#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 0.09 -0.30 2.12 0.74 -0.81 -4.98 119.66 116.51 2i3s s GLN 2 Ca 0.00 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 55.52 2i3s s GLN 2 Cb 0.00 -0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 2i3s s GLN 2 CO 0.00 -0.09 0.20 0.42 -0.55 0.00 0.00 175.29 175.27 2i3s s ILE 3 N 0.57 5.16 -0.06 -2.34 1.09 -1.26 -1.27 121.20 123.08 2i3s s ILE 3 Ca -0.04 -0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.50 2i3s s ILE 3 Cb -0.06 -3.54 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 2i3s s ILE 3 CO -0.02 0.14 -0.21 0.54 -0.10 0.00 0.00 174.94 175.29 2i3s s VAL 4 N 1.72 2.47 0.18 2.92 0.11 -0.76 -4.97 120.40 122.07 2i3s s VAL 4 Ca 0.06 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.11 2i3s s VAL 4 Cb -0.17 -1.93 -0.06 0.00 -1.53 0.00 0.00 36.38 32.69 2i3s s VAL 4 CO 0.10 0.57 0.47 -1.58 -3.33 0.00 0.00 175.10 171.33 2i3s s GLN 5 N -0.33 3.74 -0.08 1.54 0.74 -1.26 -1.39 119.66 122.61 2i3s s GLN 5 Ca 0.02 0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.27 2i3s s GLN 5 Cb -0.12 -2.76 -0.02 0.00 1.10 0.00 0.00 33.01 31.20 2i3s s GLN 5 CO 0.02 0.40 1.06 0.42 -0.55 0.00 0.00 175.29 176.64 2i3s s ILE 6 N -1.71 4.63 0.07 -2.34 -1.09 0.44 -4.96 121.20 116.25 2i3s s ILE 6 Ca 0.43 1.91 -0.34 0.00 -2.23 0.00 0.00 60.65 60.43 2i3s s ILE 6 Cb -0.12 -4.23 -0.19 0.00 -1.58 0.00 0.00 42.46 36.34 2i3s s ILE 6 CO 0.22 0.01 1.62 -0.33 -1.23 0.00 0.00 174.94 175.23 2i3s h GLU 7 N 7.17 -0.93 -4.77 2.79 4.39 -1.93 -3.41 114.58 117.89 2i3s h GLU 7 Ca -0.33 0.06 -0.68 0.00 0.34 0.00 0.00 59.36 58.76 2i3s h GLU 7 Cb 1.16 0.21 -0.35 0.00 -0.10 0.00 0.00 28.75 29.67 2i3s h GLU 7 CO 0.86 -0.62 -0.72 -1.14 -1.16 0.00 0.00 179.01 176.22 2i3s s GLN 8 N -6.04 2.22 0.14 2.33 2.00 -1.26 -5.10 119.66 113.95 2i3s s GLN 8 Ca -0.18 -1.41 0.10 0.00 -2.00 0.00 0.00 55.36 51.87 2i3s s GLN 8 Cb 0.03 -3.12 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 2i3s s GLN 8 CO 0.62 -0.68 -0.24 0.00 -0.50 0.00 0.00 175.29 174.49 2i3s s ALA 9 N 1.15 2.25 0.55 1.58 0.00 -1.26 -5.03 121.76 121.00 2i3s s ALA 9 Ca -0.03 -1.46 -0.20 0.00 0.00 0.00 0.00 51.96 50.26 2i3s s ALA 9 Cb -0.20 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 2i3s s ALA 9 CO -0.03 0.44 0.87 -2.30 0.00 0.00 0.00 175.76 174.74 2i3s n PRO 10 N 0.73 0.92 0.01 0.00 -0.02 -1.26 -4.92 135.00 130.46 2i3s n PRO 10 Ca -0.17 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 2i3s n PRO 10 Cb 0.54 -2.02 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.70 0.00 -7.60 -0.52 1.57 -1.97 -3.35 116.57 105.40 2i3s h LYS 11 Ca -0.47 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.87 2i3s h LYS 11 Cb 1.37 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.84 2i3s h LYS 11 CO 0.51 0.67 0.30 0.34 -0.57 0.00 0.00 179.45 180.71 2i3s s ASP 12 N -6.31 2.51 0.12 0.86 -1.08 -1.26 -1.71 116.67 109.80 2i3s s ASP 12 Ca -0.03 0.56 -0.36 0.00 -0.52 0.00 0.00 52.55 52.21 2i3s s ASP 12 Cb 0.09 -0.80 -0.16 0.00 -1.46 0.00 0.00 42.92 40.59 2i3s s ASP 12 CO 0.82 -3.13 1.44 0.00 0.52 0.00 0.00 175.17 174.82 2i3s n TYR 13 N -4.09 1.83 -3.08 -5.34 4.19 -1.26 -4.46 117.16 104.95 2i3s n TYR 13 Ca 0.12 0.49 -0.41 0.00 3.31 0.00 0.00 57.90 61.41 2i3s n TYR 13 Cb 0.59 -2.42 -0.06 0.00 0.49 0.00 0.00 39.34 37.94 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 0.67 4.91 -0.03 2.97 -1.09 -1.26 -1.22 121.20 126.15 2i3s s ILE 14 Ca 0.82 0.95 0.08 0.00 -2.23 0.00 0.00 60.65 60.28 2i3s s ILE 14 Cb -0.84 -4.03 -0.24 0.00 -1.58 0.00 0.00 42.46 35.78 2i3s s ILE 14 CO 0.43 -0.15 0.72 0.77 -1.23 0.00 0.00 174.94 175.48 2i3s h SER 15 N 8.14 0.09 -5.02 3.58 4.64 -1.59 -3.44 113.55 119.95 2i3s h SER 15 Ca -0.26 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 2i3s h SER 15 Cb 1.11 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 63.04 2i3s h SER 15 CO 0.82 1.15 0.11 -0.62 -0.87 0.00 0.00 176.83 177.42 2i3s s ASP 16 N -6.37 -0.48 -0.04 4.97 2.15 -1.23 -4.76 116.67 110.93 2i3s s ASP 16 Ca -0.07 0.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.93 2i3s s ASP 16 Cb 0.08 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.28 2i3s s ASP 16 CO 0.82 -0.86 0.08 -0.63 -0.17 0.00 0.00 175.17 174.40 2i3s s ILE 17 N -3.27 -0.06 -0.04 4.11 1.01 -1.26 -2.29 121.20 119.40 2i3s s ILE 17 Ca -0.01 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2i3s s ILE 17 Cb -0.00 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.33 2i3s s ILE 17 CO -0.08 0.09 -0.09 -0.54 0.00 0.00 0.00 174.94 174.32 2i3s s LYS 18 N 1.19 1.13 -0.17 2.79 3.01 0.93 -4.76 119.74 123.87 2i3s s LYS 18 Ca -0.08 -0.28 -0.04 0.00 -1.01 0.00 0.00 55.97 54.55 2i3s s LYS 18 Cb -0.12 -1.02 -0.03 0.00 -1.01 0.00 0.00 37.83 35.65 2i3s s LYS 18 CO -0.04 0.04 -0.03 0.42 0.51 0.00 0.00 175.35 176.25 2i3s s ILE 19 N 0.50 3.90 -0.60 2.17 1.01 -1.26 0.11 121.20 127.03 2i3s s ILE 19 Ca -0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 2i3s s ILE 19 Cb -0.12 -2.72 0.15 0.00 0.01 0.00 0.00 42.46 39.78 2i3s s ILE 19 CO 0.01 0.48 0.46 -0.63 0.00 0.00 0.00 174.94 175.26 2i3s s ILE 20 N 0.53 4.31 0.43 2.92 1.01 0.18 -4.94 121.20 125.64 2i3s s ILE 20 Ca -0.03 -2.35 0.12 0.00 0.00 0.00 0.00 60.65 58.40 2i3s s ILE 20 Cb -0.14 -3.79 0.20 0.00 0.01 0.00 0.00 42.46 38.74 2i3s s ILE 20 CO 0.03 -0.86 2.00 1.55 0.00 0.00 0.00 174.94 177.65 2i3s h PRO 21 N 7.81 0.14 0.00 2.79 0.13 -1.95 0.26 132.00 141.18 2i3s h PRO 21 Ca -0.07 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2i3s h PRO 21 Cb 1.02 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2i3s h PRO 21 CO 0.78 0.24 0.00 0.77 -0.23 0.00 0.00 178.00 179.56 2i3s h SER 22 N 0.14 0.00 0.00 1.44 0.02 -1.96 -3.02 113.55 110.17 2i3s h SER 22 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2i3s h SER 22 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2i3s h SER 22 CO 0.01 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.99 2i3s n LYS 23 N -3.04 0.50 -3.76 3.45 4.76 -1.00 -5.01 118.16 114.06 2i3s n LYS 23 Ca -0.01 -0.64 -0.24 0.00 -2.87 0.00 0.00 58.31 54.56 2i3s n LYS 23 Cb 0.19 -0.76 0.03 0.00 -1.84 0.00 0.00 35.03 32.65 2i3s n LYS 23 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2i3s n SER 24 N -0.13 -2.10 -4.56 4.39 7.64 0.72 -4.81 113.62 114.78 2i3s n SER 24 Ca 0.00 -0.81 -0.32 0.00 1.01 0.00 0.00 58.87 58.74 2i3s n SER 24 Cb 0.24 -3.99 -0.11 0.00 -1.01 0.00 0.00 64.21 59.34 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 -6.85 3.04 -0.19 -3.43 1.43 -0.09 -1.34 118.68 111.26 2i3s s LEU 25 Ca 0.18 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2i3s s LEU 25 Cb -0.09 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2i3s s LEU 25 CO 0.82 0.30 -0.12 -0.76 0.23 0.00 0.00 176.35 176.82 2i3s s LEU 26 N -1.21 2.56 -0.33 1.79 1.43 -0.28 0.52 118.68 123.16 2i3s s LEU 26 Ca 0.15 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 2i3s s LEU 26 Cb -0.11 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2i3s s LEU 26 CO 0.05 0.02 0.17 -0.76 0.23 0.00 0.00 176.35 176.06 2i3s s LEU 27 N 1.22 4.27 -0.07 1.79 1.43 0.30 -1.75 118.68 125.87 2i3s s LEU 27 Ca 0.02 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 2i3s s LEU 27 Cb -0.14 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 2i3s s LEU 27 CO -0.05 -0.24 -0.22 -0.63 0.23 0.00 0.00 176.35 175.43 2i3s s ILE 28 N 1.60 1.86 0.13 -0.59 1.01 -0.23 -0.05 121.20 124.93 2i3s s ILE 28 Ca 0.04 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2i3s s ILE 28 Cb -0.18 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2i3s s ILE 28 CO 0.06 0.52 -0.05 0.42 0.00 0.00 0.00 174.94 175.89 2i3s s THR 29 N 0.13 3.57 0.05 2.92 -4.23 -0.97 -0.01 115.64 117.10 2i3s s THR 29 Ca -0.10 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2i3s s THR 29 Cb -0.15 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2i3s s THR 29 CO 0.05 0.03 0.06 -0.55 -0.54 0.00 0.00 174.62 173.67 2i3s s SER 30 N -2.48 0.29 0.00 3.99 0.15 -0.69 -1.71 113.70 113.24 2i3s s SER 30 Ca 0.24 -0.73 0.13 0.00 0.70 0.00 0.00 55.95 56.29 2i3s s SER 30 Cb -0.10 0.23 0.56 0.00 -1.71 0.00 0.00 66.02 65.00 2i3s s SER 30 CO 0.16 -0.57 1.39 0.79 1.20 0.00 0.00 173.24 176.21 2i3s n TRP 31 N 0.41 0.00 1.82 3.44 7.02 -0.36 -1.03 117.44 128.74 2i3s n TRP 31 Ca -0.17 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.45 2i3s n TRP 31 Cb 0.60 -0.45 0.82 0.00 -2.42 0.00 0.00 31.31 29.86 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 -1.45 0.00 0.00 -0.99 3.85 -1.26 -4.03 116.55 112.67 2i3s n ASP 32 Ca 0.04 -0.95 0.00 0.00 -0.71 0.00 0.00 54.79 53.17 2i3s n ASP 32 Cb 0.14 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 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 0.80 0.54 3.72 6.12 0.00 -0.19 -4.81 105.19 111.37 2i3s n GLY 33 Ca 0.21 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.71 5.30 -0.26 1.61 1.04 -1.19 0.44 113.70 117.92 2i3s s SER 34 Ca 0.00 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 2i3s s SER 34 Cb 0.00 -1.41 0.03 0.00 0.10 0.00 0.00 66.02 64.74 2i3s s SER 34 CO 0.00 0.25 -0.05 -0.22 0.98 0.00 0.00 173.24 174.20 2i3s s LEU 35 N -1.82 3.33 -0.09 2.42 2.96 0.24 -1.70 118.68 124.02 2i3s s LEU 35 Ca 0.23 -0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 53.17 2i3s s LEU 35 Cb -0.12 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2i3s s LEU 35 CO 0.14 -0.15 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.09 2i3s s THR 36 N 1.31 4.01 -0.10 3.68 2.01 0.98 -1.52 115.64 126.01 2i3s s THR 36 Ca -0.01 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2i3s s THR 36 Cb -0.17 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2i3s s THR 36 CO -0.04 0.59 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 2i3s s VAL 37 N -0.69 2.31 0.18 3.82 1.01 -0.42 -1.07 120.40 125.55 2i3s s VAL 37 Ca 0.11 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2i3s s VAL 37 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2i3s s VAL 37 CO 0.02 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.21 2i3s s TYR 38 N 0.24 1.70 -0.10 5.22 1.51 -0.72 -1.55 117.35 123.66 2i3s s TYR 38 Ca -0.14 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 2i3s s TYR 38 Cb -0.17 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 2i3s s TYR 38 CO 0.07 0.33 -0.23 0.21 -1.11 0.00 0.00 175.55 174.82 2i3s s LYS 39 N -3.30 2.94 0.11 -0.62 2.47 -0.46 -1.12 119.74 119.77 2i3s s LYS 39 Ca 0.19 -0.84 0.09 0.00 -1.56 0.00 0.00 55.97 53.85 2i3s s LYS 39 Cb -0.03 -2.24 -0.04 0.00 -1.46 0.00 0.00 37.83 34.07 2i3s s LYS 39 CO 0.06 0.16 -0.22 -0.59 0.16 0.00 0.00 175.35 174.92 2i3s s PHE 40 N 0.39 1.89 -0.22 4.03 -0.12 -0.45 -0.21 117.98 123.30 2i3s s PHE 40 Ca -0.18 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.29 2i3s s PHE 40 Cb -0.18 -1.02 0.03 0.00 -0.63 0.00 0.00 43.02 41.22 2i3s s PHE 40 CO 0.08 0.25 -0.14 0.34 -0.05 0.00 0.00 175.22 175.70 2i3s s ASP 41 N -2.02 3.80 0.50 1.98 3.68 0.49 -4.78 116.67 120.32 2i3s s ASP 41 Ca 0.09 -0.87 0.31 0.00 2.13 0.00 0.00 52.55 54.21 2i3s s ASP 41 Cb -0.10 -1.56 1.16 0.00 -1.45 0.00 0.00 42.92 40.98 2i3s s ASP 41 CO 0.05 -0.08 1.90 0.16 0.13 0.00 0.00 175.17 177.33 2i3s h ILE 42 N 6.18 0.00 0.08 4.11 3.07 -1.97 0.37 117.51 129.34 2i3s h ILE 42 Ca -0.36 -0.56 -0.30 0.00 1.55 0.00 0.00 64.86 65.19 2i3s h ILE 42 Cb 1.11 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.17 2i3s h ILE 42 CO 0.58 0.00 -1.63 1.56 -1.05 0.00 0.00 178.15 177.61 2i3s h GLN 43 N 0.00 0.17 -0.00 0.16 1.08 -1.96 -3.36 115.11 111.20 2i3s h GLN 43 Ca 0.00 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2i3s h GLN 43 Cb 0.58 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2i3s h GLN 43 CO 0.00 1.14 -0.15 0.00 -0.95 0.00 0.00 178.83 178.86 2i3s n ALA 44 N -3.15 2.82 -3.91 3.87 0.00 -1.22 -4.94 120.51 113.99 2i3s n ALA 44 Ca -0.31 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2i3s n ALA 44 Cb 0.89 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.09 -4.94 -4.36 0.00 4.01 0.10 -4.97 118.16 106.91 2i3s n LYS 45 Ca 0.12 0.56 -0.18 0.00 -0.51 0.00 0.00 58.31 58.30 2i3s n LYS 45 Cb 0.30 -5.30 -0.10 0.00 -0.51 0.00 0.00 35.03 29.42 2i3s n LYS 45 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2i3s s ASN 46 N -3.62 1.57 -0.06 4.39 4.22 -1.10 -4.94 114.94 115.40 2i3s s ASN 46 Ca 0.48 -1.38 -0.17 0.00 -2.14 0.00 0.00 52.86 49.66 2i3s s ASN 46 Cb -0.24 0.08 0.04 0.00 1.28 0.00 0.00 41.25 42.40 2i3s s ASN 46 CO 0.84 -0.68 0.40 0.54 -2.04 0.00 0.00 177.10 176.16 2i3s s VAL 47 N -3.60 0.03 0.08 3.54 0.11 -1.26 -0.38 120.40 118.92 2i3s s VAL 47 Ca 0.37 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 2i3s s VAL 47 Cb 0.08 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2i3s s VAL 47 CO 0.14 -0.14 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.84 2i3s s ASP 48 N -0.82 1.55 -0.52 3.54 1.01 0.71 -4.97 116.67 117.17 2i3s s ASP 48 Ca -0.09 -0.70 -0.25 0.00 0.71 0.00 0.00 52.55 52.22 2i3s s ASP 48 Cb -0.04 -0.02 0.03 0.00 1.01 0.00 0.00 42.92 43.90 2i3s s ASP 48 CO 0.04 -0.16 0.97 -0.22 0.21 0.00 0.00 175.17 176.01 2i3s s LEU 49 N -2.05 3.97 -0.01 1.23 2.96 -1.26 -1.35 118.68 122.17 2i3s s LEU 49 Ca 0.01 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2i3s s LEU 49 Cb -0.07 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 2i3s s LEU 49 CO 0.01 -1.21 0.22 -0.07 -1.32 0.00 0.00 176.35 173.99 2i3s h LEU 50 N 10.98 -0.03 -7.43 -0.68 4.07 -1.63 -3.49 115.31 117.10 2i3s h LEU 50 Ca -0.25 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.65 2i3s h LEU 50 Cb 1.07 0.01 -0.13 0.00 1.08 0.00 0.00 40.66 42.69 2i3s h LEU 50 CO 1.08 0.03 -0.10 0.00 -1.08 0.00 0.00 178.44 178.37 2i3s s GLN 51 N -1.54 1.05 -0.08 1.13 -2.07 -1.18 -5.02 119.66 111.95 2i3s s GLN 51 Ca -0.00 -0.73 -0.00 0.00 -1.82 0.00 0.00 55.36 52.80 2i3s s GLN 51 Cb 0.00 0.46 0.02 0.00 -1.09 0.00 0.00 33.01 32.40 2i3s s GLN 51 CO 0.01 -0.40 -0.04 -1.12 -1.32 0.00 0.00 175.29 172.42 2i3s s SER 52 N -2.81 1.63 -0.15 12.60 0.01 -1.26 -1.30 113.70 122.42 2i3s s SER 52 Ca 0.03 -0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 2i3s s SER 52 Cb 0.02 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.65 2i3s s SER 52 CO -0.12 -0.12 -0.13 -0.76 0.41 0.00 0.00 173.24 172.52 2i3s s LEU 53 N 1.53 2.67 -0.16 2.44 1.43 -0.57 -4.97 118.68 121.05 2i3s s LEU 53 Ca -0.00 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2i3s s LEU 53 Cb -0.13 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 2i3s s LEU 53 CO -0.04 0.12 -0.07 -0.60 0.23 0.00 0.00 176.35 175.99 2i3s s ARG 54 N 0.60 3.53 0.26 1.70 3.52 -1.26 -0.59 118.95 126.70 2i3s s ARG 54 Ca -0.07 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2i3s s ARG 54 Cb -0.16 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 2i3s s ARG 54 CO 0.03 0.16 0.33 -0.47 -0.81 0.00 0.00 175.30 174.54 2i3s s TYR 55 N 0.55 3.31 0.02 5.12 5.04 0.17 -4.99 117.35 126.57 2i3s s TYR 55 Ca -0.05 -0.08 0.31 0.00 -2.44 0.00 0.00 57.07 54.82 2i3s s TYR 55 Cb -0.15 -1.59 1.47 0.00 0.35 0.00 0.00 41.96 42.04 2i3s s TYR 55 CO 0.03 0.39 1.94 1.57 -1.34 0.00 0.00 175.55 178.15 2i3s h LYS 56 N 1.22 0.00 -6.06 4.97 2.10 -1.94 -3.42 116.57 113.43 2i3s h LYS 56 Ca -0.50 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.61 2i3s h LYS 56 Cb 1.24 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.35 2i3s h LYS 56 CO 0.60 0.00 -0.82 -1.01 -2.00 0.00 0.00 179.45 176.22 2i3s s HIS 57 N -3.66 1.72 0.25 0.07 3.76 -1.26 -5.01 115.29 111.16 2i3s s HIS 57 Ca -0.00 -0.42 -0.30 0.00 -0.15 0.00 0.00 55.06 54.19 2i3s s HIS 57 Cb 0.09 -0.95 -0.14 0.00 1.11 0.00 0.00 32.58 32.69 2i3s s HIS 57 CO 0.41 0.18 1.14 -2.30 -0.85 0.00 0.00 174.74 173.32 2i3s n PRO 58 N 1.14 1.45 -3.69 8.40 -0.02 -1.26 -4.25 135.00 136.77 2i3s n PRO 58 Ca -0.20 0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 2i3s n PRO 58 Cb 0.54 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 2i3s n PRO 58 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2i3s s LEU 59 N 0.37 4.30 -0.07 2.45 1.43 -0.61 -2.40 118.68 124.15 2i3s s LEU 59 Ca 0.64 0.45 0.17 0.00 -1.03 0.00 0.00 54.13 54.37 2i3s s LEU 59 Cb -0.73 -2.22 -0.26 0.00 0.03 0.00 0.00 46.19 43.01 2i3s s LEU 59 CO 0.56 0.24 0.29 0.18 0.23 0.00 0.00 176.35 177.85 2i3s n LEU 60 N 2.93 0.00 -3.82 1.79 4.77 -0.38 -3.83 117.00 118.45 2i3s n LEU 60 Ca -0.16 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 2i3s n LEU 60 Cb 0.53 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2i3s n LEU 60 CO 0.36 0.13 0.62 0.00 -1.33 0.00 0.00 177.39 177.18 2i3s n ASN 63 N -0.26 -1.06 -3.89 0.00 2.85 -0.69 -4.73 115.26 107.48 2i3s n ASN 63 Ca -0.08 -1.61 -0.08 0.00 -0.11 0.00 0.00 54.58 52.70 2i3s n ASN 63 Cb 0.62 1.73 -0.03 0.00 1.24 0.00 0.00 39.78 43.34 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 -4.15 -0.05 -0.21 1.20 -0.12 -1.26 -1.41 117.98 111.98 2i3s s PHE 64 Ca 0.12 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2i3s s PHE 64 Cb -0.02 0.58 0.06 0.00 -0.63 0.00 0.00 43.02 43.01 2i3s s PHE 64 CO 0.04 -1.18 -0.03 0.42 -0.05 0.00 0.00 175.22 174.42 2i3s s ILE 65 N -3.94 1.17 -0.82 -4.49 1.01 -0.83 -4.97 121.20 108.33 2i3s s ILE 65 Ca 0.14 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2i3s s ILE 65 Cb -0.05 -1.49 0.24 0.00 0.01 0.00 0.00 42.46 41.17 2i3s s ILE 65 CO 0.08 -0.10 0.85 -0.67 0.00 0.00 0.00 174.94 175.09 2i3s n ASP 66 N 4.81 4.27 -0.00 3.58 4.64 -1.26 -2.85 116.55 129.74 2i3s n ASP 66 Ca -0.11 -3.29 -0.00 0.00 -1.38 0.00 0.00 54.79 50.01 2i3s n ASP 66 Cb 0.45 -0.92 -0.00 0.00 -1.04 0.00 0.00 41.12 39.61 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 5.22 0.00 0.00 1.67 -1.07 -1.98 -3.48 115.58 115.94 2i3s h ASN 67 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.55 2i3s h ASN 67 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 2i3s h ASN 67 CO 0.91 0.00 0.00 0.35 0.07 0.00 0.00 177.43 178.76 2i3s n THR 68 N -2.05 0.30 -2.72 6.14 -2.24 -1.26 -5.04 114.28 107.40 2i3s n THR 68 Ca -0.00 0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 2i3s n THR 68 Cb 0.00 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.42 2i3s n THR 68 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2i3s s ASP 69 N -4.98 7.51 -0.36 3.42 1.01 -1.26 -5.01 116.67 116.99 2i3s s ASP 69 Ca 0.00 1.84 -0.21 0.00 0.71 0.00 0.00 52.55 54.88 2i3s s ASP 69 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.34 2i3s s ASP 69 CO 0.00 -0.04 0.68 -0.22 0.21 0.00 0.00 175.17 175.80 2i3s s LEU 70 N -0.19 4.23 -0.19 1.23 2.96 -1.26 -4.62 118.68 120.84 2i3s s LEU 70 Ca 0.46 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2i3s s LEU 70 Cb -0.24 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.60 2i3s s LEU 70 CO 0.30 -0.65 -0.13 0.00 -1.32 0.00 0.00 176.35 174.56 2i3s s GLN 71 N 2.84 3.20 0.03 1.98 -2.07 -1.13 -5.00 119.66 119.50 2i3s s GLN 71 Ca 0.26 -0.73 0.01 0.00 -1.82 0.00 0.00 55.36 53.09 2i3s s GLN 71 Cb -0.14 -2.75 -0.04 0.00 -1.09 0.00 0.00 33.01 28.99 2i3s s GLN 71 CO 0.16 -0.14 0.06 0.42 -1.32 0.00 0.00 175.29 174.47 2i3s s ILE 72 N 1.22 4.52 0.02 3.63 1.01 -1.26 -1.96 121.20 128.37 2i3s s ILE 72 Ca 0.02 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2i3s s ILE 72 Cb -0.14 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 2i3s s ILE 72 CO -0.06 0.27 -0.09 -0.31 0.00 0.00 0.00 174.94 174.76 2i3s s TYR 73 N -1.24 0.75 0.13 3.97 1.51 -0.50 -0.71 117.35 121.27 2i3s s TYR 73 Ca 0.24 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.08 2i3s s TYR 73 Cb -0.12 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 2i3s s TYR 73 CO 0.16 -0.02 -0.12 0.14 -1.11 0.00 0.00 175.55 174.60 2i3s s VAL 74 N -0.64 1.20 0.11 0.71 -7.23 -0.21 -1.70 120.40 112.63 2i3s s VAL 74 Ca -0.01 -1.85 0.10 0.00 -1.81 0.00 0.00 61.98 58.41 2i3s s VAL 74 Cb -0.06 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2i3s s VAL 74 CO 0.00 -0.58 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.15 2i3s s GLY 75 N -2.75 1.59 0.40 2.32 0.00 -0.84 -0.15 107.32 107.90 2i3s s GLY 75 Ca 0.12 -1.38 0.07 0.00 0.00 0.00 0.00 44.72 43.53 2i3s s GLY 75 CO 0.02 -1.34 0.08 -0.51 0.00 0.00 0.00 173.10 171.35 2i3s s THR 76 N -1.04 2.19 -0.61 0.90 -4.23 0.39 -1.25 115.64 111.98 2i3s s THR 76 Ca 0.15 -1.87 0.24 0.00 -1.18 0.00 0.00 61.69 59.03 2i3s s THR 76 Cb -0.10 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.01 2i3s s THR 76 CO 0.07 -0.02 1.71 0.55 -0.54 0.00 0.00 174.62 176.39 2i3s n VAL 77 N -1.08 0.75 -0.15 2.29 3.14 -1.01 -1.32 118.33 120.95 2i3s n VAL 77 Ca -0.03 0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.52 2i3s n VAL 77 Cb 0.65 -0.98 0.28 0.00 -1.06 0.00 0.00 33.84 32.74 2i3s n VAL 77 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i3s n GLN 78 N -2.15 3.20 -0.88 1.45 1.13 -1.26 -2.89 117.38 115.99 2i3s n GLN 78 Ca 0.03 -2.24 0.00 0.00 -1.94 0.00 0.00 57.00 52.85 2i3s n GLN 78 Cb 0.28 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.84 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 0.92 0.75 3.83 1.08 0.00 -0.97 -4.78 105.19 106.02 2i3s n GLY 79 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.12 4.10 -0.18 1.61 2.02 -1.26 -4.64 118.70 120.23 2i3s s GLU 80 Ca 0.00 0.68 -0.01 0.00 0.02 0.00 0.00 54.97 55.65 2i3s s GLU 80 Cb 0.00 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.40 2i3s s GLU 80 CO 0.00 0.39 -0.12 0.42 0.02 0.00 0.00 175.26 175.97 2i3s s ILE 81 N -1.58 2.84 -0.04 -1.63 1.01 -1.26 -0.46 121.20 120.08 2i3s s ILE 81 Ca 0.43 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.45 2i3s s ILE 81 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2i3s s ILE 81 CO 0.20 0.49 -0.22 -0.76 0.00 0.00 0.00 174.94 174.65 2i3s s LEU 82 N 1.06 2.27 -0.11 2.97 1.43 0.79 -0.86 118.68 126.23 2i3s s LEU 82 Ca -0.00 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 2i3s s LEU 82 Cb -0.15 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2i3s s LEU 82 CO -0.03 0.31 0.53 -0.75 0.23 0.00 0.00 176.35 176.64 2i3s s LYS 83 N -0.55 4.36 -0.16 1.70 2.20 -0.07 -1.05 119.74 126.16 2i3s s LYS 83 Ca 0.08 0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 56.15 2i3s s LYS 83 Cb -0.11 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 2i3s s LYS 83 CO 0.00 0.12 0.15 0.08 -0.36 0.00 0.00 175.35 175.34 2i3s s VAL 84 N 0.71 5.45 -0.34 4.02 1.01 0.11 -1.41 120.40 129.95 2i3s s VAL 84 Ca 0.29 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2i3s s VAL 84 Cb -0.16 -3.45 0.09 0.00 0.00 0.00 0.00 36.38 32.86 2i3s s VAL 84 CO 0.12 0.53 0.06 -0.62 0.00 0.00 0.00 175.10 175.19 2i3s s ASP 85 N -0.32 4.90 0.00 3.32 2.15 0.04 -4.32 116.67 122.43 2i3s s ASP 85 Ca 0.12 -1.83 0.20 0.00 0.43 0.00 0.00 52.55 51.47 2i3s s ASP 85 Cb -0.12 -1.70 0.84 0.00 -0.30 0.00 0.00 42.92 41.65 2i3s s ASP 85 CO 0.01 -0.38 1.63 0.00 -0.17 0.00 0.00 175.17 176.27 2i3s n LEU 86 N 4.46 0.01 -0.01 -1.34 -0.00 -1.26 -4.37 117.00 114.49 2i3s n LEU 86 Ca -0.04 0.50 -0.02 0.00 -0.00 0.00 0.00 56.01 56.45 2i3s n LEU 86 Cb 0.42 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 43.33 2i3s n LEU 86 CO 0.26 -0.17 -0.14 -0.38 -0.00 0.00 0.00 177.39 176.97 2i3s n ILE 87 N -1.51 0.61 -1.85 1.47 2.08 -1.26 -5.10 119.36 113.80 2i3s n ILE 87 Ca 0.05 0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.61 2i3s n ILE 87 Cb 0.23 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 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 2.58 0.29 3.47 7.39 0.00 -1.26 -5.05 105.19 112.61 2i3s n GLY 88 Ca -0.03 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2i3s n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i3s s SER 89 N -1.00 3.87 0.42 1.61 0.15 -1.26 -3.79 113.70 113.69 2i3s s SER 89 Ca 0.00 -0.39 -0.22 0.00 0.70 0.00 0.00 55.95 56.04 2i3s s SER 89 Cb 0.00 -0.66 -0.10 0.00 -1.71 0.00 0.00 66.02 63.55 2i3s s SER 89 CO 0.00 0.26 0.97 -2.16 1.20 0.00 0.00 173.24 173.51 2i3s s PRO 90 N -1.40 4.22 0.38 5.44 0.04 -1.26 -5.09 135.00 137.33 2i3s s PRO 90 Ca 0.15 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.49 2i3s s PRO 90 Cb -0.11 -2.30 0.75 0.00 0.04 0.00 0.00 34.50 32.88 2i3s s PRO 90 CO 0.05 -0.04 1.92 0.77 0.04 0.00 0.00 177.00 179.74 2i3s h SER 91 N 2.12 0.32 -4.00 6.66 0.02 -1.77 -3.40 113.55 113.50 2i3s h SER 91 Ca -0.49 -0.06 -0.59 0.00 -0.84 0.00 0.00 61.79 59.81 2i3s h SER 91 Cb 1.19 -0.08 -0.31 0.00 0.14 0.00 0.00 62.40 63.34 2i3s h SER 91 CO 0.61 0.42 -0.85 -0.36 -1.14 0.00 0.00 176.83 175.52 2i3s s PHE 92 N -4.87 1.87 -0.19 3.45 0.40 -1.26 -0.78 117.98 116.60 2i3s s PHE 92 Ca -0.06 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.73 2i3s s PHE 92 Cb 0.16 -1.25 0.05 0.00 0.51 0.00 0.00 43.02 42.50 2i3s s PHE 92 CO 0.74 -0.16 -0.00 -1.14 0.70 0.00 0.00 175.22 175.36 2i3s s GLN 93 N -0.08 1.01 0.35 0.44 0.74 -0.50 -4.94 119.66 116.69 2i3s s GLN 93 Ca -0.02 -0.54 -0.28 0.00 0.05 0.00 0.00 55.36 54.56 2i3s s GLN 93 Cb -0.11 -2.14 -0.11 0.00 1.10 0.00 0.00 33.01 31.75 2i3s s GLN 93 CO 0.02 -0.58 1.40 0.00 -0.55 0.00 0.00 175.29 175.58 2i3s s ALA 94 N 1.72 3.54 0.15 1.58 0.00 -1.26 -0.90 121.76 126.59 2i3s s ALA 94 Ca -0.02 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 2i3s s ALA 94 Cb -0.17 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 2i3s s ALA 94 CO -0.07 -0.86 0.59 -0.51 0.00 0.00 0.00 175.76 174.91 2i3s s LEU 95 N -1.93 4.37 0.80 0.00 1.43 -0.04 -4.90 118.68 118.41 2i3s s LEU 95 Ca 0.51 1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 2i3s s LEU 95 Cb -0.43 -3.27 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2i3s s LEU 95 CO 0.58 0.12 1.14 0.42 0.23 0.00 0.00 176.35 178.84 2i3s s THR 96 N -1.42 2.11 -2.03 5.49 -4.23 -0.57 -4.28 115.64 110.70 2i3s s THR 96 Ca 0.37 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2i3s s THR 96 Cb -0.16 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2i3s s THR 96 CO 0.19 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.86 2i3s n ASN 97 N -3.25 -5.37 -4.62 3.99 3.02 -1.26 -2.16 115.26 105.60 2i3s n ASN 97 Ca 0.11 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.62 2i3s n ASN 97 Cb 0.60 -4.70 -0.04 0.00 -0.61 0.00 0.00 39.78 35.03 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 -2.55 6.73 -0.02 6.41 3.84 -1.26 -4.59 114.94 123.50 2i3s s ASN 98 Ca 0.00 0.78 0.20 0.00 0.21 0.00 0.00 52.86 54.04 2i3s s ASN 98 Cb 0.00 -2.44 0.60 0.00 -0.55 0.00 0.00 41.25 38.86 2i3s s ASN 98 CO 0.00 -0.65 1.50 -0.62 -2.79 0.00 0.00 177.10 174.54 2i3s n GLU 99 N 6.31 2.73 -2.32 0.43 1.02 -1.26 -4.97 120.64 122.57 2i3s n GLU 99 Ca 0.05 -2.43 -0.42 0.00 -0.02 0.00 0.00 57.16 54.35 2i3s n GLU 99 Cb 0.48 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.26 3.47 -1.04 0.62 0.00 -1.26 -4.91 121.76 117.38 2i3s s ALA 100 Ca 0.45 0.98 0.13 0.00 0.00 0.00 0.00 51.96 53.52 2i3s s ALA 100 Cb 0.24 -3.45 0.38 0.00 0.00 0.00 0.00 23.12 20.29 2i3s s ALA 100 CO 0.29 -0.46 1.31 0.09 0.00 0.00 0.00 175.76 176.99 2i3s n ASN 101 N 3.10 3.17 -4.02 0.00 3.02 -1.26 -4.81 115.26 114.46 2i3s n ASN 101 Ca 0.07 -2.06 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 2i3s n ASN 101 Cb 0.44 -0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.11 0.74 0.50 3.41 1.43 -1.26 -4.95 118.68 117.44 2i3s s LEU 102 Ca 0.28 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.00 2i3s s LEU 102 Cb 0.16 1.15 -0.09 0.00 0.03 0.00 0.00 46.19 47.43 2i3s s LEU 102 CO 0.18 -1.02 0.83 0.61 0.23 0.00 0.00 176.35 177.18 2i3s n GLY 103 N -0.35 -0.68 3.56 -3.19 0.00 -1.14 -3.37 105.19 100.01 2i3s n GLY 103 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.46 4.56 -0.15 -0.61 -1.09 -0.43 -1.09 121.20 120.92 2i3s s ILE 104 Ca 0.68 0.68 0.17 0.00 -2.23 0.00 0.00 60.65 59.94 2i3s s ILE 104 Cb -0.50 -4.37 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 2i3s s ILE 104 CO 0.54 -0.74 1.10 0.00 -1.23 0.00 0.00 174.94 174.60 2i3s s ARG 106 N -2.98 0.68 -0.21 0.00 1.81 -1.17 -4.73 118.95 112.35 2i3s s ARG 106 Ca 0.00 -0.15 -0.03 0.00 -1.72 0.00 0.00 55.73 53.83 2i3s s ARG 106 Cb 0.08 0.30 0.07 0.00 -0.45 0.00 0.00 34.95 34.95 2i3s s ARG 106 CO 0.78 -0.19 0.07 0.42 -0.68 0.00 0.00 175.30 175.70 2i3s s ILE 107 N -1.28 0.30 0.37 1.52 1.01 -1.26 -0.85 121.20 121.01 2i3s s ILE 107 Ca -0.13 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.07 2i3s s ILE 107 Cb -0.05 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2i3s s ILE 107 CO 0.04 -0.32 0.22 0.00 0.00 0.00 0.00 174.94 174.89 2i3s s LYS 109 N -3.94 4.20 -0.37 0.00 1.02 -1.26 -0.95 119.74 118.44 2i3s s LYS 109 Ca 0.41 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.79 2i3s s LYS 109 Cb -0.02 -2.46 0.12 0.00 -0.52 0.00 0.00 37.83 34.95 2i3s s LYS 109 CO 0.24 -0.09 0.18 -0.47 -0.92 0.00 0.00 175.35 174.30 2i3s s TYR 110 N -1.79 1.52 0.00 3.18 6.04 -0.45 -4.67 117.35 121.18 2i3s s TYR 110 Ca 0.58 -1.96 0.00 0.00 0.04 0.00 0.00 57.07 55.74 2i3s s TYR 110 Cb -0.18 -1.56 0.00 0.00 -1.04 0.00 0.00 41.96 39.18 2i3s s TYR 110 CO 0.23 -0.82 0.00 0.41 -1.54 0.00 0.00 175.55 173.83 2i3s n GLY 111 N 4.13 -0.05 0.68 8.97 0.00 -1.26 -2.24 105.19 115.41 2i3s n GLY 111 Ca 0.05 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.06 2.64 0.00 1.61 5.68 -1.26 -4.56 116.55 119.61 2i3s n ASP 112 Ca 0.00 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2i3s n ASP 112 Cb 0.00 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 0.78 0.31 -4.19 -1.12 5.75 -1.25 -4.78 116.55 112.06 2i3s n ASP 113 Ca 0.11 -0.80 -0.22 0.00 -0.01 0.00 0.00 54.79 53.87 2i3s n ASP 113 Cb 0.41 0.11 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.11 1.71 0.01 0.11 1.02 -0.95 -4.49 119.74 117.04 2i3s s LYS 114 Ca 0.00 -1.99 -0.03 0.00 0.02 0.00 0.00 55.97 53.96 2i3s s LYS 114 Cb 0.00 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2i3s s LYS 114 CO 0.00 -0.38 0.04 -0.51 -0.92 0.00 0.00 175.35 173.59 2i3s s LEU 115 N -3.48 1.94 -0.08 3.17 1.43 -0.29 -1.34 118.68 120.03 2i3s s LEU 115 Ca 0.32 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2i3s s LEU 115 Cb 0.05 0.36 0.01 0.00 0.03 0.00 0.00 46.19 46.65 2i3s s LEU 115 CO 0.15 -0.34 -0.14 -0.63 0.23 0.00 0.00 176.35 175.62 2i3s s ILE 116 N -1.52 1.29 0.15 -0.59 1.01 -0.12 0.62 121.20 122.04 2i3s s ILE 116 Ca -0.15 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2i3s s ILE 116 Cb -0.08 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2i3s s ILE 116 CO -0.00 0.39 0.06 0.00 0.00 0.00 0.00 174.94 175.39 2i3s s ALA 117 N 0.76 3.39 0.03 9.38 0.00 0.11 -0.21 121.76 135.23 2i3s s ALA 117 Ca -0.12 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.64 2i3s s ALA 117 Cb -0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2i3s s ALA 117 CO 0.03 0.53 -0.15 0.00 0.00 0.00 0.00 175.76 176.17 2i3s s ALA 118 N -1.67 1.25 0.22 0.00 0.00 -0.03 -0.82 121.76 120.71 2i3s s ALA 118 Ca 0.29 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2i3s s ALA 118 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2i3s s ALA 118 CO 0.21 0.26 -0.14 -1.54 0.00 0.00 0.00 175.76 174.54 2i3s s SER 119 N -1.01 3.94 0.36 0.00 1.04 -0.37 -1.02 113.70 116.64 2i3s s SER 119 Ca 0.03 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.76 2i3s s SER 119 Cb -0.08 -0.53 0.73 0.00 0.10 0.00 0.00 66.02 66.25 2i3s s SER 119 CO 0.01 0.08 1.96 -0.50 0.98 0.00 0.00 173.24 175.77 2i3s h TRP 120 N 2.71 0.78 0.00 5.02 6.55 -1.28 -2.00 115.95 127.74 2i3s h TRP 120 Ca -0.45 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.41 2i3s h TRP 120 Cb 1.22 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 29.27 2i3s h TRP 120 CO 0.70 0.41 0.00 -0.40 -1.05 0.00 0.00 178.44 178.10 2i3s n ASP 121 N -4.48 0.40 0.00 -3.49 5.75 -1.26 -2.32 116.55 111.15 2i3s n ASP 121 Ca 0.11 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 2i3s n ASP 121 Cb 0.22 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.19 0.67 3.82 6.12 0.00 -0.75 -4.89 105.19 110.35 2i3s n GLY 122 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 4.20 -0.23 0.99 1.02 -1.24 -1.82 118.68 121.60 2i3s s LEU 123 Ca 0.00 0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.54 2i3s s LEU 123 Cb 0.00 -2.02 0.04 0.00 0.02 0.00 0.00 46.19 44.23 2i3s s LEU 123 CO 0.00 0.37 -0.15 -0.63 0.02 0.00 0.00 176.35 175.96 2i3s s ILE 124 N -0.80 2.13 -0.03 -0.59 1.01 -0.67 -1.23 121.20 121.02 2i3s s ILE 124 Ca 0.13 -1.35 0.07 0.00 0.00 0.00 0.00 60.65 59.50 2i3s s ILE 124 Cb -0.12 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 2i3s s ILE 124 CO 0.03 0.20 -0.24 -1.61 0.00 0.00 0.00 174.94 173.32 2i3s s GLU 125 N 1.18 2.13 -0.05 2.79 2.02 0.00 -2.66 118.70 124.11 2i3s s GLU 125 Ca -0.03 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 53.94 2i3s s GLU 125 Cb -0.17 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 2i3s s GLU 125 CO -0.08 0.44 0.47 0.08 0.02 0.00 0.00 175.26 176.19 2i3s s VAL 126 N -0.37 5.07 -0.32 2.63 1.01 0.71 -0.71 120.40 128.42 2i3s s VAL 126 Ca 0.04 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 2i3s s VAL 126 Cb -0.11 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2i3s s VAL 126 CO 0.01 0.44 0.11 -0.63 0.00 0.00 0.00 175.10 175.03 2i3s s ILE 127 N -0.18 3.95 -0.45 2.22 1.01 0.20 -1.98 121.20 125.97 2i3s s ILE 127 Ca 0.26 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2i3s s ILE 127 Cb -0.16 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.30 2i3s s ILE 127 CO 0.13 -0.08 0.28 -0.62 0.00 0.00 0.00 174.94 174.64 2i3s s ASP 128 N 1.46 3.32 0.17 3.58 -1.08 -1.26 -1.13 116.67 121.73 2i3s s ASP 128 Ca 0.00 -2.76 -0.18 0.00 -0.52 0.00 0.00 52.55 49.10 2i3s s ASP 128 Cb -0.18 -0.91 0.11 0.00 -1.46 0.00 0.00 42.92 40.48 2i3s s ASP 128 CO 0.03 -0.24 1.64 -0.65 0.52 0.00 0.00 175.17 176.47 2i3s h PRO 129 N 6.46 -0.09 -0.72 4.34 0.11 -1.78 -1.61 132.00 138.71 2i3s h PRO 129 Ca 0.06 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.29 2i3s h PRO 129 Cb 0.91 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.92 2i3s h PRO 129 CO 0.46 -0.06 -0.40 -0.09 -0.21 0.00 0.00 178.00 177.70 2i3s h ARG 130 N -0.09 -0.13 0.00 1.05 2.43 -1.95 -3.15 114.38 112.54 2i3s h ARG 130 Ca 0.20 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2i3s h ARG 130 Cb 0.41 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2i3s h ARG 130 CO -0.48 -0.09 0.00 0.09 -1.51 0.00 0.00 179.97 177.98 2i3s n ASN 131 N -5.42 0.00 -4.61 -3.80 3.02 -1.09 -4.81 115.26 98.55 2i3s n ASN 131 Ca 0.05 0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 2i3s n ASN 131 Cb 0.36 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.45 2i3s n ASN 131 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2i3s s TYR 132 N -0.02 3.25 -2.25 3.10 5.04 -0.63 -4.96 117.35 120.89 2i3s s TYR 132 Ca 0.00 0.53 0.25 0.00 -2.44 0.00 0.00 57.07 55.41 2i3s s TYR 132 Cb 0.00 -2.67 0.46 0.00 0.35 0.00 0.00 41.96 40.10 2i3s s TYR 132 CO 0.00 -0.27 1.39 0.41 -1.34 0.00 0.00 175.55 175.74 2i3s n GLY 133 N 4.53 0.04 0.02 8.97 0.00 -1.19 -3.43 105.19 114.12 2i3s n GLY 133 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.12 1.16 -3.20 1.61 9.92 -1.26 -4.95 116.55 119.95 2i3s n ASP 134 Ca 0.13 -1.64 -0.12 0.00 -0.53 0.00 0.00 54.79 52.63 2i3s n ASP 134 Cb 0.44 -0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 40.88 2i3s n ASP 134 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2i3s s GLY 135 N -0.66 0.96 0.00 0.44 0.00 -1.26 -1.52 107.32 105.28 2i3s s GLY 135 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2i3s s GLY 135 CO 0.00 -0.69 0.00 3.33 0.00 0.00 0.00 173.10 175.74 2i3s n VAL 136 N -0.54 0.00 -3.43 1.40 0.24 -0.92 -4.51 118.33 110.58 2i3s n VAL 136 Ca -0.03 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2i3s n VAL 136 Cb 0.61 -0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 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 1.11 -0.84 -1.26 1.34 1.01 -0.84 -4.87 121.20 116.85 2i3s s ILE 137 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 2i3s s ILE 137 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2i3s s ILE 137 CO 0.00 0.00 1.96 0.00 0.00 0.00 0.00 174.94 176.90 2i3s n ALA 138 N 5.35 3.94 0.26 9.38 0.00 -1.26 -0.21 120.51 137.97 2i3s n ALA 138 Ca -0.08 -3.67 0.10 0.00 0.00 0.00 0.00 53.44 49.79 2i3s n ALA 138 Cb 0.51 -3.57 0.71 0.00 0.00 0.00 0.00 19.45 17.09 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 4.98 0.82 -3.80 0.00 2.07 -1.89 -3.43 116.25 115.00 2i3s h VAL 139 Ca 0.45 -0.23 -0.21 0.00 0.82 0.00 0.00 66.70 67.53 2i3s h VAL 139 Cb 0.78 1.13 -0.26 0.00 -1.52 0.00 0.00 31.29 31.41 2i3s h VAL 139 CO 1.64 0.06 -0.71 -0.54 0.02 0.00 0.00 177.57 178.03 2i3s s LYS 140 N -4.70 0.08 -0.30 1.57 -0.14 -1.09 -5.03 119.74 110.13 2i3s s LYS 140 Ca -0.04 -0.16 -0.02 0.00 -1.36 0.00 0.00 55.97 54.38 2i3s s LYS 140 Cb 0.16 0.03 0.10 0.00 -1.68 0.00 0.00 37.83 36.43 2i3s s LYS 140 CO 0.63 -0.01 0.11 1.21 -0.76 0.00 0.00 175.35 176.52 2i3s s ASN 141 N -0.38 3.81 0.09 2.83 3.84 -1.26 -1.67 114.94 122.20 2i3s s ASN 141 Ca -0.04 -1.48 0.04 0.00 0.21 0.00 0.00 52.86 51.58 2i3s s ASN 141 Cb -0.03 -0.68 0.22 0.00 -0.55 0.00 0.00 41.25 40.21 2i3s s ASN 141 CO -0.00 -0.42 0.97 0.18 -2.79 0.00 0.00 177.10 175.04 2i3s n LEU 142 N 4.99 0.10 -2.11 3.21 4.32 -0.75 -2.08 117.00 124.68 2i3s n LEU 142 Ca -0.04 0.40 -0.27 0.00 -0.02 0.00 0.00 56.01 56.08 2i3s n LEU 142 Cb 0.42 -0.39 0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2i3s n LEU 142 CO 0.09 -0.44 0.51 0.59 -1.22 0.00 0.00 177.39 176.93 2i3s n ASN 143 N -1.54 5.65 -1.73 -1.43 3.02 -1.26 -4.82 115.26 113.15 2i3s n ASN 143 Ca -0.00 -3.76 -0.14 0.00 -0.03 0.00 0.00 54.58 50.65 2i3s n ASN 143 Cb 0.20 -0.51 0.06 0.00 -0.61 0.00 0.00 39.78 38.92 2i3s n ASN 143 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2i3s n SER 144 N -0.76 4.92 0.00 6.41 7.64 -0.89 -5.09 113.62 125.86 2i3s n SER 144 Ca 0.49 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 57.46 2i3s n SER 144 Cb 0.88 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2i3s n SER 144 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2i3s n LYS 150 N 0.06 0.00 -3.36 1.43 5.02 -1.26 -5.18 118.16 114.87 2i3s n LYS 150 Ca 0.29 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.22 2i3s n LYS 150 Cb 0.81 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.76 2i3s n LYS 150 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2i3s s ASN 151 N 0.00 6.86 0.17 4.39 0.02 -1.26 -4.97 114.94 120.15 2i3s s ASN 151 Ca 0.00 1.09 0.05 0.00 -1.02 0.00 0.00 52.86 52.99 2i3s s ASN 151 Cb 0.00 -2.29 -0.05 0.00 0.02 0.00 0.00 41.25 38.93 2i3s s ASN 151 CO 0.00 0.14 -0.10 -0.54 0.02 0.00 0.00 177.10 176.62 2i3s s LYS 152 N -1.79 1.15 -0.17 -0.60 1.02 -1.26 -4.18 119.74 113.90 2i3s s LYS 152 Ca 0.36 -1.51 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 2i3s s LYS 152 Cb -0.16 -0.75 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 2i3s s LYS 152 CO 0.19 0.09 -0.08 0.42 -0.92 0.00 0.00 175.35 175.04 2i3s s ILE 153 N -3.24 3.25 -0.06 2.17 1.01 -0.98 -3.37 121.20 119.99 2i3s s ILE 153 Ca 0.19 -0.56 0.15 0.00 0.00 0.00 0.00 60.65 60.43 2i3s s ILE 153 Cb 0.02 -2.43 -0.23 0.00 0.01 0.00 0.00 42.46 39.83 2i3s s ILE 153 CO 0.03 0.48 0.27 0.49 0.00 0.00 0.00 174.94 176.20 2i3s n PHE 154 N 4.12 0.00 -3.61 3.97 0.99 -0.14 -4.19 117.46 118.60 2i3s n PHE 154 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.18 2i3s n PHE 154 Cb 0.52 -0.48 -0.02 0.00 -1.00 0.00 0.00 39.48 38.50 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 -2.90 0.00 0.02 4.37 -1.32 -1.18 -4.95 115.64 109.67 2i3s s THR 155 Ca -0.06 -0.39 -0.25 0.00 -1.21 0.00 0.00 61.69 59.78 2i3s s THR 155 Cb 0.09 -1.43 0.06 0.00 -1.51 0.00 0.00 72.50 69.70 2i3s s THR 155 CO 0.65 0.00 0.57 -0.32 -2.21 0.00 0.00 174.62 173.31 2i3s s MET 156 N -3.64 1.04 0.05 7.08 1.75 -1.26 -1.53 119.30 122.78 2i3s s MET 156 Ca 0.06 -0.07 -0.13 0.00 -1.25 0.00 0.00 55.69 54.30 2i3s s MET 156 Cb -0.03 0.48 0.02 0.00 2.84 0.00 0.00 34.83 38.14 2i3s s MET 156 CO -0.04 -0.36 0.30 0.34 -0.65 0.00 0.00 175.02 174.60 2i3s s ASP 157 N -1.70 -0.11 0.04 1.11 2.15 0.37 -4.89 116.67 113.64 2i3s s ASP 157 Ca -0.08 -0.24 -0.10 0.00 0.43 0.00 0.00 52.55 52.56 2i3s s ASP 157 Cb -0.01 0.36 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 2i3s s ASP 157 CO 0.02 -0.64 0.21 0.42 -0.17 0.00 0.00 175.17 175.01 2i3s s THR 158 N -2.75 0.11 0.03 1.71 -4.23 -1.26 -0.23 115.64 109.02 2i3s s THR 158 Ca -0.04 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2i3s s THR 158 Cb -0.00 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.89 2i3s s THR 158 CO -0.05 -0.48 0.02 -0.46 -0.54 0.00 0.00 174.62 173.11 2i3s n ASN 159 N 0.61 0.03 0.23 3.99 0.23 -0.37 -4.93 115.26 115.05 2i3s n ASN 159 Ca -0.18 -1.18 0.16 0.00 -0.53 0.00 0.00 54.58 52.84 2i3s n ASN 159 Cb 0.59 0.13 0.76 0.00 -2.08 0.00 0.00 39.78 39.19 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 0.17 0.00 0.00 0.53 4.64 -1.97 -3.28 113.55 113.64 2i3s h SER 160 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2i3s h SER 160 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2i3s h SER 160 CO 0.03 0.00 -0.37 -1.54 -0.87 0.00 0.00 176.83 174.08 2i3s n SER 161 N -2.65 1.85 -3.94 4.97 3.41 -1.26 -4.59 113.62 111.40 2i3s n SER 161 Ca -0.01 -0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.28 2i3s n SER 161 Cb 0.15 0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 64.83 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 -1.20 0.46 -0.08 4.33 0.52 -1.24 -0.36 118.95 121.37 2i3s s ARG 162 Ca 0.00 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2i3s s ARG 162 Cb 0.00 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.66 2i3s s ARG 162 CO 0.00 -0.10 -0.17 -1.17 0.02 0.00 0.00 175.30 173.87 2i3s s LEU 163 N -1.74 1.84 0.03 2.53 0.20 -0.49 -1.24 118.68 119.81 2i3s s LEU 163 Ca -0.11 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.34 2i3s s LEU 163 Cb -0.05 -1.09 -0.02 0.00 -0.43 0.00 0.00 46.19 44.59 2i3s s LEU 163 CO -0.02 0.09 -0.13 -0.51 -0.29 0.00 0.00 176.35 175.49 2i3s s ILE 164 N 0.55 0.99 0.05 6.68 2.07 0.69 -1.13 121.20 131.09 2i3s s ILE 164 Ca -0.16 -0.89 0.06 0.00 -1.41 0.00 0.00 60.65 58.24 2i3s s ILE 164 Cb -0.17 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 2i3s s ILE 164 CO 0.06 0.01 -0.16 0.68 -1.91 0.00 0.00 174.94 173.62 2i3s s VAL 165 N -0.78 1.25 -0.23 4.00 -7.23 -0.59 -0.48 120.40 116.34 2i3s s VAL 165 Ca 0.01 -1.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.98 2i3s s VAL 165 Cb -0.07 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 2i3s s VAL 165 CO 0.01 0.02 0.13 -0.83 -0.31 0.00 0.00 175.10 174.12 2i3s s GLY 166 N -1.25 1.93 0.24 2.32 0.00 -0.58 -2.10 107.32 107.88 2i3s s GLY 166 Ca 0.03 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2i3s s GLY 166 CO 0.02 0.38 0.08 1.03 0.00 0.00 0.00 173.10 174.61 2i3s n MET 167 N 4.33 1.30 -1.17 2.90 2.81 -0.36 -0.97 117.12 125.96 2i3s n MET 167 Ca -0.15 -1.65 -0.29 0.00 -1.81 0.00 0.00 57.70 53.80 2i3s n MET 167 Cb 0.52 0.33 0.17 0.00 -0.71 0.00 0.00 33.22 33.53 2i3s n MET 167 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2i3s s ASN 168 N -2.37 2.85 -1.30 7.83 4.22 -1.22 -3.62 114.94 121.33 2i3s s ASN 168 Ca 0.06 1.29 0.00 0.00 -2.14 0.00 0.00 52.86 52.07 2i3s s ASN 168 Cb -0.00 -1.96 0.00 0.00 1.28 0.00 0.00 41.25 40.56 2i3s s ASN 168 CO 0.04 -3.01 0.00 0.59 -2.04 0.00 0.00 177.10 172.68 2i3s n ASN 169 N -4.10 -4.42 -4.17 3.54 3.02 -1.26 -3.68 115.26 104.18 2i3s n ASN 169 Ca 0.06 0.23 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 2i3s n ASN 169 Cb 0.56 -3.20 -0.06 0.00 -0.61 0.00 0.00 39.78 36.47 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 -0.18 -0.14 -4.18 6.41 2.88 -1.24 -4.96 113.62 112.21 2i3s n SER 170 Ca -0.14 -1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 56.15 2i3s n SER 170 Cb 0.47 -2.30 -0.10 0.00 -0.75 0.00 0.00 64.21 61.53 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 -6.99 0.87 0.34 -1.46 -2.07 -1.24 -3.35 119.66 105.74 2i3s s GLN 171 Ca 0.13 -1.31 0.09 0.00 -1.82 0.00 0.00 55.36 52.44 2i3s s GLN 171 Cb -0.07 -0.33 -0.05 0.00 -1.09 0.00 0.00 33.01 31.47 2i3s s GLN 171 CO 0.95 0.01 0.01 0.14 -1.32 0.00 0.00 175.29 175.09 2i3s s VAL 172 N -3.34 2.67 -0.11 3.63 -7.23 -0.35 -1.22 120.40 114.45 2i3s s VAL 172 Ca 0.11 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 2i3s s VAL 172 Cb 0.03 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.22 2i3s s VAL 172 CO -0.03 -0.21 0.28 -1.58 -0.31 0.00 0.00 175.10 173.25 2i3s s GLN 173 N -3.72 0.26 0.11 4.82 0.74 -0.89 -1.22 119.66 119.77 2i3s s GLN 173 Ca 0.35 0.53 0.05 0.00 0.05 0.00 0.00 55.36 56.34 2i3s s GLN 173 Cb -0.01 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 2i3s s GLN 173 CO 0.19 -0.13 -0.13 1.67 -0.55 0.00 0.00 175.29 176.34 2i3s s TRP 174 N 1.00 1.33 0.16 1.67 1.48 -0.34 -1.54 118.94 122.69 2i3s s TRP 174 Ca -0.07 -0.56 0.06 0.00 -1.06 0.00 0.00 56.10 54.47 2i3s s TRP 174 Cb -0.08 -0.70 -0.04 0.00 -1.16 0.00 0.00 33.47 31.48 2i3s s TRP 174 CO -0.07 0.11 -0.14 -0.06 -4.06 0.00 0.00 176.95 172.73 2i3s s PHE 175 N -2.09 1.51 0.36 1.66 0.40 -0.28 -0.60 117.98 118.94 2i3s s PHE 175 Ca 0.07 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 2i3s s PHE 175 Cb -0.05 -0.75 -0.07 0.00 0.51 0.00 0.00 43.02 42.66 2i3s s PHE 175 CO 0.02 0.22 0.73 -0.98 0.70 0.00 0.00 175.22 175.91 2i3s s ARG 176 N -3.18 3.82 -0.01 0.44 1.70 -1.26 -1.40 118.95 119.06 2i3s s ARG 176 Ca 0.15 0.47 0.06 0.00 -0.47 0.00 0.00 55.73 55.95 2i3s s ARG 176 Cb -0.02 -2.44 -0.02 0.00 -0.57 0.00 0.00 34.95 31.90 2i3s s ARG 176 CO 0.04 0.06 -0.21 -0.51 -1.08 0.00 0.00 175.30 173.60 2i3s s LEU 177 N -3.54 2.05 0.78 -1.89 1.43 0.51 -3.45 118.68 114.58 2i3s s LEU 177 Ca 0.51 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 2i3s s LEU 177 Cb -0.10 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.11 2i3s s LEU 177 CO 0.27 0.25 1.12 -2.65 0.23 0.00 0.00 176.35 175.57 2i3s n PRO 178 N 2.52 0.30 -1.78 1.29 -0.02 -1.26 -4.43 135.00 131.62 2i3s n PRO 178 Ca -0.15 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 2i3s n PRO 178 Cb 0.53 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 -4.82 3.91 -0.07 2.45 1.43 -1.22 -5.03 118.68 115.34 2i3s s LEU 179 Ca 0.73 2.81 0.01 0.00 -1.03 0.00 0.00 54.13 56.65 2i3s s LEU 179 Cb -0.31 -4.20 0.02 0.00 0.03 0.00 0.00 46.19 41.74 2i3s s LEU 179 CO 0.51 -1.49 -0.07 0.00 0.23 0.00 0.00 176.35 175.53 2i3s h GLU 181 N 7.44 0.18 0.00 0.00 3.07 -1.95 0.20 114.58 123.52 2i3s h GLU 181 Ca -0.32 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2i3s h GLU 181 Cb 1.16 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2i3s h GLU 181 CO 0.43 0.12 0.00 -0.25 -1.40 0.00 0.00 179.01 177.91 2i3s n ASP 182 N -4.44 0.33 -4.54 1.42 9.92 -1.26 -4.60 116.55 113.38 2i3s n ASP 182 Ca 0.08 0.58 -0.43 0.00 -0.53 0.00 0.00 54.79 54.49 2i3s n ASP 182 Cb 0.43 -0.65 -0.05 0.00 -0.64 0.00 0.00 41.12 40.21 2i3s n ASP 182 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2i3s s ASP 183 N -3.61 6.42 -0.15 -2.24 2.15 0.70 -4.89 116.67 115.06 2i3s s ASP 183 Ca 0.06 -0.10 0.15 0.00 0.43 0.00 0.00 52.55 53.09 2i3s s ASP 183 Cb 0.10 -2.41 0.69 0.00 -0.30 0.00 0.00 42.92 41.00 2i3s s ASP 183 CO 0.34 -1.00 1.58 -0.46 -0.17 0.00 0.00 175.17 175.46 2i3s n ASN 184 N 6.95 4.74 -0.09 -0.34 6.94 -1.26 -4.88 115.26 127.32 2i3s n ASN 184 Ca 0.03 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.02 2i3s n ASN 184 Cb 0.48 -0.60 -0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2i3s n ASN 184 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i3s n GLY 185 N 0.88 -2.86 3.14 4.83 0.00 -1.26 -4.97 105.19 104.95 2i3s n GLY 185 Ca 0.24 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.07 2.22 -0.01 2.61 2.01 0.23 -4.92 115.64 113.71 2i3s s THR 186 Ca 0.00 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 2i3s s THR 186 Cb 0.00 -1.94 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 2i3s s THR 186 CO 0.00 0.52 0.45 -0.63 -0.69 0.00 0.00 174.62 174.27 2i3s s ILE 187 N 1.31 5.01 0.03 1.82 1.09 -1.26 -1.20 121.20 128.01 2i3s s ILE 187 Ca 0.05 0.92 -0.08 0.00 -1.10 0.00 0.00 60.65 60.45 2i3s s ILE 187 Cb -0.13 -3.77 -0.00 0.00 -1.06 0.00 0.00 42.46 37.50 2i3s s ILE 187 CO -0.12 0.52 0.15 -1.61 -0.10 0.00 0.00 174.94 173.78 2i3s s GLU 188 N -0.70 0.62 0.59 2.79 2.02 -0.36 -4.99 118.70 118.66 2i3s s GLU 188 Ca 0.25 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.41 2i3s s GLU 188 Cb -0.17 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 2i3s s GLU 188 CO 0.14 -0.17 1.26 -1.21 0.02 0.00 0.00 175.26 175.30 2i3s s GLU 189 N -2.39 2.96 0.10 1.61 0.41 -1.26 -1.21 118.70 118.92 2i3s s GLU 189 Ca -0.07 1.98 0.25 0.00 -0.41 0.00 0.00 54.97 56.73 2i3s s GLU 189 Cb -0.02 -2.02 0.48 0.00 -1.78 0.00 0.00 34.13 30.78 2i3s s GLU 189 CO -0.03 -1.25 1.42 -1.13 -0.49 0.00 0.00 175.26 173.78 2i3s n SER 190 N -1.45 0.63 0.00 -0.19 3.41 -1.21 -4.66 113.62 110.15 2i3s n SER 190 Ca 0.13 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2i3s n SER 190 Cb 0.48 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2i3s n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i3s n GLY 191 N 1.37 0.54 3.25 5.00 0.00 -1.26 -4.66 105.19 109.43 2i3s n GLY 191 Ca 0.04 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.17 -0.02 0.99 1.43 -1.26 -4.84 118.68 117.15 2i3s s LEU 192 Ca 0.00 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 2i3s s LEU 192 Cb 0.00 -0.95 -0.33 0.00 0.03 0.00 0.00 46.19 44.94 2i3s s LEU 192 CO 0.00 0.15 0.82 0.50 0.23 0.00 0.00 176.35 178.06 2i3s h LYS 193 N 4.86 0.43 -6.72 1.70 3.64 -1.96 -3.46 116.57 115.06 2i3s h LYS 193 Ca -0.42 -0.73 -0.46 0.00 -1.27 0.00 0.00 60.65 57.77 2i3s h LYS 193 Cb 1.16 0.27 0.04 0.00 -0.41 0.00 0.00 32.23 33.29 2i3s h LYS 193 CO 0.44 1.35 -0.09 0.71 -2.27 0.00 0.00 179.45 179.59 2i3s s TYR 194 N -2.55 1.99 0.16 1.91 1.51 -1.26 -4.79 117.35 114.32 2i3s s TYR 194 Ca -0.13 -0.46 -0.33 0.00 -1.01 0.00 0.00 57.07 55.14 2i3s s TYR 194 Cb 0.04 -2.49 -0.16 0.00 -0.11 0.00 0.00 41.96 39.24 2i3s s TYR 194 CO 0.88 -1.05 1.04 0.94 -1.11 0.00 0.00 175.55 176.25 2i3s n GLN 195 N -2.28 0.84 -2.87 -0.62 7.27 -1.26 -4.65 117.38 113.80 2i3s n GLN 195 Ca 0.13 0.30 -0.41 0.00 0.07 0.00 0.00 57.00 57.08 2i3s n GLN 195 Cb 0.60 -1.71 -0.04 0.00 2.41 0.00 0.00 30.24 31.51 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 -0.36 4.95 -0.23 1.69 1.01 -1.26 -1.74 121.20 125.26 2i3s s ILE 196 Ca 0.73 1.76 -0.19 0.00 0.00 0.00 0.00 60.65 62.94 2i3s s ILE 196 Cb -0.91 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 37.21 2i3s s ILE 196 CO 0.54 0.19 0.05 0.54 0.00 0.00 0.00 174.94 176.26 2i3s n ARG 197 N 3.92 0.57 -3.99 2.79 5.12 0.19 -4.92 116.66 120.35 2i3s n ARG 197 Ca 0.03 0.49 -0.08 0.00 -1.93 0.00 0.00 57.85 56.36 2i3s n ARG 197 Cb 0.51 -1.68 -0.09 0.00 -1.16 0.00 0.00 32.46 30.05 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 -7.02 0.31 0.02 0.55 2.15 -1.18 -4.68 116.67 106.82 2i3s s ASP 198 Ca -0.31 -0.85 0.01 0.00 0.43 0.00 0.00 52.55 51.82 2i3s s ASP 198 Cb 0.08 0.27 -0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2i3s s ASP 198 CO 0.56 -0.67 -0.06 0.54 -0.17 0.00 0.00 175.17 175.37 2i3s s VAL 199 N -3.90 0.37 -0.14 1.11 0.11 -1.26 -0.80 120.40 115.89 2i3s s VAL 199 Ca 0.07 -0.78 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 2i3s s VAL 199 Cb 0.06 -0.43 0.06 0.00 -1.53 0.00 0.00 36.38 34.55 2i3s s VAL 199 CO -0.10 -0.27 0.32 0.00 -3.33 0.00 0.00 175.10 171.72 2i3s s ALA 200 N -1.02 -0.79 0.39 1.54 0.00 0.35 -4.63 121.76 117.60 2i3s s ALA 200 Ca -0.08 1.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.84 2i3s s ALA 200 Cb -0.08 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 2i3s s ALA 200 CO -0.00 -0.39 1.19 -0.51 0.00 0.00 0.00 175.76 176.05 2i3s s LEU 201 N 1.75 4.23 0.81 0.00 1.43 -1.26 0.01 118.68 125.66 2i3s s LEU 201 Ca -0.06 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 2i3s s LEU 201 Cb -0.10 -3.96 0.08 0.00 0.03 0.00 0.00 46.19 42.24 2i3s s LEU 201 CO -0.10 -0.66 1.10 -0.76 0.23 0.00 0.00 176.35 176.15 2i3s s LEU 202 N -2.38 2.55 -0.11 1.79 1.43 -0.12 -4.84 118.68 117.00 2i3s s LEU 202 Ca 0.56 1.36 -0.35 0.00 -1.03 0.00 0.00 54.13 54.67 2i3s s LEU 202 Cb -0.32 -3.94 -0.12 0.00 0.03 0.00 0.00 46.19 41.84 2i3s s LEU 202 CO 0.41 -2.10 1.88 -2.65 0.23 0.00 0.00 176.35 174.12 2i3s n PRO 203 N -3.52 2.11 0.00 1.29 -0.02 -1.26 -4.71 135.00 128.89 2i3s n PRO 203 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2i3s n PRO 203 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 6.62 0.00 -0.27 -0.52 3.00 -1.26 0.86 118.16 126.60 2i3s n LYS 204 Ca 0.23 0.00 0.27 0.00 -0.00 0.00 0.00 58.31 58.81 2i3s n LYS 204 Cb 0.28 0.00 0.63 0.00 0.00 0.00 0.00 35.03 35.94 2i3s n LYS 204 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2i3s h GLU 205 N 0.00 0.18 0.00 1.64 3.07 -2.02 -1.26 114.58 116.19 2i3s h GLU 205 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2i3s h GLU 205 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2i3s h GLU 205 CO 0.00 0.12 -0.05 1.04 -1.40 0.00 0.00 179.01 178.72 2i3s n GLN 206 N -4.40 0.27 -3.56 2.33 6.02 0.25 -4.99 117.38 113.30 2i3s n GLN 206 Ca 0.22 0.21 -0.20 0.00 -0.01 0.00 0.00 57.00 57.23 2i3s n GLN 206 Cb 0.96 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 -2.27 -1.57 -0.94 -1.09 1.02 -0.48 -4.85 120.64 110.46 2i3s n GLU 207 Ca 0.05 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 2i3s n GLU 207 Cb 0.43 -3.17 0.00 0.00 -0.02 0.00 0.00 31.44 28.69 2i3s n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i3s n GLY 208 N -1.47 1.57 3.43 0.62 0.00 -1.26 -1.89 105.19 106.18 2i3s n GLY 208 Ca -0.21 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.92 -0.56 -0.03 1.61 -0.85 -0.37 -0.94 117.35 111.30 2i3s s TYR 209 Ca 0.00 0.44 0.08 0.00 -0.52 0.00 0.00 57.07 57.07 2i3s s TYR 209 Cb 0.00 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 2i3s s TYR 209 CO 0.00 -0.82 -0.26 0.00 -1.52 0.00 0.00 175.55 172.96 2i3s s ALA 210 N -3.39 2.16 -0.05 9.51 0.00 0.10 -0.69 121.76 129.41 2i3s s ALA 210 Ca -0.01 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2i3s s ALA 210 Cb -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 2i3s s ALA 210 CO -0.10 0.51 -0.18 0.00 0.00 0.00 0.00 175.76 175.99 2i3s s SER 212 N 0.04 5.19 0.48 0.00 1.04 0.02 -0.73 113.70 119.74 2i3s s SER 212 Ca -0.04 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.39 2i3s s SER 212 Cb -0.12 -1.34 -0.01 0.00 0.10 0.00 0.00 66.02 64.64 2i3s s SER 212 CO 0.03 0.23 0.18 -0.94 0.98 0.00 0.00 173.24 173.72 2i3s s SER 213 N -1.91 4.36 0.00 7.02 1.04 -0.31 0.58 113.70 124.48 2i3s s SER 213 Ca 0.23 -1.32 0.29 0.00 0.48 0.00 0.00 55.95 55.63 2i3s s SER 213 Cb -0.12 0.10 1.20 0.00 0.10 0.00 0.00 66.02 67.30 2i3s s SER 213 CO 0.15 -0.80 1.90 2.30 0.98 0.00 0.00 173.24 177.76 2i3s n ILE 214 N -1.39 0.00 -2.37 -1.02 -5.35 -0.71 -0.38 119.36 108.14 2i3s n ILE 214 Ca -0.07 -0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.12 2i3s n ILE 214 Cb 0.65 -0.44 0.01 0.00 -1.74 0.00 0.00 39.64 38.12 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 -1.49 5.19 -3.68 7.28 5.75 -1.26 -2.34 116.55 126.01 2i3s n ASP 215 Ca 0.07 -3.74 -0.22 0.00 -0.01 0.00 0.00 54.79 50.89 2i3s n ASP 215 Cb 0.34 -0.56 0.03 0.00 -1.03 0.00 0.00 41.12 39.90 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 -0.50 -0.42 3.16 6.12 0.00 0.02 -4.76 105.19 108.82 2i3s n GLY 216 Ca 0.42 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 2i3s n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i3s s ARG 217 N -5.90 0.72 -0.03 1.61 0.52 -1.26 -1.09 118.95 113.52 2i3s s ARG 217 Ca 0.08 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2i3s s ARG 217 Cb -0.02 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.76 2i3s s ARG 217 CO 0.82 -0.20 0.02 0.08 0.02 0.00 0.00 175.30 176.04 2i3s s VAL 218 N -3.30 0.02 -0.11 3.52 1.01 -0.67 -1.17 120.40 119.70 2i3s s VAL 218 Ca 0.01 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2i3s s VAL 218 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 2i3s s VAL 218 CO -0.08 0.13 -0.13 0.00 0.00 0.00 0.00 175.10 175.02 2i3s s ALA 219 N 1.27 2.63 -0.26 5.51 0.00 0.09 -1.40 121.76 129.60 2i3s s ALA 219 Ca -0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2i3s s ALA 219 Cb -0.13 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 2i3s s ALA 219 CO -0.03 0.33 0.05 0.08 0.00 0.00 0.00 175.76 176.19 2i3s s VAL 220 N 0.07 3.91 0.33 0.00 1.01 0.84 -1.19 120.40 125.36 2i3s s VAL 220 Ca -0.05 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2i3s s VAL 220 Cb -0.15 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 2i3s s VAL 220 CO 0.04 0.24 -0.05 -0.70 0.00 0.00 0.00 175.10 174.63 2i3s s GLU 221 N 1.53 1.97 -0.02 2.72 2.56 0.13 -2.29 118.70 125.30 2i3s s GLU 221 Ca 0.04 -1.78 0.03 0.00 0.00 0.00 0.00 54.97 53.26 2i3s s GLU 221 Cb -0.16 -1.86 -0.00 0.00 2.00 0.00 0.00 34.13 34.11 2i3s s GLU 221 CO 0.01 0.18 -0.10 -0.06 -0.56 0.00 0.00 175.26 174.74 2i3s s PHE 222 N -2.53 0.93 -0.59 5.30 0.08 -1.26 -1.23 117.98 118.67 2i3s s PHE 222 Ca 0.33 -0.21 -0.28 0.00 0.12 0.00 0.00 56.93 56.90 2i3s s PHE 222 Cb -0.01 -0.63 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 2i3s s PHE 222 CO 0.18 -0.06 1.18 -0.06 -0.10 0.00 0.00 175.22 176.36 2i3s s PHE 223 N -0.02 2.59 -1.51 0.36 0.40 -0.79 -4.89 117.98 114.12 2i3s s PHE 223 Ca 0.00 0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 56.56 2i3s s PHE 223 Cb -0.06 -4.49 -0.05 0.00 0.51 0.00 0.00 43.02 38.92 2i3s s PHE 223 CO 0.00 -1.62 2.68 -0.25 0.70 0.00 0.00 175.22 176.73 2i3s n ASP 224 N 8.46 6.99 -1.32 1.36 10.43 -1.26 -4.88 116.55 136.33 2i3s n ASP 224 Ca 0.07 -2.63 0.03 0.00 2.57 0.00 0.00 54.79 54.84 2i3s n ASP 224 Cb 0.49 -1.54 0.01 0.00 1.84 0.00 0.00 41.12 41.92 2i3s n ASP 224 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2i3s n ASP 225 N 4.42 0.78 -3.57 -2.24 5.68 -1.26 -5.28 116.55 115.09 2i3s n ASP 225 Ca 0.68 -2.00 -0.14 0.00 -0.50 0.00 0.00 54.79 52.84 2i3s n ASP 225 Cb 0.27 -0.27 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 2i3s n ASP 225 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2i3s s SER 233 N -1.80 -0.56 -0.74 -1.12 1.04 -1.26 -5.24 113.70 104.02 2i3s s SER 233 Ca 0.27 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.44 2i3s s SER 233 Cb 0.31 0.65 0.40 0.00 0.10 0.00 0.00 66.02 67.48 2i3s s SER 233 CO -0.14 -0.42 1.95 2.29 0.98 0.00 0.00 173.24 177.91 2i3s n LYS 234 N 1.28 2.80 -1.10 4.02 -0.00 -1.26 -5.02 118.16 118.88 2i3s n LYS 234 Ca -0.15 -3.51 -0.29 0.00 -0.00 0.00 0.00 58.31 54.36 2i3s n LYS 234 Cb 0.57 -2.28 0.18 0.00 -0.00 0.00 0.00 35.03 33.50 2i3s n LYS 234 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2i3s s ARG 235 N -3.94 0.46 -0.05 -1.58 1.70 -1.26 -5.03 118.95 109.25 2i3s s ARG 235 Ca 0.57 0.64 -0.31 0.00 -0.47 0.00 0.00 55.73 56.16 2i3s s ARG 235 Cb 0.46 -1.73 0.12 0.00 -0.57 0.00 0.00 34.95 33.23 2i3s s ARG 235 CO -0.24 -2.74 1.18 -0.59 -1.08 0.00 0.00 175.30 171.83 2i3s s PHE 236 N -2.89 -0.11 0.04 5.89 -0.12 -0.97 -5.03 117.98 114.78 2i3s s PHE 236 Ca 0.65 -0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 57.46 2i3s s PHE 236 Cb -0.19 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 2i3s s PHE 236 CO 0.58 -0.35 0.12 0.00 -0.05 0.00 0.00 175.22 175.52 2i3s s ALA 237 N -2.60 -0.13 0.04 1.99 0.00 -1.26 -0.12 121.76 119.67 2i3s s ALA 237 Ca 0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 2i3s s ALA 237 Cb 0.02 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2i3s s ALA 237 CO -0.04 -0.32 -0.03 -0.59 0.00 0.00 0.00 175.76 174.78 2i3s s PHE 238 N -2.56 0.41 0.21 0.00 -0.71 -0.50 -5.01 117.98 109.83 2i3s s PHE 238 Ca -0.05 -0.77 -0.08 0.00 -1.04 0.00 0.00 56.93 54.98 2i3s s PHE 238 Cb -0.01 -0.30 -0.07 0.00 -1.21 0.00 0.00 43.02 41.43 2i3s s PHE 238 CO -0.04 -0.26 0.50 1.03 -1.34 0.00 0.00 175.22 175.11 2i3s s ARG 239 N -2.59 3.75 0.17 1.99 0.52 -1.26 -1.68 118.95 119.84 2i3s s ARG 239 Ca -0.05 0.17 -0.24 0.00 -0.52 0.00 0.00 55.73 55.09 2i3s s ARG 239 Cb -0.02 -2.70 0.06 0.00 0.52 0.00 0.00 34.95 32.81 2i3s s ARG 239 CO -0.05 0.35 0.84 0.00 0.02 0.00 0.00 175.30 176.46 2i3s n HIS 241 N -0.42 -1.94 -4.39 0.00 8.25 -1.26 -4.24 115.22 111.22 2i3s n HIS 241 Ca -0.07 0.83 -0.24 0.00 -0.26 0.00 0.00 57.72 57.98 2i3s n HIS 241 Cb 0.61 -4.10 -0.09 0.00 1.12 0.00 0.00 29.99 27.53 2i3s n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2i3s s ARG 242 N -6.29 1.90 -0.30 -0.41 1.81 -1.26 -1.86 118.95 112.54 2i3s s ARG 242 Ca 0.19 -1.58 0.01 0.00 -1.72 0.00 0.00 55.73 52.63 2i3s s ARG 242 Cb -0.10 -1.94 0.09 0.00 -0.45 0.00 0.00 34.95 32.55 2i3s s ARG 242 CO 0.84 0.36 0.04 -1.17 -0.68 0.00 0.00 175.30 174.69 2i3s s LEU 243 N -3.40 3.06 -0.37 2.53 0.20 0.57 -4.97 118.68 116.29 2i3s s LEU 243 Ca 0.29 -1.65 -0.25 0.00 0.69 0.00 0.00 54.13 53.21 2i3s s LEU 243 Cb -0.06 -1.17 0.01 0.00 -0.43 0.00 0.00 46.19 44.54 2i3s s LEU 243 CO 0.16 -0.35 0.91 0.20 -0.29 0.00 0.00 176.35 176.98 2i3s s ASN 244 N 1.35 6.66 0.41 3.68 0.02 -1.26 -0.62 114.94 125.18 2i3s s ASN 244 Ca 0.06 0.53 0.04 0.00 -1.02 0.00 0.00 52.86 52.47 2i3s s ASN 244 Cb -0.18 -2.46 0.04 0.00 0.02 0.00 0.00 41.25 38.68 2i3s s ASN 244 CO -0.14 -0.85 0.37 0.18 0.02 0.00 0.00 177.10 176.67 2i3s n LEU 245 N 6.75 0.00 -0.09 0.60 4.77 -1.26 -5.01 117.00 122.77 2i3s n LEU 245 Ca 0.07 -2.06 -0.09 0.00 -0.03 0.00 0.00 56.01 53.89 2i3s n LEU 245 Cb 0.48 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2i3s n LEU 245 CO 0.58 -0.54 1.00 0.50 -1.33 0.00 0.00 177.39 177.60 2i3s h LYS 246 N 0.00 0.40 0.00 3.23 3.64 -2.02 -3.40 116.57 118.42 2i3s h LYS 246 Ca -0.25 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.91 2i3s h LYS 246 Cb 0.94 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2i3s h LYS 246 CO 0.38 0.27 -1.68 -0.25 -2.27 0.00 0.00 179.45 175.90 2i3s n ASP 247 N -4.87 1.88 -3.95 4.20 10.43 -1.26 -5.01 116.55 117.97 2i3s n ASP 247 Ca -0.01 0.06 -0.27 0.00 2.57 0.00 0.00 54.79 57.13 2i3s n ASP 247 Cb 0.03 -0.28 -0.17 0.00 1.84 0.00 0.00 41.12 42.54 2i3s n ASP 247 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2i3s s THR 248 N -2.23 1.15 0.63 -3.53 2.01 -1.26 -5.14 115.64 107.27 2i3s s THR 248 Ca -0.17 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 2i3s s THR 248 Cb 0.06 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2i3s s THR 248 CO 0.24 0.38 1.05 0.20 -0.69 0.00 0.00 174.62 175.80 2i3s s ASN 249 N 1.45 5.72 -0.14 3.53 0.02 -1.26 -4.22 114.94 120.05 2i3s s ASN 249 Ca 0.01 1.67 -0.01 0.00 -1.02 0.00 0.00 52.86 53.51 2i3s s ASN 249 Cb -0.13 -2.51 -0.02 0.00 0.02 0.00 0.00 41.25 38.61 2i3s s ASN 249 CO -0.06 -1.21 -0.10 -0.76 0.02 0.00 0.00 177.10 174.99 2i3s s LEU 250 N -4.97 2.91 -0.15 0.60 1.02 0.21 -4.95 118.68 113.36 2i3s s LEU 250 Ca 0.60 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.51 2i3s s LEU 250 Cb -0.14 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.40 2i3s s LEU 250 CO 0.46 0.17 -0.20 0.00 0.02 0.00 0.00 176.35 176.80 2i3s s ALA 251 N 0.33 2.34 0.14 4.21 0.00 -1.26 -0.32 121.76 127.20 2i3s s ALA 251 Ca -0.08 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.83 2i3s s ALA 251 Cb -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2i3s s ALA 251 CO 0.05 -0.07 0.07 0.71 0.00 0.00 0.00 175.76 176.51 2i3s s TYR 252 N 0.88 3.05 0.42 0.00 1.51 -0.78 -4.63 117.35 117.80 2i3s s TYR 252 Ca -0.05 -0.03 -0.26 0.00 -1.01 0.00 0.00 57.07 55.71 2i3s s TYR 252 Cb -0.15 -1.50 -0.09 0.00 -0.11 0.00 0.00 41.96 40.11 2i3s s TYR 252 CO -0.03 0.51 1.43 -2.14 -1.11 0.00 0.00 175.55 174.22 2i3s s PRO 253 N -2.81 3.87 -0.82 -1.71 0.02 -0.99 -0.80 135.00 131.76 2i3s s PRO 253 Ca 0.29 2.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.64 2i3s s PRO 253 Cb -0.10 -2.78 0.21 0.00 0.02 0.00 0.00 34.50 31.85 2i3s s PRO 253 CO 0.21 -0.68 0.74 0.08 -0.33 0.00 0.00 177.00 177.02 2i3s s VAL 254 N -1.18 5.19 0.22 3.83 1.01 0.49 -0.86 120.40 129.10 2i3s s VAL 254 Ca 0.58 -2.77 -0.06 0.00 0.00 0.00 0.00 61.98 59.73 2i3s s VAL 254 Cb -0.44 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 31.84 2i3s s VAL 254 CO 0.58 -1.02 1.73 0.78 0.00 0.00 0.00 175.10 177.17 2i3s h ASN 255 N 7.39 0.99 -3.51 3.32 2.35 -1.27 -3.39 115.58 121.46 2i3s h ASN 255 Ca 0.09 -0.22 -0.24 0.00 -0.55 0.00 0.00 56.30 55.39 2i3s h ASN 255 Cb 0.99 -0.26 -0.31 0.00 0.05 0.00 0.00 38.32 38.79 2i3s h ASN 255 CO 0.78 0.97 -0.61 -0.55 -1.65 0.00 0.00 177.43 176.37 2i3s s SER 256 N -6.51 -0.10 0.03 5.81 0.15 -1.12 -4.37 113.70 107.59 2i3s s SER 256 Ca -0.11 0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.84 2i3s s SER 256 Cb 0.15 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2i3s s SER 256 CO 0.84 -0.13 -0.12 0.27 1.20 0.00 0.00 173.24 175.30 2i3s s ILE 257 N 0.94 0.93 -0.05 6.45 -4.36 -1.26 -0.51 121.20 123.34 2i3s s ILE 257 Ca -0.07 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.11 2i3s s ILE 257 Cb -0.09 -0.86 0.09 0.00 1.25 0.00 0.00 42.46 42.84 2i3s s ILE 257 CO -0.04 -0.04 0.77 -0.70 0.24 0.00 0.00 174.94 175.17 2i3s s GLU 258 N -1.07 0.94 0.04 0.37 2.12 -0.45 -4.83 118.70 115.82 2i3s s GLU 258 Ca -0.00 0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 2i3s s GLU 258 Cb -0.07 0.44 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 2i3s s GLU 258 CO 0.01 -0.32 0.28 -0.06 -0.54 0.00 0.00 175.26 174.62 2i3s s PHE 259 N -1.66 3.55 0.02 5.30 0.40 -1.26 0.04 117.98 124.36 2i3s s PHE 259 Ca -0.06 0.51 -0.29 0.00 -0.60 0.00 0.00 56.93 56.49 2i3s s PHE 259 Cb -0.00 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 2i3s s PHE 259 CO 0.03 0.58 0.94 -1.54 0.70 0.00 0.00 175.22 175.93 2i3s s SER 260 N -1.97 7.36 0.60 1.36 1.04 -0.58 -4.76 113.70 116.75 2i3s s SER 260 Ca 0.31 1.64 0.37 0.00 0.48 0.00 0.00 55.95 58.75 2i3s s SER 260 Cb -0.13 -2.55 1.89 0.00 0.10 0.00 0.00 66.02 65.33 2i3s s SER 260 CO 0.20 -0.18 2.19 1.55 0.98 0.00 0.00 173.24 177.98 2i3s h PRO 261 N 6.43 0.00 0.00 4.02 0.13 -1.83 -0.98 132.00 139.77 2i3s h PRO 261 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2i3s h PRO 261 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2i3s h PRO 261 CO 0.74 0.03 0.00 -2.13 -0.23 0.00 0.00 178.00 176.41 2i3s n ARG 262 N -3.25 0.00 0.00 0.86 0.63 -1.26 -4.53 116.66 109.11 2i3s n ARG 262 Ca -0.02 0.12 0.13 0.00 -0.92 0.00 0.00 57.85 57.16 2i3s n ARG 262 Cb 0.17 -0.66 0.45 0.00 0.45 0.00 0.00 32.46 32.87 2i3s n ARG 262 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2i3s n HIS 263 N -0.85 0.00 -3.14 -0.14 8.25 -1.26 -4.95 115.22 113.13 2i3s n HIS 263 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2i3s n HIS 263 Cb 0.00 -0.37 0.05 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.47 -5.29 -3.13 -0.41 5.02 -0.37 -4.99 118.16 107.52 2i3s n LYS 264 Ca 0.07 0.71 -0.33 0.00 -2.02 0.00 0.00 58.31 56.74 2i3s n LYS 264 Cb 0.33 -5.25 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.16 3.39 -0.21 2.13 2.99 -1.26 -4.75 117.98 117.11 2i3s s PHE 265 Ca 0.37 1.23 -0.13 0.00 0.00 0.00 0.00 56.93 58.40 2i3s s PHE 265 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 43.02 40.27 2i3s s PHE 265 CO 0.45 0.10 0.27 -1.17 -0.00 0.00 0.00 175.22 174.88 2i3s s LEU 266 N -2.93 4.17 -0.14 -0.37 2.96 -0.16 -1.52 118.68 120.69 2i3s s LEU 266 Ca 0.54 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 2i3s s LEU 266 Cb -0.11 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 2i3s s LEU 266 CO 0.17 0.03 0.01 -0.31 -1.32 0.00 0.00 176.35 174.94 2i3s s TYR 267 N 0.96 3.17 -0.03 5.38 1.51 0.11 -0.09 117.35 128.36 2i3s s TYR 267 Ca 0.14 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 2i3s s TYR 267 Cb -0.14 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2i3s s TYR 267 CO 0.05 0.24 -0.21 0.95 -1.11 0.00 0.00 175.55 175.47 2i3s s THR 268 N -0.17 1.70 -0.13 -0.71 -4.23 0.05 -1.35 115.64 110.81 2i3s s THR 268 Ca 0.05 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 2i3s s THR 268 Cb -0.12 -1.42 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2i3s s THR 268 CO 0.02 0.48 -0.22 0.00 -0.54 0.00 0.00 174.62 174.36 2i3s s ALA 269 N -0.34 2.21 0.46 3.99 0.00 0.33 -0.49 121.76 127.93 2i3s s ALA 269 Ca 0.04 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2i3s s ALA 269 Cb -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2i3s s ALA 269 CO 0.00 0.05 0.02 0.20 0.00 0.00 0.00 175.76 176.04 2i3s s GLY 270 N 0.70 2.76 0.00 0.00 0.00 -0.61 -0.86 107.32 109.30 2i3s s GLY 270 Ca -0.10 -1.32 0.13 0.00 0.00 0.00 0.00 44.72 43.44 2i3s s GLY 270 CO 0.01 -2.14 1.49 1.44 0.00 0.00 0.00 173.10 173.90 2i3s n SER 271 N -1.15 0.16 -0.17 1.64 7.64 -0.04 -1.84 113.62 119.87 2i3s n SER 271 Ca -0.12 -1.62 0.14 0.00 1.01 0.00 0.00 58.87 58.28 2i3s n SER 271 Cb 0.67 -0.01 0.49 0.00 -1.01 0.00 0.00 64.21 64.35 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 -0.60 0.72 0.00 6.43 5.75 -1.26 -4.51 116.55 123.08 2i3s n ASP 272 Ca 0.10 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 2i3s n ASP 272 Cb 0.07 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.32 0.54 3.47 6.12 0.00 -0.92 -4.95 105.19 110.76 2i3s n GLY 273 Ca 0.13 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.00 2.62 -0.15 -0.61 1.09 -1.25 -3.47 121.20 117.42 2i3s s ILE 274 Ca 0.00 -1.89 0.01 0.00 -1.10 0.00 0.00 60.65 57.66 2i3s s ILE 274 Cb 0.00 -2.27 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 2i3s s ILE 274 CO 0.00 -0.10 -0.18 -0.63 -0.10 0.00 0.00 174.94 173.93 2i3s s ILE 275 N -1.65 2.43 0.21 2.92 1.01 -1.26 -1.58 121.20 123.29 2i3s s ILE 275 Ca 0.22 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 60.11 2i3s s ILE 275 Cb -0.08 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2i3s s ILE 275 CO 0.11 0.53 -0.06 -0.44 0.00 0.00 0.00 174.94 175.08 2i3s s SER 276 N 0.87 4.35 -0.05 3.58 0.01 0.36 -1.72 113.70 121.09 2i3s s SER 276 Ca -0.05 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.65 2i3s s SER 276 Cb -0.15 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 2i3s s SER 276 CO -0.02 0.06 -0.22 0.00 0.41 0.00 0.00 173.24 173.48 2i3s s TRP 278 N -0.33 1.07 -0.37 0.00 0.52 0.87 -0.93 118.94 119.77 2i3s s TRP 278 Ca 0.02 -0.54 -0.05 0.00 0.02 0.00 0.00 56.10 55.55 2i3s s TRP 278 Cb -0.12 -0.60 0.08 0.00 -1.15 0.00 0.00 33.47 31.67 2i3s s TRP 278 CO 0.02 0.02 0.15 1.21 0.02 0.00 0.00 176.95 178.37 2i3s s ASN 279 N -2.00 5.28 0.01 2.95 3.84 -0.79 -0.99 114.94 123.24 2i3s s ASN 279 Ca -0.00 -1.56 0.21 0.00 0.21 0.00 0.00 52.86 51.71 2i3s s ASN 279 Cb -0.07 -1.85 0.88 0.00 -0.55 0.00 0.00 41.25 39.66 2i3s s ASN 279 CO 0.01 -0.44 1.67 0.18 -2.79 0.00 0.00 177.10 175.73 2i3s n LEU 280 N 4.72 0.03 -0.06 3.21 4.77 -1.26 0.43 117.00 128.84 2i3s n LEU 280 Ca -0.09 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 2i3s n LEU 280 Cb 0.43 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 2i3s n LEU 280 CO 0.33 -0.15 0.36 1.56 -1.33 0.00 0.00 177.39 178.15 2i3s h GLN 281 N 0.00 -0.01 0.00 3.23 7.50 -1.94 -3.32 115.11 120.57 2i3s h GLN 281 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2i3s h GLN 281 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.90 2i3s h GLN 281 CO 0.00 0.79 -0.34 0.25 -1.50 0.00 0.00 178.83 178.03 2i3s n THR 282 N -4.67 0.17 -3.11 -0.54 -2.24 -1.18 -4.92 114.28 97.79 2i3s n THR 282 Ca -0.08 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 2i3s n THR 282 Cb 0.39 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.77 -4.68 -4.96 -0.78 1.74 0.17 -4.97 116.66 101.41 2i3s n ARG 283 Ca 0.05 0.81 -0.27 0.00 -0.77 0.00 0.00 57.85 57.67 2i3s n ARG 283 Cb 0.38 -5.65 -0.16 0.00 -1.02 0.00 0.00 32.46 26.00 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 -5.79 1.96 0.03 5.56 2.20 -0.90 -4.97 119.74 117.82 2i3s s LYS 284 Ca 0.33 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 2i3s s LYS 284 Cb -0.16 -1.71 -0.07 0.00 -1.51 0.00 0.00 37.83 34.39 2i3s s LYS 284 CO 0.41 0.30 1.51 0.21 -0.36 0.00 0.00 175.35 177.42 2i3s s LYS 285 N -0.07 4.24 -0.12 4.03 2.20 -1.26 -1.89 119.74 126.87 2i3s s LYS 285 Ca -0.02 2.13 -0.28 0.00 -0.36 0.00 0.00 55.97 57.43 2i3s s LYS 285 Cb -0.12 -3.58 -0.26 0.00 -1.51 0.00 0.00 37.83 32.36 2i3s s LYS 285 CO 0.02 -0.65 0.81 0.82 -0.36 0.00 0.00 175.35 176.00 2i3s h ILE 286 N 4.87 1.75 -2.53 5.43 2.04 -1.37 -3.48 117.51 124.22 2i3s h ILE 286 Ca -0.40 -2.29 0.14 0.00 1.00 0.00 0.00 64.86 63.32 2i3s h ILE 286 Cb 1.19 3.30 -0.07 0.00 -0.74 0.00 0.00 36.82 40.49 2i3s h ILE 286 CO 0.91 0.60 0.41 -1.59 0.00 0.00 0.00 178.15 178.49 2i3s s LYS 287 N -2.37 1.35 -0.15 2.37 -2.85 -1.18 -5.01 119.74 111.90 2i3s s LYS 287 Ca -0.18 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.97 54.03 2i3s s LYS 287 Cb -0.02 0.47 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2i3s s LYS 287 CO 0.70 -0.62 0.00 1.21 0.10 0.00 0.00 175.35 176.75 2i3s s ASN 288 N -2.93 2.52 0.71 0.03 3.84 -1.26 -0.85 114.94 117.00 2i3s s ASN 288 Ca 0.12 -0.58 -0.14 0.00 0.21 0.00 0.00 52.86 52.47 2i3s s ASN 288 Cb -0.03 -0.63 0.03 0.00 -0.55 0.00 0.00 41.25 40.07 2i3s s ASN 288 CO 0.03 -0.24 1.13 -0.36 -2.79 0.00 0.00 177.10 174.87 2i3s s PHE 289 N 1.83 2.41 0.37 0.43 0.40 -0.70 -4.96 117.98 117.77 2i3s s PHE 289 Ca 0.01 1.58 -0.27 0.00 -0.60 0.00 0.00 56.93 57.65 2i3s s PHE 289 Cb -0.15 -3.23 -0.09 0.00 0.51 0.00 0.00 43.02 40.06 2i3s s PHE 289 CO -0.07 -1.99 1.27 0.00 0.70 0.00 0.00 175.22 175.12 2i3s s ALA 290 N -2.38 3.32 0.01 5.36 0.00 -1.26 -4.54 121.76 122.27 2i3s s ALA 290 Ca 0.68 1.17 -0.36 0.00 0.00 0.00 0.00 51.96 53.45 2i3s s ALA 290 Cb -0.22 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 2i3s s ALA 290 CO 0.46 -0.67 1.59 1.17 0.00 0.00 0.00 175.76 178.31 2i3s n LYS 291 N 0.39 1.65 -0.06 0.00 4.81 -1.26 -4.87 118.16 118.82 2i3s n LYS 291 Ca 0.02 0.60 -0.13 0.00 -0.87 0.00 0.00 58.31 57.93 2i3s n LYS 291 Cb 0.44 -2.33 -0.07 0.00 0.02 0.00 0.00 35.03 33.09 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 6.36 0.51 -0.39 5.64 -1.00 -1.90 -3.49 116.94 122.66 2i3s h PHE 292 Ca -0.47 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.15 2i3s h PHE 292 Cb 1.30 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.75 2i3s h PHE 292 CO 0.69 0.83 0.00 0.27 -1.61 0.00 0.00 178.31 178.49 2i3s n ASN 293 N -4.48 0.00 -0.62 2.17 2.04 -1.26 -5.04 115.26 108.07 2i3s n ASN 293 Ca -0.06 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.21 2i3s n ASN 293 Cb 0.41 0.00 0.40 0.00 -2.53 0.00 0.00 39.78 38.06 2i3s n ASN 293 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2i3s n GLU 294 N 0.00 1.85 -4.19 -3.83 -0.58 -1.26 -4.94 120.64 107.69 2i3s n GLU 294 Ca 0.00 -1.24 -0.22 0.00 -0.42 0.00 0.00 57.16 55.28 2i3s n GLU 294 Cb 0.00 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 2i3s n GLU 294 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2i3s s ASP 295 N -1.87 5.08 0.59 1.62 -0.00 -1.26 -5.01 116.67 115.82 2i3s s ASP 295 Ca 0.35 -0.44 -0.19 0.00 -0.00 0.00 0.00 52.55 52.28 2i3s s ASP 295 Cb 0.20 -1.14 -0.04 0.00 -0.00 0.00 0.00 42.92 41.94 2i3s s ASP 295 CO 0.31 -0.03 1.18 -0.44 -0.00 0.00 0.00 175.17 176.19 2i3s s SER 296 N -3.77 5.31 -0.28 0.27 0.01 -1.16 -4.32 113.70 109.75 2i3s s SER 296 Ca 0.32 2.30 -0.18 0.00 1.31 0.00 0.00 55.95 59.70 2i3s s SER 296 Cb -0.07 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2i3s s SER 296 CO 0.23 -1.51 0.50 -0.69 0.41 0.00 0.00 173.24 172.18 2i3s s VAL 297 N -1.71 5.07 -0.65 3.43 1.01 -0.77 -1.19 120.40 125.58 2i3s s VAL 297 Ca 0.75 0.76 0.14 0.00 0.00 0.00 0.00 61.98 63.63 2i3s s VAL 297 Cb -0.28 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 2i3s s VAL 297 CO 0.32 0.04 0.58 1.33 0.00 0.00 0.00 175.10 177.37 2i3s n VAL 298 N 5.21 0.00 -3.64 2.92 0.24 -0.03 -4.07 118.33 118.96 2i3s n VAL 298 Ca -0.05 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 2i3s n VAL 298 Cb 0.50 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 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 -2.29 0.78 0.06 7.34 2.47 -1.18 -4.52 119.74 122.41 2i3s s LYS 299 Ca 0.05 1.00 0.01 0.00 -1.56 0.00 0.00 55.97 55.48 2i3s s LYS 299 Cb 0.10 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.78 2i3s s LYS 299 CO 0.56 -0.11 -0.06 0.96 0.16 0.00 0.00 175.35 176.86 2i3s s ILE 300 N 0.60 0.50 -0.06 5.43 -4.36 -1.26 -0.58 121.20 121.48 2i3s s ILE 300 Ca -0.02 -1.45 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 2i3s s ILE 300 Cb -0.05 -1.06 0.04 0.00 1.25 0.00 0.00 42.46 42.64 2i3s s ILE 300 CO -0.03 -0.65 0.14 0.00 0.24 0.00 0.00 174.94 174.64 2i3s s ALA 301 N -2.49 -0.24 -0.12 2.27 0.00 0.07 -4.87 121.76 116.39 2i3s s ALA 301 Ca -0.01 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.61 2i3s s ALA 301 Cb -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2i3s s ALA 301 CO -0.03 -0.15 -0.17 0.00 0.00 0.00 0.00 175.76 175.42 2i3s n SER 303 N 3.45 1.95 0.13 0.00 3.41 -0.54 -4.68 113.62 117.34 2i3s n SER 303 Ca -0.18 -0.57 -0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2i3s n SER 303 Cb 0.53 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.00 0.00 0.00 4.04 3.32 -1.99 -3.40 116.42 118.39 2i3s h ASP 304 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2i3s h ASP 304 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2i3s h ASP 304 CO 0.00 0.64 -1.66 0.59 -1.72 0.00 0.00 179.24 177.08 2i3s n ASN 305 N -3.46 3.07 -4.47 6.45 3.02 -1.26 -4.91 115.26 113.70 2i3s n ASN 305 Ca 0.00 -0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.27 2i3s n ASN 305 Cb 0.71 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.23 1.33 -0.15 2.41 -4.36 -1.26 -2.75 121.20 114.17 2i3s s ILE 306 Ca -0.15 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 2i3s s ILE 306 Cb 0.04 -2.80 0.04 0.00 1.25 0.00 0.00 42.46 40.99 2i3s s ILE 306 CO 0.28 -0.02 -0.03 -0.22 0.24 0.00 0.00 174.94 175.18 2i3s s LEU 307 N -3.51 1.39 -0.16 0.37 0.20 -1.03 -1.47 118.68 114.47 2i3s s LEU 307 Ca 0.36 -0.59 -0.07 0.00 0.69 0.00 0.00 54.13 54.51 2i3s s LEU 307 Cb 0.09 -0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 45.01 2i3s s LEU 307 CO 0.16 -0.20 0.08 0.00 -0.29 0.00 0.00 176.35 176.09 2i3s s LEU 309 N -0.05 2.50 -0.01 0.00 2.34 -0.21 -0.75 118.68 122.51 2i3s s LEU 309 Ca 0.07 -1.04 0.01 0.00 0.06 0.00 0.00 54.13 53.22 2i3s s LEU 309 Cb -0.12 -0.45 0.01 0.00 -0.56 0.00 0.00 46.19 45.07 2i3s s LEU 309 CO 0.01 -0.30 -0.02 0.00 -1.06 0.00 0.00 176.35 174.98 2i3s s ALA 310 N -3.22 0.24 -0.08 1.48 0.00 0.26 -1.63 121.76 118.81 2i3s s ALA 310 Ca 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2i3s s ALA 310 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2i3s s ALA 310 CO 0.04 0.02 -0.10 0.95 0.00 0.00 0.00 175.76 176.67 2i3s s THR 311 N 0.24 3.45 0.01 0.00 -4.23 0.13 -0.85 115.64 114.38 2i3s s THR 311 Ca -0.02 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 2i3s s THR 311 Cb -0.05 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 2i3s s THR 311 CO -0.01 0.57 0.08 -0.44 -0.54 0.00 0.00 174.62 174.28 2i3s s SER 312 N -0.49 0.12 -0.41 3.99 0.01 -0.33 -1.02 113.70 115.57 2i3s s SER 312 Ca 0.07 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2i3s s SER 312 Cb -0.12 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.29 2i3s s SER 312 CO 0.02 -0.37 1.43 -0.62 0.41 0.00 0.00 173.24 174.11 2i3s s ASP 313 N -1.52 6.32 -0.25 2.44 -1.08 -1.26 -3.01 116.67 118.32 2i3s s ASP 313 Ca -0.14 0.85 0.10 0.00 -0.52 0.00 0.00 52.55 52.85 2i3s s ASP 313 Cb -0.07 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.30 2i3s s ASP 313 CO -0.00 -1.44 1.33 -0.90 0.52 0.00 0.00 175.17 174.68 2i3s n ASP 314 N 8.86 2.08 0.00 -0.34 3.85 -1.26 -4.67 116.55 125.07 2i3s n ASP 314 Ca 0.17 -3.83 0.09 0.00 -0.71 0.00 0.00 54.79 50.51 2i3s n ASP 314 Cb 0.48 -0.58 0.43 0.00 -1.35 0.00 0.00 41.12 40.11 2i3s n ASP 314 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2i3s n THR 315 N -1.12 0.55 0.39 2.12 -2.24 -1.26 -2.27 114.28 110.44 2i3s n THR 315 Ca 0.25 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 62.28 2i3s n THR 315 Cb 0.85 -0.84 0.45 0.00 -2.10 0.00 0.00 70.33 68.69 2i3s n THR 315 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2i3s n PHE 316 N -1.34 0.64 0.33 4.78 -1.74 -1.26 -2.57 117.46 116.30 2i3s n PHE 316 Ca 0.07 0.26 0.08 0.00 -0.56 0.00 0.00 57.45 57.31 2i3s n PHE 316 Cb 0.16 -0.92 0.38 0.00 1.52 0.00 0.00 39.48 40.62 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 -2.09 0.10 -0.29 3.97 2.85 -0.96 -1.95 118.16 119.79 2i3s n LYS 317 Ca 0.02 0.42 0.07 0.00 -1.05 0.00 0.00 58.31 57.77 2i3s n LYS 317 Cb 0.20 -1.72 0.20 0.00 -0.65 0.00 0.00 35.03 33.06 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 -1.90 1.73 -2.22 0.58 -2.24 -1.06 -5.03 114.28 104.13 2i3s n THR 318 Ca 0.02 -1.55 -0.34 0.00 -2.27 0.00 0.00 64.05 59.90 2i3s n THR 318 Cb 0.15 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.63 5.78 0.31 3.42 -0.87 -0.82 -4.95 114.94 116.18 2i3s s ASN 319 Ca 0.32 2.05 0.02 0.00 -1.57 0.00 0.00 52.86 53.68 2i3s s ASN 319 Cb 0.24 -2.57 0.50 0.00 -0.02 0.00 0.00 41.25 39.40 2i3s s ASN 319 CO 0.10 -1.18 1.84 0.00 -2.57 0.00 0.00 177.10 175.29 2i3s h ALA 320 N 1.02 1.28 -2.95 0.60 0.00 -1.96 -3.46 119.26 113.79 2i3s h ALA 320 Ca -0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2i3s h ALA 320 Cb 1.25 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2i3s h ALA 320 CO 0.57 0.49 0.15 0.00 0.00 0.00 0.00 179.25 180.46 2i3s s ALA 321 N -5.03 -1.33 0.28 0.00 0.00 -1.26 -5.05 121.76 109.38 2i3s s ALA 321 Ca -0.08 0.14 0.22 0.00 0.00 0.00 0.00 51.96 52.24 2i3s s ALA 321 Cb 0.15 0.86 1.03 0.00 0.00 0.00 0.00 23.12 25.16 2i3s s ALA 321 CO 0.78 -0.82 1.90 0.97 0.00 0.00 0.00 175.76 178.59 2i3s h ILE 322 N 2.08 0.74 -0.22 0.00 -0.00 -1.97 -2.60 117.51 115.53 2i3s h ILE 322 Ca -0.30 -1.01 0.00 0.00 -0.00 0.00 0.00 64.86 63.55 2i3s h ILE 322 Cb 1.28 1.63 0.00 0.00 -0.00 0.00 0.00 36.82 39.74 2i3s h ILE 322 CO 0.36 0.24 0.00 -0.90 -0.00 0.00 0.00 178.15 177.85 2i3s n ASP 323 N -3.62 1.30 -4.73 2.19 5.75 -1.26 -4.88 116.55 111.30 2i3s n ASP 323 Ca -0.01 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.34 2i3s n ASP 323 Cb 0.37 -0.18 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 2i3s n ASP 323 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2i3s s GLN 324 N -1.69 4.68 0.26 0.11 0.74 -0.98 -4.98 119.66 117.81 2i3s s GLN 324 Ca 0.15 1.53 -0.30 0.00 0.05 0.00 0.00 55.36 56.79 2i3s s GLN 324 Cb 0.08 -3.34 -0.13 0.00 1.10 0.00 0.00 33.01 30.72 2i3s s GLN 324 CO 0.10 0.20 1.32 2.41 -0.55 0.00 0.00 175.29 178.77 2i3s n THR 325 N 2.56 1.30 -4.31 -0.34 -1.04 -1.26 -4.99 114.28 106.21 2i3s n THR 325 Ca 0.02 -0.33 -0.19 0.00 -2.04 0.00 0.00 64.05 61.52 2i3s n THR 325 Cb 0.48 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 67.46 2i3s n THR 325 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2i3s s ILE 326 N -0.42 0.95 -0.25 12.58 1.01 -1.26 -5.12 121.20 128.70 2i3s s ILE 326 Ca 0.64 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2i3s s ILE 326 Cb -0.65 -0.87 0.10 0.00 0.01 0.00 0.00 42.46 41.05 2i3s s ILE 326 CO 0.54 -0.01 0.17 -0.70 0.00 0.00 0.00 174.94 174.93 2i3s s GLU 327 N -1.02 0.18 0.09 2.79 2.56 -1.26 -5.16 118.70 116.89 2i3s s GLU 327 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.97 54.77 2i3s s GLU 327 Cb -0.07 -1.24 -0.04 0.00 2.00 0.00 0.00 34.13 34.77 2i3s s GLU 327 CO 0.01 -0.87 0.13 -0.51 -0.56 0.00 0.00 175.26 173.46 2i3s s LEU 328 N 2.20 3.98 0.72 2.70 1.02 -1.26 -5.10 118.68 122.94 2i3s s LEU 328 Ca 0.07 0.06 -0.11 0.00 0.02 0.00 0.00 54.13 54.17 2i3s s LEU 328 Cb -0.16 -2.62 0.02 0.00 0.02 0.00 0.00 46.19 43.45 2i3s s LEU 328 CO -0.25 0.15 1.07 0.20 0.02 0.00 0.00 176.35 177.54 2i3s s ASN 329 N -2.57 5.18 0.40 2.29 0.01 -1.26 -5.02 114.94 113.98 2i3s s ASN 329 Ca 0.31 1.47 -0.24 0.00 -0.71 0.00 0.00 52.86 53.70 2i3s s ASN 329 Cb -0.12 -2.32 -0.09 0.00 0.41 0.00 0.00 41.25 39.13 2i3s s ASN 329 CO 0.24 -1.55 1.05 0.00 -1.51 0.00 0.00 177.10 175.33 2i3s s ALA 330 N -3.11 3.08 0.75 0.60 0.00 -1.26 -4.24 121.76 117.58 2i3s s ALA 330 Ca 0.59 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 2i3s s ALA 330 Cb -0.14 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2i3s s ALA 330 CO 0.54 -0.23 1.08 -1.12 0.00 0.00 0.00 175.76 176.03 2i3s s SER 331 N -1.57 4.88 0.03 0.00 0.01 -0.69 -4.77 113.70 111.60 2i3s s SER 331 Ca 0.58 1.52 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2i3s s SER 331 Cb -0.22 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2i3s s SER 331 CO 0.28 -1.75 -0.04 -0.44 0.41 0.00 0.00 173.24 171.70 2i3s s SER 332 N -3.78 0.40 -0.02 2.44 0.01 -0.19 -4.78 113.70 107.78 2i3s s SER 332 Ca 0.60 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 57.31 2i3s s SER 332 Cb -0.15 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 2i3s s SER 332 CO 0.55 -0.32 -0.13 -0.63 0.41 0.00 0.00 173.24 173.12 2i3s s ILE 333 N -1.79 1.04 0.09 1.44 1.01 -1.26 -0.70 121.20 121.02 2i3s s ILE 333 Ca -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2i3s s ILE 333 Cb -0.07 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2i3s s ILE 333 CO -0.02 0.30 -0.07 -0.31 0.00 0.00 0.00 174.94 174.85 2i3s s TYR 334 N -0.08 0.85 -0.00 3.97 1.51 -0.65 -0.42 117.35 122.54 2i3s s TYR 334 Ca 0.01 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.29 2i3s s TYR 334 Cb -0.07 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.27 2i3s s TYR 334 CO 0.00 -0.13 -0.15 -1.50 -1.11 0.00 0.00 175.55 172.66 2i3s s ILE 335 N -3.16 1.19 -0.34 2.71 2.07 -0.48 -1.04 121.20 122.13 2i3s s ILE 335 Ca 0.07 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2i3s s ILE 335 Cb 0.02 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.70 2i3s s ILE 335 CO -0.04 0.28 0.06 -0.63 -1.91 0.00 0.00 174.94 172.71 2i3s s ILE 336 N -0.44 2.67 0.30 2.00 1.01 0.55 -1.82 121.20 125.47 2i3s s ILE 336 Ca 0.05 -2.01 -0.28 0.00 0.00 0.00 0.00 60.65 58.41 2i3s s ILE 336 Cb -0.06 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 2i3s s ILE 336 CO -0.00 -0.47 1.08 -0.36 0.00 0.00 0.00 174.94 175.19 2i3s s PHE 337 N 1.06 3.54 -1.50 3.97 0.08 -0.40 -2.46 117.98 122.27 2i3s s PHE 337 Ca 0.05 1.70 -0.09 0.00 0.12 0.00 0.00 56.93 58.71 2i3s s PHE 337 Cb -0.20 -3.23 0.07 0.00 -0.57 0.00 0.00 43.02 39.08 2i3s s PHE 337 CO -0.05 -0.50 0.77 -0.25 -0.10 0.00 0.00 175.22 175.09 2i3s n ASP 338 N 0.93 -2.82 0.27 1.36 10.43 -1.11 -1.93 116.55 123.67 2i3s n ASP 338 Ca 0.00 -0.88 0.18 0.00 2.57 0.00 0.00 54.79 56.66 2i3s n ASP 338 Cb 0.46 -3.51 0.93 0.00 1.84 0.00 0.00 41.12 40.85 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 -1.87 0.00 0.00 1.24 -0.00 -1.72 -3.34 116.97 111.28 2i3s h TYR 339 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.13 2i3s h TYR 339 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.10 2i3s h TYR 339 CO 0.55 0.00 0.00 -0.85 -0.00 0.00 0.00 178.16 177.86