4.03 -0.14 8.25 -1.26 -4.93 115.22 112.85 2i3s n HIS 263 Ca 0.00 -0.13 -0.32 0.00 -0.26 0.00 0.00 57.72 57.01 2i3s n HIS 263 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2i3s n HIS 263 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2i3s n LYS 264 N 0.39 -4.45 -3.17 -0.41 5.02 -0.50 -4.96 118.16 110.06 2i3s n LYS 264 Ca 0.16 0.50 -0.28 0.00 -2.02 0.00 0.00 58.31 56.67 2i3s n LYS 264 Cb 0.33 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 30.05 2i3s n LYS 264 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2i3s s PHE 265 N -3.35 3.49 -0.20 2.13 2.99 -1.26 -4.75 117.98 117.04 2i3s s PHE 265 Ca 0.63 0.66 -0.10 0.00 0.00 0.00 0.00 56.93 58.12 2i3s s PHE 265 Cb -0.33 -2.13 -0.05 0.00 0.00 0.00 0.00 43.02 40.51 2i3s s PHE 265 CO 0.87 0.06 0.12 -1.17 -0.00 0.00 0.00 175.22 175.10 2i3s s LEU 266 N -3.93 4.13 -0.15 -0.37 2.96 0.70 -0.75 118.68 121.27 2i3s s LEU 266 Ca 0.45 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2i3s s LEU 266 Cb -0.10 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2i3s s LEU 266 CO 0.34 0.17 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.17 2i3s s TYR 267 N 0.43 2.99 -0.04 5.38 1.51 0.93 0.11 117.35 128.66 2i3s s TYR 267 Ca 0.07 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 2i3s s TYR 267 Cb -0.11 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 2i3s s TYR 267 CO -0.01 -0.06 -0.23 0.95 -1.11 0.00 0.00 175.55 175.09 2i3s s THR 268 N 0.35 2.31 -0.12 -0.71 -4.23 0.04 -1.15 115.64 112.13 2i3s s THR 268 Ca -0.05 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2i3s s THR 268 Cb -0.14 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.87 2i3s s THR 268 CO 0.03 0.58 -0.20 0.00 -0.54 0.00 0.00 174.62 174.50 2i3s s ALA 269 N -0.51 2.02 0.47 3.99 0.00 0.19 -0.21 121.76 127.72 2i3s s ALA 269 Ca 0.07 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2i3s s ALA 269 Cb -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2i3s s ALA 269 CO 0.01 -0.01 0.07 0.20 0.00 0.00 0.00 175.76 176.02 2i3s s GLY 270 N 0.83 2.73 -0.00 0.00 0.00 -0.78 -1.24 107.32 108.86 2i3s s GLY 270 Ca -0.08 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.44 2i3s s GLY 270 CO -0.01 -2.11 1.02 1.44 0.00 0.00 0.00 173.10 173.44 2i3s n SER 271 N -1.23 0.32 -0.87 1.64 7.64 0.19 -1.88 113.62 119.42 2i3s n SER 271 Ca -0.11 -2.00 0.12 0.00 1.01 0.00 0.00 58.87 57.89 2i3s n SER 271 Cb 0.66 -0.05 0.25 0.00 -1.01 0.00 0.00 64.21 64.06 2i3s n SER 271 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2i3s n ASP 272 N -0.33 2.67 -0.35 6.43 5.75 -1.26 -4.62 116.55 124.82 2i3s n ASP 272 Ca 0.02 -1.87 -0.05 0.00 -0.01 0.00 0.00 54.79 52.88 2i3s n ASP 272 Cb 0.05 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2i3s n ASP 272 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i3s n GLY 273 N 1.33 0.73 3.49 6.12 0.00 -0.79 -4.98 105.19 111.09 2i3s n GLY 273 Ca 0.17 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2i3s n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i3s s ILE 274 N -2.10 2.97 -0.20 -0.61 1.01 -1.25 -3.61 121.20 117.39 2i3s s ILE 274 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 2i3s s ILE 274 Cb 0.00 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2i3s s ILE 274 CO 0.00 0.32 -0.04 -0.63 0.00 0.00 0.00 174.94 174.59 2i3s s ILE 275 N -0.97 3.47 0.19 2.92 1.01 -1.26 -1.86 121.20 124.70 2i3s s ILE 275 Ca 0.16 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2i3s s ILE 275 Cb -0.11 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2i3s s ILE 275 CO 0.06 0.44 0.01 -0.44 0.00 0.00 0.00 174.94 175.01 2i3s s SER 276 N 1.23 4.78 -0.06 3.58 0.01 0.71 -1.75 113.70 122.19 2i3s s SER 276 Ca 0.03 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 56.92 2i3s s SER 276 Cb -0.14 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 2i3s s SER 276 CO -0.01 0.07 -0.21 0.00 0.41 0.00 0.00 173.24 173.51 2i3s s TRP 278 N -0.26 0.59 -0.51 0.00 0.52 0.12 -0.23 118.94 119.17 2i3s s TRP 278 Ca 0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 56.10 55.65 2i3s s TRP 278 Cb -0.13 -0.36 0.13 0.00 -1.15 0.00 0.00 33.47 31.96 2i3s s TRP 278 CO 0.03 -0.09 0.32 1.21 0.02 0.00 0.00 176.95 178.44 2i3s s ASN 279 N -1.38 5.19 0.61 2.95 3.84 -1.09 -0.21 114.94 124.85 2i3s s ASN 279 Ca -0.09 -2.47 0.41 0.00 0.21 0.00 0.00 52.86 50.91 2i3s s ASN 279 Cb -0.09 -1.83 2.13 0.00 -0.55 0.00 0.00 41.25 40.91 2i3s s ASN 279 CO 0.00 -0.44 2.24 -0.07 -2.79 0.00 0.00 177.10 176.04 2i3s h LEU 280 N 7.48 0.00 0.14 3.21 3.38 -1.88 0.36 115.31 128.00 2i3s h LEU 280 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2i3s h LEU 280 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2i3s h LEU 280 CO 0.70 0.00 -0.07 1.56 0.09 0.00 0.00 178.44 180.72 2i3s h GLN 281 N 0.00 -0.18 -0.12 1.13 4.20 -1.93 -3.27 115.11 114.92 2i3s h GLN 281 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2i3s h GLN 281 Cb 0.09 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2i3s h GLN 281 CO 0.00 0.27 0.00 0.25 -0.67 0.00 0.00 178.83 178.68 2i3s n THR 282 N -4.91 0.15 -3.38 -0.54 -2.24 -1.09 -4.99 114.28 97.29 2i3s n THR 282 Ca -0.08 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 2i3s n THR 282 Cb 0.27 0.56 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2i3s n THR 282 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2i3s n ARG 283 N 0.46 -1.96 -3.64 -0.78 1.74 0.13 -5.01 116.66 107.59 2i3s n ARG 283 Ca 0.17 1.54 -0.05 0.00 -0.77 0.00 0.00 57.85 58.74 2i3s n ARG 283 Cb 0.39 -2.66 -0.07 0.00 -1.02 0.00 0.00 32.46 29.10 2i3s n ARG 283 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2i3s s LYS 284 N -2.41 0.47 0.17 5.56 2.20 -1.14 -5.01 119.74 119.58 2i3s s LYS 284 Ca 0.34 0.76 -0.32 0.00 -0.36 0.00 0.00 55.97 56.40 2i3s s LYS 284 Cb -0.04 0.12 -0.11 0.00 -1.51 0.00 0.00 37.83 36.29 2i3s s LYS 284 CO 0.82 -0.09 1.63 0.21 -0.36 0.00 0.00 175.35 177.56 2i3s s LYS 285 N 1.18 4.18 -0.17 4.03 2.20 -1.26 -2.66 119.74 127.25 2i3s s LYS 285 Ca -0.07 2.45 -0.20 0.00 -0.36 0.00 0.00 55.97 57.78 2i3s s LYS 285 Cb -0.04 -3.17 -0.23 0.00 -1.51 0.00 0.00 37.83 32.89 2i3s s LYS 285 CO -0.14 -0.67 0.39 0.82 -0.36 0.00 0.00 175.35 175.40 2i3s h ILE 286 N 4.01 1.06 -2.07 5.43 2.04 -0.96 -3.48 117.51 123.54 2i3s h ILE 286 Ca -0.43 -2.27 0.19 0.00 1.00 0.00 0.00 64.86 63.36 2i3s h ILE 286 Cb 1.20 2.54 -0.12 0.00 -0.74 0.00 0.00 36.82 39.71 2i3s h ILE 286 CO 0.93 0.50 0.58 -1.59 0.00 0.00 0.00 178.15 178.57 2i3s s LYS 287 N -2.38 0.86 -0.17 2.37 -2.85 -1.20 -4.99 119.74 111.37 2i3s s LYS 287 Ca -0.25 -0.43 -0.01 0.00 -1.00 0.00 0.00 55.97 54.29 2i3s s LYS 287 Cb 0.04 0.32 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2i3s s LYS 287 CO 0.66 -0.39 -0.04 -0.80 0.10 0.00 0.00 175.35 174.88 2i3s s ASN 288 N -2.75 2.92 0.79 0.03 0.01 -1.26 -0.53 114.94 114.15 2i3s s ASN 288 Ca 0.10 -0.72 -0.12 0.00 -0.71 0.00 0.00 52.86 51.41 2i3s s ASN 288 Cb -0.00 -0.91 0.07 0.00 0.41 0.00 0.00 41.25 40.83 2i3s s ASN 288 CO -0.03 -0.20 1.15 -0.36 -1.51 0.00 0.00 177.10 176.15 2i3s s PHE 289 N 1.63 2.12 0.35 2.20 0.40 -0.72 -4.92 117.98 119.04 2i3s s PHE 289 Ca -0.00 1.64 -0.29 0.00 -0.60 0.00 0.00 56.93 57.69 2i3s s PHE 289 Cb -0.16 -3.29 -0.11 0.00 0.51 0.00 0.00 43.02 39.97 2i3s s PHE 289 CO -0.08 -2.35 1.41 0.00 0.70 0.00 0.00 175.22 174.90 2i3s s ALA 290 N -2.45 3.55 0.13 5.36 0.00 -1.26 -4.57 121.76 122.52 2i3s s ALA 290 Ca 0.68 1.42 -0.35 0.00 0.00 0.00 0.00 51.96 53.71 2i3s s ALA 290 Cb -0.23 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.18 2i3s s ALA 290 CO 0.51 -0.86 1.40 1.17 0.00 0.00 0.00 175.76 177.99 2i3s n LYS 291 N 0.77 1.54 0.05 0.00 4.81 -1.26 -4.90 118.16 119.17 2i3s n LYS 291 Ca 0.01 0.56 -0.20 0.00 -0.87 0.00 0.00 58.31 57.80 2i3s n LYS 291 Cb 0.40 -2.22 -0.11 0.00 0.02 0.00 0.00 35.03 33.12 2i3s n LYS 291 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 2i3s h PHE 292 N 4.83 1.01 -0.39 5.64 -1.00 -1.90 -3.50 116.94 121.63 2i3s h PHE 292 Ca -0.46 -0.56 0.00 0.00 2.81 0.00 0.00 57.97 59.76 2i3s h PHE 292 Cb 1.31 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2i3s h PHE 292 CO 0.60 1.40 0.00 0.27 -1.61 0.00 0.00 178.31 178.97 2i3s n ASN 293 N -3.88 0.00 -0.19 2.17 0.23 -1.26 -5.01 115.26 107.31 2i3s n ASN 293 Ca -0.11 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.06 2i3s n ASN 293 Cb 0.88 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 39.22 2i3s n ASN 293 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2i3s n GLU 294 N 0.00 1.26 -4.24 -3.83 4.71 -1.26 -4.91 120.64 112.38 2i3s n GLU 294 Ca 0.00 -0.39 -0.24 0.00 -0.01 0.00 0.00 57.16 56.53 2i3s n GLU 294 Cb 0.00 -1.41 -0.07 0.00 -1.01 0.00 0.00 31.44 28.94 2i3s n GLU 294 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2i3s s ASP 295 N -1.79 4.43 0.52 1.62 1.11 -1.26 -5.04 116.67 116.26 2i3s s ASP 295 Ca 0.37 -0.85 -0.20 0.00 0.18 0.00 0.00 52.55 52.06 2i3s s ASP 295 Cb 0.18 -0.66 -0.07 0.00 1.07 0.00 0.00 42.92 43.44 2i3s s ASP 295 CO 0.30 -0.22 1.08 -0.44 1.18 0.00 0.00 175.17 177.06 2i3s s SER 296 N -3.76 6.03 -0.34 0.27 0.01 -1.13 -4.23 113.70 110.55 2i3s s SER 296 Ca 0.35 2.03 -0.20 0.00 1.31 0.00 0.00 55.95 59.45 2i3s s SER 296 Cb -0.02 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 2i3s s SER 296 CO 0.21 -1.00 0.60 -0.69 0.41 0.00 0.00 173.24 172.77 2i3s s VAL 297 N -1.92 4.93 -0.98 3.43 1.01 -0.88 -1.24 120.40 124.75 2i3s s VAL 297 Ca 0.69 0.57 0.17 0.00 0.00 0.00 0.00 61.98 63.41 2i3s s VAL 297 Cb -0.20 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 2i3s s VAL 297 CO 0.24 -0.25 0.75 1.33 0.00 0.00 0.00 175.10 177.17 2i3s n VAL 298 N 5.50 0.00 -3.60 2.92 0.24 -0.53 -4.15 118.33 118.71 2i3s n VAL 298 Ca -0.02 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 2i3s n VAL 298 Cb 0.49 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.84 2i3s n VAL 298 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2i3s s LYS 299 N -2.44 0.78 0.03 7.34 2.47 -1.21 -4.56 119.74 122.14 2i3s s LYS 299 Ca 0.08 0.61 -0.00 0.00 -1.56 0.00 0.00 55.97 55.10 2i3s s LYS 299 Cb 0.13 0.37 -0.02 0.00 -1.46 0.00 0.00 37.83 36.85 2i3s s LYS 299 CO 0.63 -0.16 -0.03 0.96 0.16 0.00 0.00 175.35 176.91 2i3s s ILE 300 N -0.24 0.16 -0.04 5.43 -4.36 -1.26 -1.31 121.20 119.58 2i3s s ILE 300 Ca -0.02 -1.13 -0.01 0.00 -0.26 0.00 0.00 60.65 59.23 2i3s s ILE 300 Cb -0.03 -0.58 0.03 0.00 1.25 0.00 0.00 42.46 43.13 2i3s s ILE 300 CO 0.01 -0.61 0.02 0.00 0.24 0.00 0.00 174.94 174.60 2i3s s ALA 301 N -2.04 0.39 -0.14 2.27 0.00 0.18 -4.87 121.76 117.56 2i3s s ALA 301 Ca -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2i3s s ALA 301 Cb -0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2i3s s ALA 301 CO -0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 175.76 175.32 2i3s n SER 303 N 3.57 1.32 -0.20 0.00 3.41 -0.15 -4.69 113.62 116.87 2i3s n SER 303 Ca -0.18 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 2i3s n SER 303 Cb 0.53 0.86 0.11 0.00 -0.26 0.00 0.00 64.21 65.45 2i3s n SER 303 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2i3s h ASP 304 N 1.39 0.15 0.01 4.04 3.32 -1.99 -3.34 116.42 120.01 2i3s h ASP 304 Ca -0.28 0.09 -0.40 0.00 0.02 0.00 0.00 57.03 56.45 2i3s h ASP 304 Cb 1.06 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 2i3s h ASP 304 CO 0.45 0.09 -2.37 0.59 -1.72 0.00 0.00 179.24 176.28 2i3s n ASN 305 N -5.04 1.98 -4.67 6.45 3.02 -1.26 -4.86 115.26 110.89 2i3s n ASN 305 Ca 0.09 0.11 -0.26 0.00 -0.03 0.00 0.00 54.58 54.48 2i3s n ASN 305 Cb 0.29 -0.64 -0.09 0.00 -0.61 0.00 0.00 39.78 38.72 2i3s n ASN 305 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2i3s s ILE 306 N -2.51 2.15 -0.20 2.41 -4.36 -1.25 -1.38 121.20 116.06 2i3s s ILE 306 Ca -0.35 -1.87 -0.03 0.00 -0.26 0.00 0.00 60.65 58.14 2i3s s ILE 306 Cb 0.11 -2.99 0.06 0.00 1.25 0.00 0.00 42.46 40.89 2i3s s ILE 306 CO 0.58 -0.01 0.04 -0.22 0.24 0.00 0.00 174.94 175.56 2i3s s LEU 307 N -3.79 1.23 -0.12 0.37 0.20 -1.04 -0.97 118.68 114.55 2i3s s LEU 307 Ca 0.38 -0.85 -0.11 0.00 0.69 0.00 0.00 54.13 54.24 2i3s s LEU 307 Cb 0.07 -0.61 -0.05 0.00 -0.43 0.00 0.00 46.19 45.17 2i3s s LEU 307 CO 0.20 -0.31 0.22 0.00 -0.29 0.00 0.00 176.35 176.17 2i3s s LEU 309 N -0.40 2.45 0.00 0.00 2.34 -0.13 0.50 118.68 123.44 2i3s s LEU 309 Ca 0.15 -0.90 0.02 0.00 0.06 0.00 0.00 54.13 53.46 2i3s s LEU 309 Cb -0.13 -0.11 -0.01 0.00 -0.56 0.00 0.00 46.19 45.38 2i3s s LEU 309 CO 0.04 -0.40 -0.06 0.00 -1.06 0.00 0.00 176.35 174.87 2i3s s ALA 310 N -3.09 0.52 -0.09 1.48 0.00 -0.43 -0.59 121.76 119.56 2i3s s ALA 310 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2i3s s ALA 310 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2i3s s ALA 310 CO -0.03 0.11 -0.11 0.95 0.00 0.00 0.00 175.76 176.67 2i3s s THR 311 N -0.31 3.26 0.02 0.00 -4.23 0.68 -1.45 115.64 113.62 2i3s s THR 311 Ca 0.01 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2i3s s THR 311 Cb -0.03 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 2i3s s THR 311 CO -0.00 0.56 -0.04 -0.44 -0.54 0.00 0.00 174.62 174.16 2i3s s SER 312 N -0.33 0.38 -0.39 3.99 0.01 -0.38 -1.04 113.70 115.94 2i3s s SER 312 Ca 0.04 -0.50 -0.29 0.00 1.31 0.00 0.00 55.95 56.51 2i3s s SER 312 Cb -0.13 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.20 2i3s s SER 312 CO 0.02 -0.27 1.31 -0.62 0.41 0.00 0.00 173.24 174.09 2i3s s ASP 313 N -1.45 6.52 -0.13 2.44 -1.08 -1.26 -2.85 116.67 118.87 2i3s s ASP 313 Ca -0.14 0.86 0.16 0.00 -0.52 0.00 0.00 52.55 52.91 2i3s s ASP 313 Cb -0.10 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.16 2i3s s ASP 313 CO -0.01 -1.27 1.22 -0.90 0.52 0.00 0.00 175.17 174.73 2i3s n ASP 314 N 8.19 2.78 0.18 -0.34 3.85 -1.26 -4.69 116.55 125.26 2i3s n ASP 314 Ca 0.15 -2.94 0.11 0.00 -0.71 0.00 0.00 54.79 51.39 2i3s n ASP 314 Cb 0.48 -0.42 0.57 0.00 -1.35 0.00 0.00 41.12 40.40 2i3s n ASP 314 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2i3s h THR 315 N 0.59 0.00 0.00 2.12 1.35 -2.00 -0.99 112.91 113.98 2i3s h THR 315 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2i3s h THR 315 Cb 1.08 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2i3s h THR 315 CO 0.06 0.00 0.00 2.22 -0.25 0.00 0.00 175.52 177.55 2i3s n PHE 316 N -2.27 0.78 0.43 4.73 -1.74 -1.26 -2.10 117.46 116.03 2i3s n PHE 316 Ca -0.01 0.37 0.05 0.00 -0.56 0.00 0.00 57.45 57.31 2i3s n PHE 316 Cb 0.13 -1.10 0.25 0.00 1.52 0.00 0.00 39.48 40.28 2i3s n PHE 316 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 2i3s n LYS 317 N -2.28 0.05 -0.05 3.97 2.85 -0.37 -1.85 118.16 120.49 2i3s n LYS 317 Ca -0.00 0.27 0.02 0.00 -1.05 0.00 0.00 58.31 57.54 2i3s n LYS 317 Cb 0.10 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.02 2i3s n LYS 317 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2i3s n THR 318 N -1.44 0.95 -0.91 0.58 -2.24 -0.89 -5.04 114.28 105.30 2i3s n THR 318 Ca 0.04 -0.98 -0.32 0.00 -2.27 0.00 0.00 64.05 60.52 2i3s n THR 318 Cb 0.12 0.53 0.15 0.00 -2.10 0.00 0.00 70.33 69.02 2i3s n THR 318 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2i3s s ASN 319 N -0.97 3.29 0.13 3.42 -0.87 -0.77 -4.94 114.94 114.24 2i3s s ASN 319 Ca 0.06 2.25 -0.03 0.00 -1.57 0.00 0.00 52.86 53.57 2i3s s ASN 319 Cb 0.03 -2.57 -0.10 0.00 -0.02 0.00 0.00 41.25 38.59 2i3s s ASN 319 CO 0.04 -2.87 1.30 0.00 -2.57 0.00 0.00 177.10 173.01 2i3s h ALA 320 N -1.42 0.37 -2.67 0.60 0.00 -1.96 -3.47 119.26 110.72 2i3s h ALA 320 Ca -0.44 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 53.65 2i3s h ALA 320 Cb 1.28 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 2i3s h ALA 320 CO 0.44 0.86 -0.25 0.00 0.00 0.00 0.00 179.25 180.30 2i3s s ALA 321 N -3.17 -0.27 0.15 0.00 0.00 -1.26 -5.05 121.76 112.16 2i3s s ALA 321 Ca -0.05 -0.66 0.31 0.00 0.00 0.00 0.00 51.96 51.56 2i3s s ALA 321 Cb 0.09 0.78 1.29 0.00 0.00 0.00 0.00 23.12 25.28 2i3s s ALA 321 CO 0.86 -0.65 1.96 -0.84 0.00 0.00 0.00 175.76 177.09 2i3s h ILE 322 N 2.50 0.19 -0.20 0.00 3.07 -1.97 -2.85 117.51 118.25 2i3s h ILE 322 Ca -0.32 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.43 2i3s h ILE 322 Cb 1.23 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.33 2i3s h ILE 322 CO 0.48 0.07 0.00 -0.90 -1.05 0.00 0.00 178.15 176.74 2i3s n ASP 323 N -3.21 1.47 -4.73 2.16 5.75 -1.26 -4.90 116.55 111.82 2i3s n ASP 323 Ca 0.00 -1.80 -0.42 0.00 -0.01 0.00 0.00 54.79 52.57 2i3s n ASP 323 Cb 0.33 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2i3s n ASP 323 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2i3s s GLN 324 N -1.74 4.29 0.30 0.11 -0.21 -1.08 -4.97 119.66 116.37 2i3s s GLN 324 Ca 0.27 2.22 -0.29 0.00 0.02 0.00 0.00 55.36 57.59 2i3s s GLN 324 Cb 0.14 -3.16 -0.10 0.00 1.00 0.00 0.00 33.01 30.89 2i3s s GLN 324 CO 0.21 -0.44 1.14 0.99 -2.12 0.00 0.00 175.29 175.06 2i3s s THR 325 N 0.52 3.35 -0.29 -0.19 2.01 -1.26 -5.01 115.64 114.76 2i3s s THR 325 Ca 0.62 1.32 -0.16 0.00 0.31 0.00 0.00 61.69 63.79 2i3s s THR 325 Cb -0.40 -3.83 0.13 0.00 0.01 0.00 0.00 72.50 68.41 2i3s s THR 325 CO 0.37 0.29 0.90 -0.51 -0.69 0.00 0.00 174.62 174.97 2i3s s ILE 326 N -1.21 -0.11 -0.18 1.82 2.07 -1.26 -5.14 121.20 117.19 2i3s s ILE 326 Ca 0.47 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.59 2i3s s ILE 326 Cb -0.33 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.22 2i3s s ILE 326 CO 0.42 0.00 0.21 -1.61 -1.91 0.00 0.00 174.94 172.05 2i3s s GLU 327 N 1.62 4.20 -0.05 3.50 2.02 -1.26 -5.08 118.70 123.65 2i3s s GLU 327 Ca -0.08 -0.06 -0.01 0.00 0.02 0.00 0.00 54.97 54.84 2i3s s GLU 327 Cb -0.05 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2i3s s GLU 327 CO -0.17 0.29 0.01 -0.51 0.02 0.00 0.00 175.26 174.90 2i3s s LEU 328 N 0.36 3.61 0.88 1.80 1.43 -1.26 -5.10 118.68 120.41 2i3s s LEU 328 Ca 0.12 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 2i3s s LEU 328 Cb -0.12 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.26 2i3s s LEU 328 CO 0.01 0.33 1.03 0.59 0.23 0.00 0.00 176.35 178.55 2i3s n ASN 329 N 1.77 0.14 -4.77 2.29 5.03 -1.26 -4.96 115.26 113.50 2i3s n ASN 329 Ca -0.17 0.46 -0.39 0.00 0.87 0.00 0.00 54.58 55.36 2i3s n ASN 329 Cb 0.53 -1.44 -0.04 0.00 -1.02 0.00 0.00 39.78 37.81 2i3s n ASN 329 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2i3s s ALA 330 N -2.42 3.26 0.97 5.41 0.00 -1.26 -4.34 121.76 123.38 2i3s s ALA 330 Ca 0.67 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2i3s s ALA 330 Cb -0.25 -3.29 0.17 0.00 0.00 0.00 0.00 23.12 19.74 2i3s s ALA 330 CO 0.57 -0.16 1.09 -1.12 0.00 0.00 0.00 175.76 176.15 2i3s s SER 331 N -1.19 2.88 0.02 0.00 0.01 0.99 -4.83 113.70 111.57 2i3s s SER 331 Ca 0.50 1.34 -0.01 0.00 1.31 0.00 0.00 55.95 59.09 2i3s s SER 331 Cb -0.27 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2i3s s SER 331 CO 0.35 -2.99 -0.01 -0.44 0.41 0.00 0.00 173.24 170.55 2i3s s SER 332 N -3.39 0.26 -0.03 2.44 0.01 -0.20 -4.80 113.70 107.99 2i3s s SER 332 Ca 0.65 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 57.38 2i3s s SER 332 Cb -0.19 0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 2i3s s SER 332 CO 0.58 -0.36 -0.14 -0.63 0.41 0.00 0.00 173.24 173.10 2i3s s ILE 333 N -1.89 1.18 0.09 1.44 1.01 -1.26 -0.23 121.20 121.54 2i3s s ILE 333 Ca -0.12 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2i3s s ILE 333 Cb -0.07 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2i3s s ILE 333 CO -0.02 0.35 -0.12 -0.31 0.00 0.00 0.00 174.94 174.84 2i3s s TYR 334 N 0.05 1.13 -0.10 3.97 1.51 0.24 -1.23 117.35 122.92 2i3s s TYR 334 Ca -0.02 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2i3s s TYR 334 Cb -0.10 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.15 2i3s s TYR 334 CO 0.01 0.03 -0.13 0.42 -1.11 0.00 0.00 175.55 174.78 2i3s s ILE 335 N -1.97 1.29 -0.56 2.71 1.01 0.07 -0.95 121.20 122.79 2i3s s ILE 335 Ca 0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 2i3s s ILE 335 Cb -0.06 -1.20 0.14 0.00 0.01 0.00 0.00 42.46 41.35 2i3s s ILE 335 CO 0.01 0.40 0.44 -0.63 0.00 0.00 0.00 174.94 175.17 2i3s s ILE 336 N 1.05 4.42 0.38 2.92 1.01 -0.15 -1.26 121.20 129.57 2i3s s ILE 336 Ca -0.06 -2.10 -0.26 0.00 0.00 0.00 0.00 60.65 58.22 2i3s s ILE 336 Cb -0.15 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 2i3s s ILE 336 CO -0.01 -0.84 1.20 -0.36 0.00 0.00 0.00 174.94 174.92 2i3s s PHE 337 N 0.91 3.09 -1.36 3.97 0.08 0.67 -2.51 117.98 122.84 2i3s s PHE 337 Ca 0.10 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.57 2i3s s PHE 337 Cb -0.23 -3.46 0.09 0.00 -0.57 0.00 0.00 43.02 38.85 2i3s s PHE 337 CO -0.02 -1.41 0.57 -0.25 -0.10 0.00 0.00 175.22 174.00 2i3s n ASP 338 N 0.30 -3.75 0.30 1.36 10.43 -0.48 -1.62 116.55 123.09 2i3s n ASP 338 Ca 0.03 -0.50 0.15 0.00 2.57 0.00 0.00 54.79 57.04 2i3s n ASP 338 Cb 0.45 -3.09 0.79 0.00 1.84 0.00 0.00 41.12 41.11 2i3s n ASP 338 CO 0.00 0.00 0.00 0.10 -1.07 0.00 0.00 177.20 176.23 2i3s h TYR 339 N -1.12 0.00 0.00 1.24 -0.00 -1.61 -3.19 116.97 112.29 2i3s h TYR 339 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2i3s h TYR 339 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 2i3s h TYR 339 CO 0.66 0.00 0.00 -0.85 -0.00 0.00 0.00 178.16 177.97