#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lce h LEU 2 N 0.00 0.28 -1.22 4.03 5.85 -1.98 -1.70 115.31 120.58 1lce h LEU 2 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1lce h LEU 2 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1lce h LEU 2 CO 0.00 0.16 0.00 -1.84 -0.34 0.00 0.00 178.44 176.42 1lce n GLU 3 N -4.46 1.80 0.19 1.25 0.28 -1.26 -4.57 120.64 113.88 1lce n GLU 3 Ca 0.10 -1.20 0.03 0.00 -0.16 0.00 0.00 57.16 55.93 1lce n GLU 3 Cb 0.44 -1.41 0.37 0.00 1.43 0.00 0.00 31.44 32.28 1lce n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1lce h GLN 4 N 2.44 0.00 -0.68 3.44 5.75 -1.72 -2.55 115.11 121.80 1lce h GLN 4 Ca 0.00 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.70 1lce h GLN 4 Cb 0.54 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1lce h GLN 4 CO 0.00 0.36 0.69 -1.35 -2.65 0.00 0.00 178.83 175.88 1lce h PRO 5 N 0.00 0.00 0.03 -2.39 0.11 -1.84 -1.37 132.00 126.54 1lce h PRO 5 Ca -0.00 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 1lce h PRO 5 Cb 0.64 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.76 1lce h PRO 5 CO 0.05 0.00 -1.02 -0.92 -0.21 0.00 0.00 178.00 175.89 1lce h TYR 6 N 0.00 0.71 -0.21 0.65 3.20 -1.80 -3.03 116.97 116.48 1lce h TYR 6 Ca 0.32 -0.40 -0.19 0.00 3.14 0.00 0.00 58.73 61.60 1lce h TYR 6 Cb 1.70 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.91 1lce h TYR 6 CO 0.00 1.24 -0.59 -0.07 -1.64 0.00 0.00 178.16 177.10 1lce h LEU 7 N 0.24 0.89 -0.60 2.82 3.38 -1.49 0.18 115.31 120.73 1lce h LEU 7 Ca -0.11 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1lce h LEU 7 Cb 1.68 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1lce h LEU 7 CO 0.18 1.31 0.00 0.44 0.09 0.00 0.00 178.44 180.46 1lce h ASP 8 N 0.51 0.00 0.16 -0.43 5.19 -1.38 -0.18 116.42 120.29 1lce h ASP 8 Ca -0.01 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.27 1lce h ASP 8 Cb 1.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 1lce h ASP 8 CO 0.13 0.00 -1.96 -0.11 -3.12 0.00 0.00 179.24 174.18 1lce n LEU 9 N -2.42 0.17 -0.01 1.55 -0.00 -1.07 -3.87 117.00 111.35 1lce n LEU 9 Ca 0.03 0.07 -0.17 0.00 -0.00 0.00 0.00 56.01 55.94 1lce n LEU 9 Cb 0.31 0.14 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 1lce n LEU 9 CO 0.24 0.14 0.29 0.00 -0.00 0.00 0.00 177.39 178.07 1lce h ALA 10 N 1.66 0.02 0.00 1.96 0.00 0.64 -2.58 119.26 120.96 1lce h ALA 10 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1lce h ALA 10 Cb 1.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1lce h ALA 10 CO 0.01 0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.82 1lce n LYS 11 N -4.37 0.42 -0.02 0.00 2.85 -0.20 -1.82 118.16 115.01 1lce n LYS 11 Ca -0.11 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1lce n LYS 11 Cb 0.60 -1.03 -0.05 0.00 -0.65 0.00 0.00 35.03 33.91 1lce n LYS 11 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1lce n LYS 12 N -0.53 1.74 -0.03 -1.58 4.81 -1.18 -4.53 118.16 116.86 1lce n LYS 12 Ca 0.01 -0.03 -0.14 0.00 -0.87 0.00 0.00 58.31 57.28 1lce n LYS 12 Cb 0.00 -1.16 -0.10 0.00 0.02 0.00 0.00 35.03 33.79 1lce n LYS 12 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1lce h VAL 13 N 0.00 1.48 -2.83 3.15 2.07 -0.94 -2.66 116.25 116.51 1lce h VAL 13 Ca -0.09 -1.53 -0.53 0.00 0.82 0.00 0.00 66.70 65.37 1lce h VAL 13 Cb 0.90 2.43 0.03 0.00 -1.52 0.00 0.00 31.29 33.13 1lce h VAL 13 CO 0.01 0.41 0.87 -0.22 0.02 0.00 0.00 177.57 178.66 1lce s LEU 14 N -8.90 4.36 -0.98 2.57 2.96 -0.87 0.33 118.68 118.16 1lce s LEU 14 Ca -0.16 2.44 -0.14 0.00 -0.22 0.00 0.00 54.13 56.05 1lce s LEU 14 Cb 0.01 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.14 1lce s LEU 14 CO 0.71 -0.79 0.66 -0.90 -1.32 0.00 0.00 176.35 174.70 1lce n ASP 15 N 4.67 -4.87 0.00 3.68 5.68 -1.26 -4.43 116.55 120.01 1lce n ASP 15 Ca 0.14 -1.02 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 1lce n ASP 15 Cb 0.41 -2.09 0.00 0.00 -1.14 0.00 0.00 41.12 38.30 1lce n ASP 15 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1lce n GLU 16 N -3.53 0.00 -1.96 0.11 2.13 -1.24 -4.85 120.64 111.31 1lce n GLU 16 Ca -0.21 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.23 1lce n GLU 16 Cb 0.63 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.35 1lce n GLU 16 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1lce s GLY 17 N 0.00 2.88 0.11 8.31 0.00 0.15 -4.99 107.32 113.78 1lce s GLY 17 Ca 0.00 1.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.95 1lce s GLY 17 CO 0.00 1.78 0.28 -2.38 0.00 0.00 0.00 173.10 172.77 1lce s HIS 18 N -1.33 3.50 -0.50 1.90 -3.43 -1.07 -4.81 115.29 109.55 1lce s HIS 18 Ca 0.64 0.29 -0.27 0.00 -0.80 0.00 0.00 55.06 54.92 1lce s HIS 18 Cb -0.38 -1.80 -0.01 0.00 -1.43 0.00 0.00 32.58 28.96 1lce s HIS 18 CO 0.46 0.52 1.77 0.12 -2.00 0.00 0.00 174.74 175.61 1lce s PHE 19 N -1.63 1.82 -0.15 0.38 2.19 -1.25 -1.83 117.98 117.52 1lce s PHE 19 Ca 0.36 0.70 -0.14 0.00 0.33 0.00 0.00 56.93 58.19 1lce s PHE 19 Cb -0.12 -4.14 -0.05 0.00 -1.31 0.00 0.00 43.02 37.40 1lce s PHE 19 CO 0.28 -2.46 0.30 0.21 1.83 0.00 0.00 175.22 175.38 1lce s LYS 20 N 6.30 4.19 0.06 10.12 2.47 0.74 -4.87 119.74 138.75 1lce s LYS 20 Ca 0.69 0.12 -0.12 0.00 -1.56 0.00 0.00 55.97 55.10 1lce s LYS 20 Cb -0.16 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.79 1lce s LYS 20 CO 0.26 0.30 1.12 -2.30 0.16 0.00 0.00 175.35 174.89 1lce n PRO 21 N 3.36 -0.17 -0.02 4.03 -0.02 -1.26 0.76 135.00 141.68 1lce n PRO 21 Ca -0.12 1.11 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1lce n PRO 21 Cb 0.52 -1.64 -0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1lce n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1lce n ASP 22 N -3.85 -0.20 0.03 2.55 5.75 -1.26 -1.11 116.55 118.46 1lce n ASP 22 Ca 0.01 0.02 -0.02 0.00 -0.01 0.00 0.00 54.79 54.79 1lce n ASP 22 Cb 0.10 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1lce n ASP 22 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1lce h ARG 23 N 0.00 -0.10 -2.94 0.11 3.08 -2.02 -3.39 114.38 109.11 1lce h ARG 23 Ca 0.00 0.01 -0.43 0.00 0.07 0.00 0.00 59.98 59.63 1lce h ARG 23 Cb 0.02 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1lce h ARG 23 CO 0.00 -0.07 2.36 2.41 -1.07 0.00 0.00 179.97 183.60 1lce n THR 24 N -2.81 3.16 0.00 2.04 -1.04 -1.26 -4.82 114.28 109.55 1lce n THR 24 Ca -0.01 -1.82 0.00 0.00 -2.04 0.00 0.00 64.05 60.17 1lce n THR 24 Cb 0.04 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.29 1lce n THR 24 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1lce n HIS 25 N 3.54 0.00 -0.94 -1.42 8.25 -1.26 -4.64 115.22 118.75 1lce n HIS 25 Ca 0.55 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 58.02 1lce n HIS 25 Cb 0.33 0.00 0.36 0.00 1.12 0.00 0.00 29.99 31.80 1lce n HIS 25 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1lce n THR 26 N 0.00 2.83 -1.51 1.59 -1.04 -1.26 -4.96 114.28 109.93 1lce n THR 26 Ca 0.00 -1.48 0.00 0.00 -2.04 0.00 0.00 64.05 60.53 1lce n THR 26 Cb 0.00 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1lce n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lce n GLY 27 N 0.29 -3.32 3.28 3.41 0.00 -0.27 -3.64 105.19 104.94 1lce n GLY 27 Ca 0.34 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1lce n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lce s THR 28 N -4.39 0.68 -0.29 2.61 -4.23 0.23 -1.49 115.64 108.77 1lce s THR 28 Ca 0.00 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1lce s THR 28 Cb 0.00 -2.34 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1lce s THR 28 CO 0.00 -0.28 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.46 1lce s TYR 29 N -3.66 3.30 0.33 3.99 2.02 -1.17 -0.19 117.35 121.98 1lce s TYR 29 Ca 0.30 -2.51 0.03 0.00 -0.37 0.00 0.00 57.07 54.52 1lce s TYR 29 Cb 0.07 -2.28 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1lce s TYR 29 CO 0.08 -0.90 0.49 0.45 -1.57 0.00 0.00 175.55 174.11 1lce s SER 30 N 1.08 6.15 0.07 2.29 0.15 -0.76 -1.94 113.70 120.75 1lce s SER 30 Ca 0.00 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 1lce s SER 30 Cb -0.19 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1lce s SER 30 CO -0.07 -0.33 0.05 0.27 1.20 0.00 0.00 173.24 174.36 1lce s ILE 31 N -2.22 0.18 -0.20 6.45 -4.36 -0.13 -2.59 121.20 118.32 1lce s ILE 31 Ca 0.41 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1lce s ILE 31 Cb -0.09 -1.55 0.05 0.00 1.25 0.00 0.00 42.46 42.11 1lce s ILE 31 CO 0.33 -0.82 -0.08 0.12 0.24 0.00 0.00 174.94 174.74 1lce s PHE 32 N -3.92 2.25 0.00 1.37 5.36 -1.25 -2.30 117.98 119.49 1lce s PHE 32 Ca 0.09 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.53 1lce s PHE 32 Cb 0.07 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 1lce s PHE 32 CO -0.08 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.36 1lce n GLY 33 N 4.72 1.15 3.58 13.12 0.00 -0.74 -5.02 105.19 122.02 1lce n GLY 33 Ca -0.13 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 1lce n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lce s HIS 34 N 0.00 -1.02 -0.17 1.61 2.46 -0.84 -4.98 115.29 112.35 1lce s HIS 34 Ca 0.00 2.03 -0.04 0.00 0.47 0.00 0.00 55.06 57.52 1lce s HIS 34 Cb 0.00 0.60 -0.03 0.00 -0.13 0.00 0.00 32.58 33.02 1lce s HIS 34 CO 0.00 -0.51 -0.02 -1.14 -2.47 0.00 0.00 174.74 170.59 1lce s GLN 35 N 1.72 3.65 0.06 2.88 0.74 -1.26 -0.93 119.66 126.52 1lce s GLN 35 Ca -0.09 -0.52 0.06 0.00 0.05 0.00 0.00 55.36 54.86 1lce s GLN 35 Cb -0.06 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 1lce s GLN 35 CO -0.19 0.15 -0.17 0.00 -0.55 0.00 0.00 175.29 174.53 1lce s MET 36 N 0.62 1.08 0.08 1.67 0.23 -0.13 -4.98 119.30 117.88 1lce s MET 36 Ca -0.02 -0.91 0.07 0.00 -1.03 0.00 0.00 55.69 53.80 1lce s MET 36 Cb -0.14 -1.17 -0.04 0.00 -1.53 0.00 0.00 34.83 31.96 1lce s MET 36 CO 0.02 0.28 -0.15 0.50 -2.03 0.00 0.00 175.02 173.65 1lce s ARG 37 N -1.38 2.02 -0.05 3.16 3.52 -1.26 -0.95 118.95 124.00 1lce s ARG 37 Ca 0.04 -1.04 -0.01 0.00 -0.13 0.00 0.00 55.73 54.59 1lce s ARG 37 Cb -0.09 -2.21 0.03 0.00 -1.56 0.00 0.00 34.95 31.12 1lce s ARG 37 CO 0.02 0.52 0.02 -0.06 -0.81 0.00 0.00 175.30 174.98 1lce s PHE 38 N -1.08 0.37 -0.26 5.12 0.08 -0.02 -4.81 117.98 117.38 1lce s PHE 38 Ca 0.18 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.15 1lce s PHE 38 Cb -0.11 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 1lce s PHE 38 CO 0.09 -0.21 0.12 0.34 -0.10 0.00 0.00 175.22 175.45 1lce s ASP 39 N 1.64 5.52 0.00 1.36 -1.08 -1.26 0.26 116.67 123.11 1lce s ASP 39 Ca -0.01 -0.11 0.26 0.00 -0.52 0.00 0.00 52.55 52.18 1lce s ASP 39 Cb -0.13 -2.00 0.72 0.00 -1.46 0.00 0.00 42.92 40.05 1lce s ASP 39 CO -0.03 -0.02 1.57 0.18 0.52 0.00 0.00 175.17 177.38 1lce n LEU 40 N 4.86 0.40 -0.07 -1.34 4.77 0.16 -3.40 117.00 122.38 1lce n LEU 40 Ca -0.15 0.11 0.15 0.00 -0.03 0.00 0.00 56.01 56.09 1lce n LEU 40 Cb 0.52 -0.30 0.77 0.00 -2.33 0.00 0.00 43.42 42.08 1lce n LEU 40 CO 0.32 0.10 1.00 -1.54 -1.33 0.00 0.00 177.39 175.94 1lce n SER 41 N -1.44 0.26 0.18 -1.43 3.41 -1.25 -3.10 113.62 110.26 1lce n SER 41 Ca 0.07 -0.72 0.05 0.00 -0.26 0.00 0.00 58.87 58.01 1lce n SER 41 Cb 0.33 -0.09 0.27 0.00 -0.26 0.00 0.00 64.21 64.46 1lce n SER 41 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1lce h LYS 42 N 0.37 0.00 0.00 4.33 1.79 -1.92 -3.49 116.57 117.65 1lce h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1lce h LYS 42 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1lce h LYS 42 CO 0.00 0.40 0.00 0.41 -1.08 0.00 0.00 179.45 179.18 1lce n GLY 43 N 0.47 -1.12 3.85 3.86 0.00 -1.18 -4.97 105.19 106.10 1lce n GLY 43 Ca 0.00 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1lce n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lce s PHE 44 N -2.72 3.60 -0.09 1.61 5.36 0.72 -4.59 117.98 121.88 1lce s PHE 44 Ca 0.00 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1lce s PHE 44 Cb 0.00 -2.05 0.09 0.00 -0.34 0.00 0.00 43.02 40.72 1lce s PHE 44 CO 0.00 0.66 1.58 -0.35 -1.46 0.00 0.00 175.22 175.64 1lce n PRO 45 N 2.16 1.23 -4.01 10.12 -0.04 -1.26 -4.09 135.00 139.12 1lce n PRO 45 Ca -0.18 -0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 62.58 1lce n PRO 45 Cb 0.54 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 1lce n PRO 45 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1lce s LEU 46 N -0.55 3.96 0.20 1.53 0.05 -1.26 -4.65 118.68 117.95 1lce s LEU 46 Ca 0.09 -0.17 -0.30 0.00 0.05 0.00 0.00 54.13 53.80 1lce s LEU 46 Cb 0.08 -2.52 -0.09 0.00 -2.05 0.00 0.00 46.19 41.61 1lce s LEU 46 CO 0.01 -0.10 1.42 -0.76 -0.55 0.00 0.00 176.35 176.37 1lce s LEU 47 N -3.92 4.39 0.07 1.48 1.02 -1.26 -4.70 118.68 115.75 1lce s LEU 47 Ca 0.35 2.53 0.22 0.00 0.02 0.00 0.00 54.13 57.24 1lce s LEU 47 Cb -0.08 -3.61 -0.19 0.00 0.02 0.00 0.00 46.19 42.33 1lce s LEU 47 CO 0.27 -0.67 0.72 0.35 0.02 0.00 0.00 176.35 177.03 1lce n THR 48 N 2.98 0.34 -2.37 5.49 -2.24 -1.26 -4.59 114.28 112.62 1lce n THR 48 Ca 0.09 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1lce n THR 48 Cb 0.41 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1lce n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1lce n THR 49 N -2.47 4.04 0.00 4.28 -2.24 -1.26 -1.51 114.28 115.13 1lce n THR 49 Ca -0.03 -4.09 0.00 0.00 -2.27 0.00 0.00 64.05 57.66 1lce n THR 49 Cb 0.59 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.37 1lce n THR 49 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1lce n LYS 50 N 5.55 0.00 -1.64 -0.78 4.81 -1.26 -4.86 118.16 119.99 1lce n LYS 50 Ca 0.44 0.00 -0.55 0.00 -0.87 0.00 0.00 58.31 57.33 1lce n LYS 50 Cb 0.40 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.38 1lce n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1lce n LYS 51 N 0.00 1.26 -4.78 1.64 3.00 -0.23 -4.74 118.16 114.31 1lce n LYS 51 Ca 0.00 0.44 -0.33 0.00 -0.00 0.00 0.00 58.31 58.42 1lce n LYS 51 Cb 0.00 -2.24 -0.13 0.00 0.00 0.00 0.00 35.03 32.66 1lce n LYS 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1lce s VAL 52 N 4.49 3.20 -0.28 3.15 1.01 -1.26 -4.78 120.40 125.93 1lce s VAL 52 Ca 1.01 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1lce s VAL 52 Cb -0.99 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1lce s VAL 52 CO 0.60 0.56 1.28 -2.84 0.00 0.00 0.00 175.10 174.70 1lce s PRO 53 N -0.22 3.98 0.02 2.72 0.02 -1.26 -5.02 135.00 135.24 1lce s PRO 53 Ca 0.01 1.30 0.12 0.00 0.02 0.00 0.00 61.00 62.45 1lce s PRO 53 Cb -0.13 -3.85 -0.20 0.00 0.02 0.00 0.00 34.50 30.34 1lce s PRO 53 CO 0.03 -1.04 0.85 0.35 -0.33 0.00 0.00 177.00 176.86 1lce h PHE 54 N 9.03 0.00 0.00 6.54 3.57 -2.01 -3.11 116.94 130.96 1lce h PHE 54 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1lce h PHE 54 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1lce h PHE 54 CO 0.87 0.91 0.00 0.78 -2.23 0.00 0.00 178.31 178.63 1lce h GLY 55 N 3.44 0.00 0.82 2.40 0.00 -1.98 -1.66 103.07 106.09 1lce h GLY 55 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.92 1lce h GLY 55 CO 0.08 0.00 -0.90 1.41 0.00 0.00 0.00 176.54 177.13 1lce h LEU 56 N 0.00 0.56 0.06 3.11 4.07 -1.96 -2.58 115.31 118.58 1lce h LEU 56 Ca 0.00 -0.91 -0.00 0.00 0.08 0.00 0.00 57.88 57.05 1lce h LEU 56 Cb 0.27 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1lce h LEU 56 CO 0.00 1.43 -0.03 0.40 -1.08 0.00 0.00 178.44 179.16 1lce h ILE 57 N -0.21 1.09 -0.03 1.22 2.04 -1.63 -0.30 117.51 119.69 1lce h ILE 57 Ca -0.15 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1lce h ILE 57 Cb 1.68 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1lce h ILE 57 CO 0.17 0.13 -0.12 0.11 0.00 0.00 0.00 178.15 178.44 1lce h LYS 58 N -0.32 -0.13 -0.30 2.37 1.57 -1.41 -0.91 116.57 117.45 1lce h LYS 58 Ca -0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1lce h LYS 58 Cb 0.28 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1lce h LYS 58 CO 0.01 -0.09 0.26 0.66 -0.57 0.00 0.00 179.45 179.72 1lce h SER 59 N -0.13 0.00 -0.01 0.86 4.64 -1.28 0.39 113.55 118.02 1lce h SER 59 Ca 0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1lce h SER 59 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1lce h SER 59 CO -0.10 0.00 -0.62 -0.08 -0.87 0.00 0.00 176.83 175.16 1lce h GLU 60 N 0.00 0.44 -0.03 4.77 4.81 -0.29 -1.29 114.58 122.99 1lce h GLU 60 Ca 0.14 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 1lce h GLU 60 Cb 0.65 0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.17 1lce h GLU 60 CO -0.00 1.11 -0.39 1.25 -0.73 0.00 0.00 179.01 180.25 1lce h LEU 61 N -0.05 0.40 -0.82 1.64 6.46 0.18 0.67 115.31 123.78 1lce h LEU 61 Ca -0.07 -0.72 0.20 0.00 -0.12 0.00 0.00 57.88 57.16 1lce h LEU 61 Cb 1.32 -0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 41.01 1lce h LEU 61 CO 0.12 1.06 0.25 0.25 -0.62 0.00 0.00 178.44 179.50 1lce h LEU 62 N -0.23 0.09 0.01 2.25 5.85 -1.02 0.30 115.31 122.55 1lce h LEU 62 Ca -0.04 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1lce h LEU 62 Cb 1.09 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1lce h LEU 62 CO 0.08 -0.06 -0.00 -0.25 -0.34 0.00 0.00 178.44 177.86 1lce h TRP 63 N 0.29 -0.01 -0.94 1.25 7.01 -0.82 -2.17 115.95 120.56 1lce h TRP 63 Ca 0.49 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.54 1lce h TRP 63 Cb 0.92 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.92 1lce h TRP 63 CO -0.23 0.12 0.62 0.74 -2.79 0.00 0.00 178.44 176.89 1lce h PHE 64 N -0.14 1.14 0.00 2.65 0.04 0.11 -2.71 116.94 118.04 1lce h PHE 64 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1lce h PHE 64 Cb 0.13 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 37.90 1lce h PHE 64 CO -0.03 0.65 0.00 -0.07 -0.60 0.00 0.00 178.31 178.25 1lce h LEU 65 N 1.16 0.00 -0.00 1.54 3.38 -0.06 0.13 115.31 121.46 1lce h LEU 65 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1lce h LEU 65 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1lce h LEU 65 CO -0.12 0.00 -0.00 1.41 0.09 0.00 0.00 178.44 179.82 1lce n HIS 66 N -2.36 0.00 -1.06 1.13 8.25 -0.86 -4.88 115.22 115.45 1lce n HIS 66 Ca 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1lce n HIS 66 Cb 0.34 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1lce n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lce n GLY 67 N 1.25 0.40 3.75 -1.41 0.00 0.03 -4.93 105.19 104.28 1lce n GLY 67 Ca 0.16 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1lce n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lce s ASP 68 N -2.15 7.50 -0.17 1.61 -1.08 -1.22 -4.34 116.67 116.81 1lce s ASP 68 Ca 0.00 2.00 0.15 0.00 -0.52 0.00 0.00 52.55 54.18 1lce s ASP 68 Cb 0.00 -2.61 0.37 0.00 -1.46 0.00 0.00 42.92 39.22 1lce s ASP 68 CO 0.00 0.01 1.22 0.35 0.52 0.00 0.00 175.17 177.27 1lce n THR 69 N 1.80 2.09 -4.75 1.71 -2.24 -1.26 -4.40 114.28 107.23 1lce n THR 69 Ca -0.00 -2.63 -0.33 0.00 -2.27 0.00 0.00 64.05 58.82 1lce n THR 69 Cb 0.47 -0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 1lce n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1lce s ASN 70 N -2.91 3.68 0.54 3.42 3.84 -1.26 -1.52 114.94 120.72 1lce s ASN 70 Ca 0.36 -0.44 0.23 0.00 0.21 0.00 0.00 52.86 53.22 1lce s ASN 70 Cb 0.33 -1.55 1.49 0.00 -0.55 0.00 0.00 41.25 40.96 1lce s ASN 70 CO -0.00 0.13 2.17 0.40 -2.79 0.00 0.00 177.10 177.00 1lce h ILE 71 N 5.58 0.78 -0.16 -5.21 1.08 -1.87 -2.29 117.51 115.42 1lce h ILE 71 Ca -0.27 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 1lce h ILE 71 Cb 1.21 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 1lce h ILE 71 CO 0.55 0.03 0.24 -0.09 -0.69 0.00 0.00 178.15 178.19 1lce h ARG 72 N 0.00 0.00 0.14 2.37 2.43 -1.84 0.54 114.38 118.02 1lce h ARG 72 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1lce h ARG 72 Cb 0.07 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1lce h ARG 72 CO 0.00 0.00 -1.26 0.35 -1.51 0.00 0.00 179.97 177.55 1lce h PHE 73 N 0.00 0.65 -0.41 2.20 3.57 -1.81 -3.06 116.94 118.09 1lce h PHE 73 Ca 0.08 -0.46 -0.07 0.00 3.53 0.00 0.00 57.97 61.05 1lce h PHE 73 Cb 0.55 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1lce h PHE 73 CO 0.00 1.34 -0.04 -0.07 -2.23 0.00 0.00 178.31 177.31 1lce h LEU 74 N 0.12 0.74 -0.56 0.59 3.38 -0.15 -2.18 115.31 117.25 1lce h LEU 74 Ca -0.16 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 1lce h LEU 74 Cb 1.97 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1lce h LEU 74 CO 0.22 0.89 0.14 -0.07 0.09 0.00 0.00 178.44 179.71 1lce h LEU 75 N 0.57 0.84 -0.81 1.67 3.38 -0.95 0.64 115.31 120.65 1lce h LEU 75 Ca 0.11 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1lce h LEU 75 Cb 0.54 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1lce h LEU 75 CO 0.03 0.86 0.48 -0.61 0.09 0.00 0.00 178.44 179.28 1lce h GLN 76 N 0.79 0.80 0.00 1.13 4.15 -1.40 0.73 115.11 121.32 1lce h GLN 76 Ca 0.18 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 1lce h GLN 76 Cb 0.34 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1lce h GLN 76 CO 0.00 0.53 -0.35 0.45 -1.93 0.00 0.00 178.83 177.53 1lce h HIS 77 N 0.82 0.00 0.00 3.99 3.86 -0.66 -3.47 115.15 119.69 1lce h HIS 77 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1lce h HIS 77 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1lce h HIS 77 CO -0.06 0.35 0.00 0.54 0.86 0.00 0.00 177.93 179.63 1lce n ARG 78 N -3.39 0.00 -4.27 2.45 1.74 0.25 -5.11 116.66 108.33 1lce n ARG 78 Ca 0.01 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1lce n ARG 78 Cb 0.55 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.86 1lce n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1lce s ASN 79 N -2.00 4.73 -0.02 0.55 3.84 0.09 -4.97 114.94 117.16 1lce s ASN 79 Ca 0.00 -0.18 0.03 0.00 0.21 0.00 0.00 52.86 52.92 1lce s ASN 79 Cb 0.00 -1.79 0.05 0.00 -0.55 0.00 0.00 41.25 38.97 1lce s ASN 79 CO 0.00 0.12 0.92 1.41 -2.79 0.00 0.00 177.10 176.75 1lce n HIS 80 N 3.88 0.00 -0.39 0.43 8.25 -1.26 -3.86 115.22 122.27 1lce n HIS 80 Ca -0.17 -0.22 0.36 0.00 -0.26 0.00 0.00 57.72 57.42 1lce n HIS 80 Cb 0.52 -0.06 0.63 0.00 1.12 0.00 0.00 29.99 32.20 1lce n HIS 80 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1lce n ILE 81 N -0.30 -0.35 0.13 1.59 5.41 -1.26 -1.65 119.36 122.92 1lce n ILE 81 Ca 0.03 1.94 0.11 0.00 1.00 0.00 0.00 62.75 65.83 1lce n ILE 81 Cb 0.61 -3.16 0.03 0.00 -0.71 0.00 0.00 39.64 36.41 1lce n ILE 81 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1lce h TRP 82 N 0.00 0.00 -0.44 1.39 4.06 -2.02 -3.43 115.95 115.51 1lce h TRP 82 Ca 0.87 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.88 1lce h TRP 82 Cb 2.51 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 30.60 1lce h TRP 82 CO -0.01 0.01 -0.18 -0.25 -3.56 0.00 0.00 178.44 174.45 1lce n ASP 83 N -2.77 -0.31 0.32 -3.49 8.00 -0.66 -3.52 116.55 114.13 1lce n ASP 83 Ca 0.01 0.77 0.20 0.00 0.71 0.00 0.00 54.79 56.48 1lce n ASP 83 Cb 0.55 -0.17 1.05 0.00 -0.02 0.00 0.00 41.12 42.53 1lce n ASP 83 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1lce h GLU 84 N 0.00 0.00 0.00 -1.24 4.81 -1.84 -2.13 114.58 114.17 1lce h GLU 84 Ca 0.14 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.13 1lce h GLU 84 Cb 0.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1lce h GLU 84 CO -0.43 0.01 -1.32 -1.49 -0.73 0.00 0.00 179.01 175.04 1lce h TRP 85 N 0.00 0.00 0.18 0.92 4.06 -1.95 -2.24 115.95 116.92 1lce h TRP 85 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1lce h TRP 85 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1lce h TRP 85 CO 0.00 0.96 -0.20 0.00 -3.56 0.00 0.00 178.44 175.64 1lce h ALA 86 N 1.04 -0.89 -0.89 1.49 0.00 -1.66 0.40 119.26 118.75 1lce h ALA 86 Ca -0.14 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 54.89 1lce h ALA 86 Cb 1.86 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 19.99 1lce h ALA 86 CO 0.10 -0.90 0.43 0.35 0.00 0.00 0.00 179.25 179.22 1lce h PHE 87 N -0.38 0.73 -0.78 0.00 3.57 -1.55 0.20 116.94 118.72 1lce h PHE 87 Ca -0.02 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.67 1lce h PHE 87 Cb 0.33 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 38.79 1lce h PHE 87 CO -0.16 0.05 0.30 0.93 -2.23 0.00 0.00 178.31 177.20 1lce h GLU 88 N 0.50 0.40 0.33 1.11 4.39 -0.28 0.65 114.58 121.67 1lce h GLU 88 Ca 0.53 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.19 1lce h GLU 88 Cb 0.92 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1lce h GLU 88 CO -0.46 0.27 -0.16 0.87 -1.16 0.00 0.00 179.01 178.37 1lce h LYS 89 N 0.41 -0.42 -0.36 2.33 1.57 0.23 -3.18 116.57 117.15 1lce h LYS 89 Ca 0.44 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.31 1lce h LYS 89 Cb 0.71 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1lce h LYS 89 CO -0.44 -0.10 0.06 2.35 -0.57 0.00 0.00 179.45 180.75 1lce h TRP 90 N -0.92 0.09 0.00 -1.35 2.91 0.30 0.01 115.95 116.98 1lce h TRP 90 Ca -0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1lce h TRP 90 Cb 0.52 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.19 1lce h TRP 90 CO 0.04 -0.00 0.00 1.33 -1.03 0.00 0.00 178.44 178.77 1lce n VAL 91 N -5.11 0.70 0.66 2.65 0.24 0.24 -2.15 118.33 115.56 1lce n VAL 91 Ca 0.02 -0.06 0.09 0.00 -2.04 0.00 0.00 64.34 62.35 1lce n VAL 91 Cb 0.17 -0.85 0.26 0.00 -1.47 0.00 0.00 33.84 31.95 1lce n VAL 91 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1lce n LYS 92 N -2.27 2.08 -2.79 7.34 -0.00 -0.04 -4.78 118.16 117.69 1lce n LYS 92 Ca 0.04 -1.65 -0.19 0.00 -0.00 0.00 0.00 58.31 56.50 1lce n LYS 92 Cb 0.34 -1.41 0.03 0.00 -0.00 0.00 0.00 35.03 33.99 1lce n LYS 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1lce s SER 93 N -1.26 5.40 0.13 -5.58 0.15 -0.91 -5.01 113.70 106.62 1lce s SER 93 Ca 0.34 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 1lce s SER 93 Cb 0.18 -0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 63.69 1lce s SER 93 CO 0.25 -1.01 1.43 0.44 1.20 0.00 0.00 173.24 175.55 1lce h ASP 94 N 0.29 0.99 1.33 5.45 3.32 -1.92 -2.58 116.42 123.29 1lce h ASP 94 Ca -0.41 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1lce h ASP 94 Cb 1.29 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1lce h ASP 94 CO 0.49 1.31 0.00 -0.62 -1.72 0.00 0.00 179.24 178.69 1lce n GLU 95 N -4.02 0.19 -0.35 3.56 -0.58 -1.26 -4.35 120.64 113.82 1lce n GLU 95 Ca -0.04 0.16 0.07 0.00 -0.42 0.00 0.00 57.16 56.93 1lce n GLU 95 Cb 0.60 -1.72 0.25 0.00 -0.57 0.00 0.00 31.44 30.01 1lce n GLU 95 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1lce h TYR 96 N 0.00 1.11 0.00 -0.32 3.20 -1.60 -3.44 116.97 115.92 1lce h TYR 96 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1lce h TYR 96 Cb 0.66 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1lce h TYR 96 CO 0.00 0.46 0.00 0.72 -1.64 0.00 0.00 178.16 177.70 1lce n HIS 97 N -4.59 0.00 0.00 -3.82 8.25 -1.26 -4.70 115.22 109.11 1lce n HIS 97 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1lce n HIS 97 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1lce n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lce n GLY 98 N 0.00 4.38 1.21 -1.41 0.00 -1.26 -5.07 105.19 103.03 1lce n GLY 98 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 1lce n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lce n PRO 99 N 0.00 1.12 -2.29 1.61 -0.02 -1.26 -4.82 135.00 129.33 1lce n PRO 99 Ca 0.00 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1lce n PRO 99 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1lce n PRO 99 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1lce n ASP 100 N 0.56 -9.26 -0.16 2.55 2.03 -1.26 -4.99 116.55 106.02 1lce n ASP 100 Ca 0.05 1.75 0.02 0.00 0.52 0.00 0.00 54.79 57.13 1lce n ASP 100 Cb 0.58 -5.14 0.04 0.00 -0.72 0.00 0.00 41.12 35.88 1lce n ASP 100 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1lce n MET 101 N 1.90 2.11 -1.43 -0.67 2.81 -1.26 -4.93 117.12 115.65 1lce n MET 101 Ca 0.00 -1.42 -0.62 0.00 -1.81 0.00 0.00 57.70 53.85 1lce n MET 101 Cb 0.00 -1.07 -0.11 0.00 -0.71 0.00 0.00 33.22 31.33 1lce n MET 101 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1lce n THR 102 N -0.12 0.00 -0.96 2.03 -1.04 -1.26 -1.03 114.28 111.90 1lce n THR 102 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1lce n THR 102 Cb 0.25 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1lce n THR 102 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1lce n ASP 103 N 5.81 -3.99 0.00 8.00 -0.08 -1.26 -4.84 116.55 120.19 1lce n ASP 103 Ca 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 1lce n ASP 103 Cb -0.05 -2.07 0.00 0.00 2.34 0.00 0.00 41.12 41.34 1lce n ASP 103 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1lce n PHE 104 N -2.37 0.00 -0.21 -0.67 -1.74 -0.20 -0.74 117.46 111.52 1lce n PHE 104 Ca 0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 1lce n PHE 104 Cb 0.24 -0.17 -0.09 0.00 1.52 0.00 0.00 39.48 40.97 1lce n PHE 104 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1lce h GLY 105 N 0.00 -1.06 -0.09 4.97 0.00 -1.88 -1.86 103.07 103.15 1lce h GLY 105 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1lce h GLY 105 CO 0.00 -0.13 -0.04 1.42 0.00 0.00 0.00 176.54 177.79 1lce n HIS 106 N -5.13 0.00 0.14 5.60 8.25 0.08 -4.05 115.22 120.11 1lce n HIS 106 Ca -0.02 -0.81 0.04 0.00 -0.26 0.00 0.00 57.72 56.67 1lce n HIS 106 Cb 0.29 -0.12 0.04 0.00 1.12 0.00 0.00 29.99 31.31 1lce n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lce h ARG 107 N 0.00 0.00 -7.11 -0.41 -0.00 -1.58 -3.38 114.38 101.90 1lce h ARG 107 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.97 1lce h ARG 107 Cb 0.95 0.00 0.09 0.00 0.00 0.00 0.00 29.97 31.02 1lce h ARG 107 CO 0.00 0.35 0.44 -1.12 0.00 0.00 0.00 179.97 179.64 1lce s SER 108 N -6.26 5.41 0.00 7.04 0.01 -0.71 -2.61 113.70 116.59 1lce s SER 108 Ca 0.03 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.53 1lce s SER 108 Cb 0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1lce s SER 108 CO 0.74 -1.43 0.00 0.00 0.41 0.00 0.00 173.24 172.96 1lce n GLN 109 N -1.58 0.00 -0.14 12.44 -0.00 -1.26 -4.68 117.38 122.15 1lce n GLN 109 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 1lce n GLN 109 Cb 0.51 -0.12 0.00 0.00 -0.00 0.00 0.00 30.24 30.62 1lce n GLN 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1lce n LYS 110 N 0.00 0.84 0.00 2.61 4.81 -1.07 -4.94 118.16 120.41 1lce n LYS 110 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1lce n LYS 110 Cb 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1lce n LYS 110 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1lce n ASP 111 N 0.92 0.00 0.00 3.14 5.75 -1.18 -4.90 116.55 120.28 1lce n ASP 111 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1lce n ASP 111 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1lce n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1lce n PRO 112 N 0.00 0.00 0.28 0.11 -0.05 -1.26 0.58 135.00 134.67 1lce n PRO 112 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.51 1lce n PRO 112 Cb 0.00 0.00 0.33 0.00 -0.05 0.00 0.00 33.50 33.78 1lce n PRO 112 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1lce h GLU 113 N 0.00 0.00 0.00 0.54 4.81 -1.93 -3.27 114.58 114.73 1lce h GLU 113 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1lce h GLU 113 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1lce h GLU 113 CO 0.00 0.00 -1.58 1.19 -0.73 0.00 0.00 179.01 177.89 1lce n PHE 114 N -2.46 0.22 0.10 0.92 3.01 -1.04 -4.18 117.46 114.03 1lce n PHE 114 Ca -0.01 0.06 -0.04 0.00 1.01 0.00 0.00 57.45 58.48 1lce n PHE 114 Cb 0.65 -0.53 0.02 0.00 -0.01 0.00 0.00 39.48 39.61 1lce n PHE 114 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lce h ALA 115 N 2.17 0.65 -0.00 4.37 0.00 0.08 -3.03 119.26 123.49 1lce h ALA 115 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1lce h ALA 115 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1lce h ALA 115 CO 0.00 1.00 -0.16 0.00 0.00 0.00 0.00 179.25 180.09 1lce n ALA 116 N -2.37 2.57 -0.13 0.00 0.00 -1.26 -4.16 120.51 115.16 1lce n ALA 116 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 1lce n ALA 116 Cb 0.78 -0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 1lce n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lce n VAL 117 N -0.74 1.50 -0.37 0.00 0.31 -1.26 -1.82 118.33 115.95 1lce n VAL 117 Ca 0.01 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 63.99 1lce n VAL 117 Cb 0.09 -1.90 0.13 0.00 -0.91 0.00 0.00 33.84 31.24 1lce n VAL 117 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1lce h TYR 118 N -0.98 1.24 -0.03 3.52 3.20 -1.75 -0.15 116.97 122.02 1lce h TYR 118 Ca -0.65 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.14 1lce h TYR 118 Cb 1.57 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1lce h TYR 118 CO -0.11 0.74 -0.48 0.45 -1.64 0.00 0.00 178.16 177.12 1lce h HIS 119 N 1.30 0.09 -0.16 -3.82 3.86 -1.72 -0.97 115.15 113.73 1lce h HIS 119 Ca 0.39 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.40 1lce h HIS 119 Cb -0.06 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.40 1lce h HIS 119 CO -0.00 0.54 -0.57 1.49 0.86 0.00 0.00 177.93 180.25 1lce h GLU 120 N 0.06 0.66 -0.12 2.45 4.57 -0.86 -2.68 114.58 118.67 1lce h GLU 120 Ca 0.00 -0.50 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1lce h GLU 120 Cb 0.87 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1lce h GLU 120 CO 0.07 1.12 0.08 0.93 -1.18 0.00 0.00 179.01 180.03 1lce h GLU 121 N 0.34 0.09 -0.20 1.92 4.39 -1.05 -2.01 114.58 118.07 1lce h GLU 121 Ca -0.03 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1lce h GLU 121 Cb 1.20 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1lce h GLU 121 CO 0.12 0.06 -0.33 0.52 -1.16 0.00 0.00 179.01 178.22 1lce h MET 122 N 0.10 0.57 0.00 2.33 2.86 -0.82 -1.11 114.93 118.85 1lce h MET 122 Ca 0.05 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.23 1lce h MET 122 Cb 0.08 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1lce h MET 122 CO -0.01 0.96 -0.51 0.00 1.06 0.00 0.00 176.91 178.41 1lce h ALA 123 N 0.61 1.04 -0.30 6.32 0.00 -1.46 0.11 119.26 125.58 1lce h ALA 123 Ca 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1lce h ALA 123 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1lce h ALA 123 CO 0.08 0.64 0.12 -0.22 0.00 0.00 0.00 179.25 179.87 1lce h LYS 124 N 0.00 0.45 -0.32 0.00 3.64 -1.35 -1.72 116.57 117.26 1lce h LYS 124 Ca -0.01 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 1lce h LYS 124 Cb 0.97 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1lce h LYS 124 CO 0.07 0.45 -0.36 0.35 -2.27 0.00 0.00 179.45 177.69 1lce h PHE 125 N 0.34 0.87 0.13 1.91 3.57 -0.81 -3.05 116.94 119.90 1lce h PHE 125 Ca 0.10 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1lce h PHE 125 Cb 0.17 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1lce h PHE 125 CO -0.01 0.99 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.56 1lce h ASP 126 N 0.62 -0.14 -0.19 0.41 5.19 -0.77 -3.04 116.42 118.50 1lce h ASP 126 Ca 0.06 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.13 1lce h ASP 126 Cb 0.90 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1lce h ASP 126 CO 0.08 0.27 0.07 -0.78 -3.12 0.00 0.00 179.24 175.75 1lce h ASP 127 N -0.58 0.32 -0.54 6.45 3.58 -1.36 0.47 116.42 124.75 1lce h ASP 127 Ca -0.02 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1lce h ASP 127 Cb 0.46 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 1lce h ASP 127 CO 0.03 0.33 0.29 -0.09 -2.88 0.00 0.00 179.24 176.92 1lce h ARG 128 N 0.36 0.76 0.00 0.28 2.43 -1.60 -2.61 114.38 114.00 1lce h ARG 128 Ca 0.09 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1lce h ARG 128 Cb 0.13 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1lce h ARG 128 CO -0.00 0.59 -0.28 0.28 -1.51 0.00 0.00 179.97 179.05 1lce h VAL 129 N 0.73 0.77 0.00 0.20 2.07 -0.03 0.51 116.25 120.49 1lce h VAL 129 Ca 0.19 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1lce h VAL 129 Cb 0.06 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1lce h VAL 129 CO -0.03 0.28 -0.18 0.18 0.02 0.00 0.00 177.57 177.84 1lce n LEU 130 N -3.57 0.28 0.00 2.57 4.77 -0.09 -4.51 117.00 116.45 1lce n LEU 130 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1lce n LEU 130 Cb 0.42 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1lce n LEU 130 CO 0.35 0.01 -0.18 1.41 -1.33 0.00 0.00 177.39 177.64 1lce n HIS 131 N -1.64 0.00 -2.39 -1.77 8.25 -0.42 -4.97 115.22 112.29 1lce n HIS 131 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1lce n HIS 131 Cb 0.36 0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 1lce n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1lce s ASP 132 N -4.60 6.72 0.00 0.41 -1.08 0.17 -4.83 116.67 113.46 1lce s ASP 132 Ca 0.00 1.39 0.00 0.00 -0.52 0.00 0.00 52.55 53.42 1lce s ASP 132 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1lce s ASP 132 CO 0.00 -1.01 0.69 0.47 0.52 0.00 0.00 175.17 175.85 1lce n ASP 133 N 7.41 0.45 0.00 -0.34 9.92 -1.26 -1.98 116.55 130.75 1lce n ASP 133 Ca 0.15 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 1lce n ASP 133 Cb 0.46 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1lce n ASP 133 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lce n ALA 134 N -0.24 2.87 -0.31 2.24 0.00 -1.26 -4.46 120.51 119.35 1lce n ALA 134 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1lce n ALA 134 Cb 0.11 0.23 0.33 0.00 0.00 0.00 0.00 19.45 20.13 1lce n ALA 134 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1lce h PHE 135 N 0.00 0.67 -1.00 0.00 3.57 -1.82 1.04 116.94 119.40 1lce h PHE 135 Ca 0.00 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.74 1lce h PHE 135 Cb 0.46 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 38.94 1lce h PHE 135 CO 0.00 -0.08 0.61 0.00 -2.23 0.00 0.00 178.31 176.61 1lce h ALA 136 N 1.74 1.68 0.00 2.41 0.00 -1.63 -2.27 119.26 121.20 1lce h ALA 136 Ca 0.59 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.49 1lce h ALA 136 Cb 1.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1lce h ALA 136 CO -0.56 -0.08 -1.22 0.00 0.00 0.00 0.00 179.25 177.40 1lce h ALA 137 N 1.66 0.60 0.05 0.00 0.00 0.88 -2.08 119.26 120.37 1lce h ALA 137 Ca 0.59 -0.49 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1lce h ALA 137 Cb 0.94 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1lce h ALA 137 CO -0.40 0.54 -1.57 -0.22 0.00 0.00 0.00 179.25 177.60 1lce h LYS 138 N 0.00 0.10 0.00 0.00 3.64 -1.16 -3.41 116.57 115.75 1lce h LYS 138 Ca -0.09 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1lce h LYS 138 Cb 1.34 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1lce h LYS 138 CO 0.03 0.84 -0.73 0.66 -2.27 0.00 0.00 179.45 177.98 1lce n TYR 139 N -3.27 0.00 1.09 1.91 4.02 -0.87 -4.77 117.16 115.27 1lce n TYR 139 Ca -0.16 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1lce n TYR 139 Cb 1.03 0.00 0.55 0.00 -0.02 0.00 0.00 39.34 40.90 1lce n TYR 139 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lce n GLY 140 N 2.56 -0.87 3.29 2.72 0.00 -0.80 -4.61 105.19 107.48 1lce n GLY 140 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1lce n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lce s ASP 141 N -2.39 4.40 0.00 1.61 -1.08 -1.11 -2.50 116.67 115.60 1lce s ASP 141 Ca 0.23 -0.56 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 1lce s ASP 141 Cb 0.14 -1.74 0.84 0.00 -1.46 0.00 0.00 42.92 40.70 1lce s ASP 141 CO 0.29 -0.07 1.64 0.18 0.52 0.00 0.00 175.17 177.73 1lce n LEU 142 N 4.77 0.32 0.00 -1.34 7.99 -0.58 -4.93 117.00 123.24 1lce n LEU 142 Ca -0.17 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1lce n LEU 142 Cb 0.49 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1lce n LEU 142 CO 0.29 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1lce n GLY 143 N 1.48 1.42 3.19 -0.72 0.00 -1.26 -4.65 105.19 104.65 1lce n GLY 143 Ca 0.07 0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1lce n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lce s LEU 144 N 0.00 5.52 0.31 0.99 1.43 -1.26 -4.61 118.68 121.06 1lce s LEU 144 Ca 0.00 -1.92 0.05 0.00 -1.03 0.00 0.00 54.13 51.24 1lce s LEU 144 Cb 0.00 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1lce s LEU 144 CO 0.00 -0.64 0.24 -0.69 0.23 0.00 0.00 176.35 175.49 1lce s VAL 145 N 1.30 0.07 0.26 -1.59 1.01 -1.26 -5.03 120.40 115.15 1lce s VAL 145 Ca 0.06 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.99 1lce s VAL 145 Cb -0.25 -2.49 0.22 0.00 0.00 0.00 0.00 36.38 33.86 1lce s VAL 145 CO -0.02 0.00 1.88 1.88 0.00 0.00 0.00 175.10 178.85 1lce h TYR 146 N 2.19 1.14 -0.73 5.22 0.05 -1.93 -1.38 116.97 121.52 1lce h TYR 146 Ca -0.28 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 58.62 1lce h TYR 146 Cb 1.24 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 38.57 1lce h TYR 146 CO 1.44 0.78 0.49 0.78 -1.05 0.00 0.00 178.16 180.61 1lce h GLY 147 N 1.19 0.65 1.23 3.88 0.00 -1.77 0.18 103.07 108.43 1lce h GLY 147 Ca 0.30 -0.17 -0.28 0.00 0.00 0.00 0.00 47.33 47.18 1lce h GLY 147 CO -0.05 0.06 -1.54 1.48 0.00 0.00 0.00 176.54 176.49 1lce h SER 148 N 0.39 0.05 -0.35 0.19 4.64 -1.60 -1.10 113.55 115.77 1lce h SER 148 Ca 0.36 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 1lce h SER 148 Cb 0.85 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1lce h SER 148 CO -0.11 1.07 0.07 1.56 -0.87 0.00 0.00 176.83 178.55 1lce h GLN 149 N 0.01 0.57 0.29 4.77 4.20 -0.99 -0.59 115.11 123.37 1lce h GLN 149 Ca -0.22 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 1lce h GLN 149 Cb 1.96 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.67 1lce h GLN 149 CO 0.10 0.63 -0.14 -1.49 -0.67 0.00 0.00 178.83 177.26 1lce h TRP 150 N 0.41 -0.37 -0.08 2.96 4.06 -0.74 -3.38 115.95 118.81 1lce h TRP 150 Ca 0.11 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 1lce h TRP 150 Cb 0.33 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 1lce h TRP 150 CO 0.02 -0.02 -0.06 0.54 -3.56 0.00 0.00 178.44 175.37 1lce n ARG 151 N -5.09 1.74 -2.67 0.49 1.74 -0.41 -1.56 116.66 110.89 1lce n ARG 151 Ca -0.09 -2.76 -0.04 0.00 -0.77 0.00 0.00 57.85 54.19 1lce n ARG 151 Cb 0.27 -1.62 0.11 0.00 -1.02 0.00 0.00 32.46 30.20 1lce n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lce n ALA 152 N -1.16 -2.83 -2.14 7.54 0.00 -0.31 -4.02 120.51 117.59 1lce n ALA 152 Ca 0.19 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1lce n ALA 152 Cb 0.73 -2.84 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 1lce n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1lce s TRP 153 N 0.08 3.41 -0.20 0.00 -0.11 -0.64 -4.54 118.94 116.95 1lce s TRP 153 Ca 0.21 1.36 -0.28 0.00 1.22 0.00 0.00 56.10 58.61 1lce s TRP 153 Cb 0.29 -3.45 -0.00 0.00 -1.50 0.00 0.00 33.47 28.81 1lce s TRP 153 CO -0.17 -1.32 0.96 -1.01 -4.62 0.00 0.00 176.95 170.79 1lce s HIS 154 N 0.27 3.38 0.67 5.86 3.76 -1.26 -1.78 115.29 126.19 1lce s HIS 154 Ca 0.55 1.40 -0.10 0.00 -0.15 0.00 0.00 55.06 56.76 1lce s HIS 154 Cb -0.32 -3.17 0.01 0.00 1.11 0.00 0.00 32.58 30.20 1lce s HIS 154 CO 0.35 -0.38 1.04 0.95 -0.85 0.00 0.00 174.74 175.85 1lce s THR 155 N 2.74 3.66 0.60 1.30 -4.23 0.03 -4.93 115.64 114.82 1lce s THR 155 Ca 0.42 0.40 0.43 0.00 -1.18 0.00 0.00 61.69 61.77 1lce s THR 155 Cb -0.16 -3.51 0.43 0.00 1.34 0.00 0.00 72.50 70.60 1lce s THR 155 CO 0.09 -0.64 2.32 0.77 -0.54 0.00 0.00 174.62 176.62 1lce h SER 156 N -0.50 0.00 -1.73 3.99 4.64 -1.96 -2.99 113.55 115.00 1lce h SER 156 Ca -0.45 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 1lce h SER 156 Cb 1.25 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.92 1lce h SER 156 CO 0.63 0.00 -0.84 0.29 -0.87 0.00 0.00 176.83 176.04 1lce n LYS 157 N -3.01 2.68 -0.58 4.77 5.02 -1.26 -5.02 118.16 120.75 1lce n LYS 157 Ca -0.03 -4.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.00 1lce n LYS 157 Cb 0.07 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1lce n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lce n GLY 158 N -0.24 0.71 3.70 0.72 0.00 -1.13 -5.09 105.19 103.87 1lce n GLY 158 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 1lce n GLY 158 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1lce s ASP 159 N -2.02 -0.12 -0.60 1.61 -4.77 -1.26 -4.94 116.67 104.58 1lce s ASP 159 Ca 0.00 -0.30 -0.35 0.00 -3.30 0.00 0.00 52.55 48.60 1lce s ASP 159 Cb 0.00 0.34 -0.16 0.00 -1.09 0.00 0.00 42.92 42.01 1lce s ASP 159 CO 0.00 -0.64 2.36 0.41 0.70 0.00 0.00 175.17 178.00 1lce n THR 160 N -0.49 0.05 -4.65 2.11 -1.04 -1.26 -0.79 114.28 108.21 1lce n THR 160 Ca -0.07 -0.18 -0.33 0.00 -2.04 0.00 0.00 64.05 61.43 1lce n THR 160 Cb 0.62 -1.14 -0.15 0.00 -1.82 0.00 0.00 70.33 67.84 1lce n THR 160 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1lce s ILE 161 N 8.08 2.99 -0.68 12.58 1.10 -0.73 -4.88 121.20 139.65 1lce s ILE 161 Ca 1.19 -0.67 -0.24 0.00 -0.51 0.00 0.00 60.65 60.41 1lce s ILE 161 Cb -1.06 -2.27 0.05 0.00 0.15 0.00 0.00 42.46 39.33 1lce s ILE 161 CO 0.51 0.51 1.09 -0.62 -2.11 0.00 0.00 174.94 174.32 1lce s ASP 162 N 0.55 6.18 0.01 4.50 2.15 -1.26 -1.62 116.67 127.19 1lce s ASP 162 Ca -0.08 -0.75 -0.21 0.00 0.43 0.00 0.00 52.55 51.94 1lce s ASP 162 Cb -0.16 -2.47 -0.12 0.00 -0.30 0.00 0.00 42.92 39.87 1lce s ASP 162 CO 0.04 -1.58 1.05 1.56 -0.17 0.00 0.00 175.17 176.06 1lce h GLN 163 N 9.73 -0.73 -0.61 4.34 4.20 -1.55 -3.09 115.11 127.39 1lce h GLN 163 Ca -0.28 0.05 0.18 0.00 0.06 0.00 0.00 58.65 58.65 1lce h GLN 163 Cb 1.06 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1lce h GLN 163 CO 1.22 -0.49 0.53 1.25 -0.67 0.00 0.00 178.83 180.66 1lce h LEU 164 N -0.95 0.00 0.29 1.46 7.12 -1.90 0.27 115.31 121.59 1lce h LEU 164 Ca -0.08 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 1lce h LEU 164 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1lce h LEU 164 CO 0.13 0.00 -0.14 1.23 -0.13 0.00 0.00 178.44 179.53 1lce h GLY 165 N 0.00 -0.41 0.79 3.75 0.00 -1.86 -1.57 103.07 103.77 1lce h GLY 165 Ca 0.29 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 1lce h GLY 165 CO -0.00 -0.15 -0.02 -0.55 0.00 0.00 0.00 176.54 175.82 1lce h ASP 166 N -0.65 -0.05 -0.93 0.19 3.32 -1.08 -2.00 116.42 115.22 1lce h ASP 166 Ca -0.04 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 56.93 1lce h ASP 166 Cb 0.46 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 1lce h ASP 166 CO 0.07 0.17 0.60 0.58 -1.72 0.00 0.00 179.24 178.93 1lce h VAL 167 N -0.28 0.92 0.00 -1.35 2.07 -1.01 0.76 116.25 117.35 1lce h VAL 167 Ca -0.01 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1lce h VAL 167 Cb 0.25 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1lce h VAL 167 CO 0.01 0.16 -0.24 0.40 0.02 0.00 0.00 177.57 177.92 1lce h ILE 168 N 0.88 0.87 0.15 4.57 1.08 -1.02 -1.10 117.51 122.93 1lce h ILE 168 Ca 0.45 -0.93 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1lce h ILE 168 Cb 0.51 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 1lce h ILE 168 CO -0.21 0.24 -0.07 -0.08 -0.69 0.00 0.00 178.15 177.33 1lce h GLU 169 N 0.00 -0.20 0.00 2.37 4.57 0.12 -2.56 114.58 118.88 1lce h GLU 169 Ca -0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1lce h GLU 169 Cb 0.53 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1lce h GLU 169 CO 0.03 0.16 -0.00 1.96 -1.18 0.00 0.00 179.01 179.98 1lce h GLN 170 N -0.60 0.00 0.14 1.92 1.08 -0.51 0.34 115.11 117.48 1lce h GLN 170 Ca -0.02 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.91 1lce h GLN 170 Cb 0.46 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1lce h GLN 170 CO 0.03 0.00 -1.35 0.82 -0.95 0.00 0.00 178.83 177.39 1lce h ILE 171 N 0.00 1.13 -0.14 2.54 2.04 -1.27 -0.59 117.51 121.22 1lce h ILE 171 Ca -0.00 -2.46 0.04 0.00 1.00 0.00 0.00 64.86 63.44 1lce h ILE 171 Cb 0.02 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1lce h ILE 171 CO 0.00 0.73 0.14 0.11 0.00 0.00 0.00 178.15 179.14 1lce h LYS 172 N -0.23 0.00 0.00 2.37 1.57 -0.42 -3.25 116.57 116.60 1lce h LYS 172 Ca -0.28 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1lce h LYS 172 Cb 1.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 1lce h LYS 172 CO 0.11 0.00 -1.41 0.25 -0.57 0.00 0.00 179.45 177.82 1lce n THR 173 N -3.97 0.41 -3.33 -0.16 -2.24 0.96 -4.87 114.28 101.08 1lce n THR 173 Ca 0.01 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 1lce n THR 173 Cb 0.26 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.06 1lce n THR 173 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1lce n HIS 174 N -3.17 3.28 -0.29 4.78 8.25 -0.23 -4.96 115.22 122.89 1lce n HIS 174 Ca -0.14 -3.72 0.08 0.00 -0.26 0.00 0.00 57.72 53.68 1lce n HIS 174 Cb 0.61 -0.78 0.23 0.00 1.12 0.00 0.00 29.99 31.17 1lce n HIS 174 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1lce h PRO 175 N 4.64 0.53 -2.24 -0.41 0.11 -1.63 -3.20 132.00 129.80 1lce h PRO 175 Ca 0.20 -0.03 -0.76 0.00 0.11 0.00 0.00 66.00 65.51 1lce h PRO 175 Cb 0.66 -0.12 -0.24 0.00 0.11 0.00 0.00 31.00 31.41 1lce h PRO 175 CO 0.98 0.35 1.23 0.66 -0.21 0.00 0.00 178.00 181.01 1lce n TYR 176 N -4.93 2.69 -4.94 0.65 4.02 -1.26 -4.01 117.16 109.37 1lce n TYR 176 Ca 0.18 -2.50 -0.30 0.00 -0.01 0.00 0.00 57.90 55.26 1lce n TYR 176 Cb 0.48 -1.32 -0.15 0.00 -0.02 0.00 0.00 39.34 38.33 1lce n TYR 176 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1lce s SER 177 N -0.84 3.20 -0.31 7.72 1.04 -1.21 -5.00 113.70 118.29 1lce s SER 177 Ca 0.46 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1lce s SER 177 Cb 0.26 -0.32 0.25 0.00 0.10 0.00 0.00 66.02 66.32 1lce s SER 177 CO -0.20 0.27 1.90 0.54 0.98 0.00 0.00 173.24 176.73 1lce n ARG 178 N 1.84 1.79 0.00 4.02 1.74 -1.26 -3.00 116.66 121.80 1lce n ARG 178 Ca -0.17 -1.61 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 1lce n ARG 178 Cb 0.52 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1lce n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1lce n ARG 179 N 0.16 0.63 -0.30 5.56 1.74 -1.26 -5.00 116.66 118.19 1lce n ARG 179 Ca 0.31 -0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 57.19 1lce n ARG 179 Cb 0.69 -0.53 -0.03 0.00 -1.02 0.00 0.00 32.46 31.58 1lce n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1lce n LEU 180 N -0.13 1.85 -4.82 0.55 4.32 -1.16 -4.89 117.00 112.73 1lce n LEU 180 Ca 0.00 -1.55 -0.33 0.00 -0.02 0.00 0.00 56.01 54.11 1lce n LEU 180 Cb 0.10 -0.58 -0.06 0.00 -1.62 0.00 0.00 43.42 41.26 1lce n LEU 180 CO 0.00 -0.15 -0.22 -0.63 -1.22 0.00 0.00 177.39 175.16 1lce s ILE 181 N 3.38 4.91 -0.03 -0.08 1.01 -1.26 -1.33 121.20 127.81 1lce s ILE 181 Ca 0.18 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1lce s ILE 181 Cb 0.07 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1lce s ILE 181 CO -0.01 0.32 -0.21 -0.69 0.00 0.00 0.00 174.94 174.35 1lce s VAL 182 N -1.25 2.47 -0.02 2.92 1.01 -0.81 -4.91 120.40 119.82 1lce s VAL 182 Ca 0.25 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1lce s VAL 182 Cb -0.12 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1lce s VAL 182 CO 0.16 0.57 -0.19 -0.55 0.00 0.00 0.00 175.10 175.09 1lce s SER 183 N -0.71 2.26 -0.04 3.32 0.15 -1.26 -2.39 113.70 115.03 1lce s SER 183 Ca 0.11 -0.35 0.09 0.00 0.70 0.00 0.00 55.95 56.50 1lce s SER 183 Cb -0.10 -0.26 -0.14 0.00 -1.71 0.00 0.00 66.02 63.80 1lce s SER 183 CO -0.00 0.23 0.15 0.00 1.20 0.00 0.00 173.24 174.83 1lce n ALA 184 N 2.62 2.16 -2.00 5.45 0.00 -0.00 -4.71 120.51 124.04 1lce n ALA 184 Ca -0.15 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1lce n ALA 184 Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 1lce n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1lce s TRP 185 N -2.52 1.79 -0.21 0.00 -0.11 -1.20 -4.76 118.94 111.91 1lce s TRP 185 Ca -0.04 0.65 -0.03 0.00 1.22 0.00 0.00 56.10 57.90 1lce s TRP 185 Cb 0.05 -4.12 -0.00 0.00 -1.50 0.00 0.00 33.47 27.90 1lce s TRP 185 CO 0.40 -2.88 -0.07 1.21 -4.62 0.00 0.00 176.95 170.99 1lce s ASN 186 N 6.36 4.10 0.00 5.86 3.84 -1.26 -5.05 114.94 128.79 1lce s ASN 186 Ca 0.79 -0.45 0.29 0.00 0.21 0.00 0.00 52.86 53.70 1lce s ASN 186 Cb -0.21 -1.69 1.26 0.00 -0.55 0.00 0.00 41.25 40.06 1lce s ASN 186 CO 0.32 -0.02 1.94 -0.81 -2.79 0.00 0.00 177.10 175.74 1lce n PRO 187 N 4.77 0.06 -0.02 0.43 -0.04 -1.26 -2.72 135.00 136.21 1lce n PRO 187 Ca -0.19 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1lce n PRO 187 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1lce n PRO 187 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lce h GLU 188 N 0.00 -0.18 0.00 0.54 5.08 -2.02 -2.63 114.58 115.37 1lce h GLU 188 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1lce h GLU 188 Cb 0.47 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1lce h GLU 188 CO 0.00 -0.12 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.29 1lce h ASP 189 N -0.19 0.00 -0.42 1.42 3.32 -1.97 -3.39 116.42 115.20 1lce h ASP 189 Ca 0.11 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1lce h ASP 189 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1lce h ASP 189 CO -0.28 0.00 0.11 0.58 -1.72 0.00 0.00 179.24 177.93 1lce h VAL 190 N 0.00 1.23 0.00 -1.35 2.07 -1.26 -3.16 116.25 113.77 1lce h VAL 190 Ca 0.00 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1lce h VAL 190 Cb 0.99 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1lce h VAL 190 CO 0.00 0.27 -0.09 1.55 0.02 0.00 0.00 177.57 179.32 1lce h PRO 191 N 0.54 0.00 -1.74 1.57 0.13 -1.75 -3.23 132.00 127.51 1lce h PRO 191 Ca 0.13 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.61 1lce h PRO 191 Cb 0.30 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.06 1lce h PRO 191 CO -0.00 0.09 -0.08 0.25 -0.23 0.00 0.00 178.00 178.03 1lce n THR 192 N -3.67 2.93 -4.14 1.56 -2.24 -1.19 -5.03 114.28 102.49 1lce n THR 192 Ca -0.02 -4.80 -0.15 0.00 -2.27 0.00 0.00 64.05 56.81 1lce n THR 192 Cb 0.20 -1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 67.04 1lce n THR 192 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1lce s MET 193 N -3.74 0.74 0.00 -0.78 -1.94 -1.22 -5.05 119.30 107.31 1lce s MET 193 Ca 0.49 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1lce s MET 193 Cb 0.40 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.73 1lce s MET 193 CO -0.26 0.09 0.55 0.00 -0.01 0.00 0.00 175.02 175.39 1lce n ALA 194 N 0.96 -0.16 -3.63 3.03 0.00 -1.26 -4.64 120.51 114.82 1lce n ALA 194 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 1lce n ALA 194 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.84 1lce n ALA 194 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lce s LEU 195 N -2.22 1.68 1.08 0.00 2.96 -1.26 -5.14 118.68 115.78 1lce s LEU 195 Ca 0.00 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 1lce s LEU 195 Cb 0.00 -1.03 0.24 0.00 0.50 0.00 0.00 46.19 45.90 1lce s LEU 195 CO 0.00 0.01 1.06 -2.84 -1.32 0.00 0.00 176.35 173.27 1lce s PRO 196 N 0.97 -0.31 0.46 0.98 0.02 -1.26 -4.93 135.00 130.93 1lce s PRO 196 Ca -0.07 1.06 -0.25 0.00 0.02 0.00 0.00 61.00 61.76 1lce s PRO 196 Cb -0.15 -1.61 -0.08 0.00 0.02 0.00 0.00 34.50 32.68 1lce s PRO 196 CO -0.01 -3.38 1.41 -1.25 -0.33 0.00 0.00 177.00 173.44 1lce s PRO 197 N -4.53 3.63 0.01 5.54 0.04 -1.26 -4.91 135.00 133.53 1lce s PRO 197 Ca 0.68 2.37 0.22 0.00 0.04 0.00 0.00 61.00 64.31 1lce s PRO 197 Cb -0.24 -2.61 -0.12 0.00 0.04 0.00 0.00 34.50 31.58 1lce s PRO 197 CO 0.62 -0.84 0.89 0.00 0.04 0.00 0.00 177.00 177.71 1lce s HIS 199 N -3.16 3.45 0.15 0.00 3.76 -1.26 -1.47 115.29 116.76 1lce s HIS 199 Ca 0.04 -3.08 -0.12 0.00 -0.15 0.00 0.00 55.06 51.74 1lce s HIS 199 Cb 0.15 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 30.90 1lce s HIS 199 CO 0.84 -0.71 1.59 1.15 -0.85 0.00 0.00 174.74 176.76 1lce h THR 200 N 4.92 1.27 -3.98 1.30 2.02 -0.25 -3.43 112.91 114.75 1lce h THR 200 Ca 0.03 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 65.97 1lce h THR 200 Cb 0.86 1.01 -0.13 0.00 -1.74 0.00 0.00 68.15 68.14 1lce h THR 200 CO 0.73 0.40 -0.40 -0.22 0.37 0.00 0.00 175.52 176.39 1lce s LEU 201 N -9.33 1.24 -0.16 2.58 2.96 -1.22 -0.82 118.68 113.92 1lce s LEU 201 Ca -0.12 -0.90 -0.28 0.00 -0.22 0.00 0.00 54.13 52.61 1lce s LEU 201 Cb 0.12 0.97 0.07 0.00 0.50 0.00 0.00 46.19 47.85 1lce s LEU 201 CO 0.83 -0.83 0.70 -0.72 -1.32 0.00 0.00 176.35 175.01 1lce s TYR 202 N -3.96 -0.72 -0.05 5.38 1.13 -1.01 -2.26 117.35 115.87 1lce s TYR 202 Ca 0.16 1.52 0.03 0.00 -1.41 0.00 0.00 57.07 57.37 1lce s TYR 202 Cb 0.04 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1lce s TYR 202 CO -0.02 -0.49 -0.13 -1.14 -2.51 0.00 0.00 175.55 171.26 1lce s GLN 203 N -0.40 1.50 0.82 -3.49 0.74 -0.31 -1.92 119.66 116.60 1lce s GLN 203 Ca -0.05 -0.45 -0.08 0.00 0.05 0.00 0.00 55.36 54.83 1lce s GLN 203 Cb -0.03 -1.30 0.15 0.00 1.10 0.00 0.00 33.01 32.93 1lce s GLN 203 CO 0.05 0.13 1.14 -0.06 -0.55 0.00 0.00 175.29 176.00 1lce s PHE 204 N 0.30 1.82 -0.05 1.67 0.40 -0.44 -1.32 117.98 120.37 1lce s PHE 204 Ca -0.07 0.10 -0.22 0.00 -0.60 0.00 0.00 56.93 56.13 1lce s PHE 204 Cb -0.12 -3.50 0.05 0.00 0.51 0.00 0.00 43.02 39.95 1lce s PHE 204 CO 0.02 -2.05 0.49 -0.47 0.70 0.00 0.00 175.22 173.91 1lce s TYR 205 N -3.48 -0.43 -0.36 0.36 5.04 -0.98 -4.66 117.35 112.85 1lce s TYR 205 Ca 0.68 0.75 0.03 0.00 -2.44 0.00 0.00 57.07 56.10 1lce s TYR 205 Cb -0.06 0.25 0.10 0.00 0.35 0.00 0.00 41.96 42.60 1lce s TYR 205 CO 0.48 -0.48 0.08 0.08 -1.34 0.00 0.00 175.55 174.37 1lce s VAL 206 N -1.13 2.09 0.02 3.14 1.01 -1.26 -1.43 120.40 122.85 1lce s VAL 206 Ca -0.11 -2.32 -0.29 0.00 0.00 0.00 0.00 61.98 59.26 1lce s VAL 206 Cb -0.03 -2.54 -0.16 0.00 0.00 0.00 0.00 36.38 33.65 1lce s VAL 206 CO 0.07 -0.64 1.24 -1.13 0.00 0.00 0.00 175.10 174.64 1lce h ASN 207 N 7.55 -0.78 0.00 3.32 -1.24 -1.53 -3.45 115.58 119.45 1lce h ASN 207 Ca -0.06 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1lce h ASN 207 Cb 1.00 0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1lce h ASN 207 CO 0.53 -0.43 0.00 -0.90 -1.29 0.00 0.00 177.43 175.34 1lce n ASP 208 N -5.41 0.00 -0.04 1.15 5.75 -1.26 -5.03 116.55 111.71 1lce n ASP 208 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 1lce n ASP 208 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1lce n ASP 208 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lce n GLY 209 N 0.00 -1.78 2.74 6.12 0.00 -1.26 -5.04 105.19 105.96 1lce n GLY 209 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 1lce n GLY 209 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lce n LYS 210 N -0.08 -3.62 -2.81 1.61 5.02 -1.15 -4.79 118.16 112.34 1lce n LYS 210 Ca 0.00 2.84 -0.40 0.00 -2.02 0.00 0.00 58.31 58.73 1lce n LYS 210 Cb 0.00 -4.41 -0.05 0.00 -0.02 0.00 0.00 35.03 30.55 1lce n LYS 210 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1lce s LEU 211 N -0.91 4.56 0.00 -0.35 2.96 -0.85 -1.19 118.68 122.90 1lce s LEU 211 Ca -0.15 1.78 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 1lce s LEU 211 Cb 0.01 -3.51 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1lce s LEU 211 CO 0.65 0.06 0.08 -1.20 -1.32 0.00 0.00 176.35 174.62 1lce n SER 212 N 2.16 2.38 -3.61 3.68 7.64 -0.51 -2.33 113.62 123.04 1lce n SER 212 Ca -0.01 -2.06 -0.12 0.00 1.01 0.00 0.00 58.87 57.69 1lce n SER 212 Cb 0.48 0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 1lce n SER 212 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1lce s LEU 213 N 0.00 -0.56 -0.09 -3.43 0.20 -0.92 -2.33 118.68 111.56 1lce s LEU 213 Ca 0.06 0.94 0.04 0.00 0.69 0.00 0.00 54.13 55.86 1lce s LEU 213 Cb -0.00 2.15 0.00 0.00 -0.43 0.00 0.00 46.19 47.91 1lce s LEU 213 CO 0.04 -0.28 -0.22 -1.58 -0.29 0.00 0.00 176.35 174.02 1lce s GLN 214 N -0.17 2.74 0.33 1.98 0.74 -0.44 -0.71 119.66 124.14 1lce s GLN 214 Ca -0.01 -0.80 0.04 0.00 0.05 0.00 0.00 55.36 54.64 1lce s GLN 214 Cb -0.03 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.94 1lce s GLN 214 CO -0.00 0.18 0.48 -1.17 -0.55 0.00 0.00 175.29 174.23 1lce s LEU 215 N 0.32 4.02 -0.31 3.68 0.20 -0.97 -1.16 118.68 124.47 1lce s LEU 215 Ca -0.16 0.05 -0.02 0.00 0.69 0.00 0.00 54.13 54.69 1lce s LEU 215 Cb -0.17 -2.93 0.10 0.00 -0.43 0.00 0.00 46.19 42.77 1lce s LEU 215 CO 0.07 -0.36 0.11 -0.47 -0.29 0.00 0.00 176.35 175.42 1lce s TYR 216 N -2.20 1.18 0.22 5.38 6.14 -0.96 -3.05 117.35 124.06 1lce s TYR 216 Ca 0.42 -1.43 -0.12 0.00 0.64 0.00 0.00 57.07 56.58 1lce s TYR 216 Cb -0.09 -1.40 -0.07 0.00 0.42 0.00 0.00 41.96 40.81 1lce s TYR 216 CO 0.32 -0.86 0.59 -1.14 0.64 0.00 0.00 175.55 175.10 1lce s GLN 217 N 1.77 3.91 -0.19 4.97 0.74 -0.33 0.44 119.66 130.96 1lce s GLN 217 Ca 0.10 0.43 -0.02 0.00 0.05 0.00 0.00 55.36 55.92 1lce s GLN 217 Cb -0.17 -2.71 -0.11 0.00 1.10 0.00 0.00 33.01 31.12 1lce s GLN 217 CO -0.29 0.34 -0.19 -2.13 -0.55 0.00 0.00 175.29 172.48 1lce n ARG 218 N 0.14 0.45 -4.85 1.67 0.63 -0.54 -1.94 116.66 112.22 1lce n ARG 218 Ca -0.01 0.13 -0.30 0.00 -0.92 0.00 0.00 57.85 56.74 1lce n ARG 218 Cb 0.52 -1.32 -0.17 0.00 0.45 0.00 0.00 32.46 31.94 1lce n ARG 218 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1lce s SER 219 N -6.03 2.77 -0.06 6.15 0.15 -1.26 -0.67 113.70 114.75 1lce s SER 219 Ca -0.25 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 55.90 1lce s SER 219 Cb 0.07 -1.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.13 1lce s SER 219 CO 0.40 0.09 -0.07 0.00 1.20 0.00 0.00 173.24 174.86 1lce s ALA 220 N 0.63 0.93 -0.20 5.45 0.00 0.00 -4.88 121.76 123.68 1lce s ALA 220 Ca -0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1lce s ALA 220 Cb -0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1lce s ALA 220 CO 0.04 -0.02 0.45 0.34 0.00 0.00 0.00 175.76 176.57 1lce s ASP 221 N 0.92 6.49 -0.07 0.00 -1.08 -1.26 -1.64 116.67 120.03 1lce s ASP 221 Ca -0.11 0.58 -0.09 0.00 -0.52 0.00 0.00 52.55 52.42 1lce s ASP 221 Cb -0.15 -2.26 -0.05 0.00 -1.46 0.00 0.00 42.92 39.01 1lce s ASP 221 CO 0.01 -0.13 0.22 -0.63 0.52 0.00 0.00 175.17 175.16 1lce s ILE 222 N 1.49 5.36 0.00 4.11 1.01 0.72 -0.93 121.20 132.96 1lce s ILE 222 Ca 0.21 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1lce s ILE 222 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1lce s ILE 222 CO 0.09 0.58 0.00 0.33 0.00 0.00 0.00 174.94 175.94 1lce n PHE 223 N 1.84 0.00 -3.32 3.97 7.35 -1.26 -3.86 117.46 122.18 1lce n PHE 223 Ca -0.17 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.22 1lce n PHE 223 Cb 0.54 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.33 1lce n PHE 223 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1lce s LEU 224 N 0.00 4.07 0.00 -2.13 1.43 -1.26 -4.42 118.68 116.37 1lce s LEU 224 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1lce s LEU 224 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1lce s LEU 224 CO 0.00 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1lce n GLY 225 N -0.76 2.20 0.25 -3.19 0.00 -1.26 -4.32 105.19 98.11 1lce n GLY 225 Ca -0.01 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1lce n GLY 225 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lce h VAL 226 N 0.00 0.34 -0.63 1.61 2.07 -1.28 -0.87 116.25 117.49 1lce h VAL 226 Ca 0.00 -0.81 0.12 0.00 0.82 0.00 0.00 66.70 66.83 1lce h VAL 226 Cb 0.00 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1lce h VAL 226 CO 0.00 0.12 0.42 -0.65 0.02 0.00 0.00 177.57 177.49 1lce h PRO 227 N 0.00 0.33 0.10 1.57 0.11 -1.87 -3.05 132.00 129.19 1lce h PRO 227 Ca -0.00 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 1lce h PRO 227 Cb 0.60 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.64 1lce h PRO 227 CO 0.02 0.22 -0.87 0.74 -0.21 0.00 0.00 178.00 177.90 1lce h PHE 228 N 0.34 0.39 -0.52 0.65 -1.00 -1.54 -3.34 116.94 111.92 1lce h PHE 228 Ca 0.30 -0.28 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 1lce h PHE 228 Cb 0.70 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1lce h PHE 228 CO -0.00 1.34 0.08 -0.91 -1.61 0.00 0.00 178.31 177.20 1lce h ASN 229 N -0.51 0.83 -0.80 2.17 -0.26 -1.50 -2.63 115.58 112.89 1lce h ASN 229 Ca -0.18 -0.26 0.17 0.00 -0.56 0.00 0.00 56.30 55.47 1lce h ASN 229 Cb 1.54 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 38.53 1lce h ASN 229 CO 0.07 0.89 0.53 0.40 -1.06 0.00 0.00 177.43 178.27 1lce h ILE 230 N 0.75 0.74 0.07 2.81 2.04 -1.68 -2.71 117.51 119.53 1lce h ILE 230 Ca 0.16 -0.13 -0.28 0.00 1.00 0.00 0.00 64.86 65.61 1lce h ILE 230 Cb 0.41 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1lce h ILE 230 CO 0.01 0.07 -1.46 0.00 0.00 0.00 0.00 178.15 176.77 1lce h ALA 231 N 1.63 0.41 0.33 1.87 0.00 -1.61 -3.00 119.26 118.89 1lce h ALA 231 Ca 0.40 -1.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1lce h ALA 231 Cb 1.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1lce h ALA 231 CO -0.12 1.27 -0.16 0.77 0.00 0.00 0.00 179.25 181.01 1lce h SER 232 N 0.04 -0.37 1.55 0.00 0.02 -1.14 0.54 113.55 114.18 1lce h SER 232 Ca -0.20 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1lce h SER 232 Cb 1.96 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1lce h SER 232 CO 0.13 -0.21 0.00 1.88 -1.14 0.00 0.00 176.83 177.49 1lce h TYR 233 N -0.50 0.00 0.00 3.45 0.05 -1.70 0.04 116.97 118.30 1lce h TYR 233 Ca -0.05 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1lce h TYR 233 Cb 0.38 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1lce h TYR 233 CO -0.04 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 176.97 1lce h ALA 234 N 2.20 1.06 0.11 3.88 0.00 -1.28 0.17 119.26 125.40 1lce h ALA 234 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 1lce h ALA 234 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1lce h ALA 234 CO 0.00 0.13 -1.48 1.25 0.00 0.00 0.00 179.25 179.15 1lce h LEU 235 N 0.00 0.35 -0.15 0.00 5.85 0.97 -0.76 115.31 121.58 1lce h LEU 235 Ca -0.00 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1lce h LEU 235 Cb 0.53 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1lce h LEU 235 CO 0.01 1.40 -0.09 0.25 -0.34 0.00 0.00 178.44 179.67 1lce h LEU 236 N 0.06 0.34 0.67 2.25 6.46 -1.07 0.81 115.31 124.82 1lce h LEU 236 Ca -0.22 -0.43 -0.03 0.00 -0.12 0.00 0.00 57.88 57.08 1lce h LEU 236 Cb 2.00 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 41.84 1lce h LEU 236 CO 0.16 0.70 -0.32 0.74 -0.62 0.00 0.00 178.44 179.10 1lce h THR 237 N -0.01 0.28 -0.03 1.05 2.02 -0.79 0.79 112.91 116.21 1lce h THR 237 Ca 0.03 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1lce h THR 237 Cb 0.58 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1lce h THR 237 CO 0.03 0.02 0.09 0.45 0.37 0.00 0.00 175.52 176.47 1lce h HIS 238 N -1.01 0.00 0.02 3.16 3.86 -0.34 -1.52 115.15 119.32 1lce h HIS 238 Ca -0.09 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.79 1lce h HIS 238 Cb 0.72 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.14 1lce h HIS 238 CO -0.01 0.00 -1.84 1.28 0.86 0.00 0.00 177.93 178.22 1lce n LEU 239 N -3.33 2.12 -0.24 2.43 4.32 0.27 -3.64 117.00 118.93 1lce n LEU 239 Ca -0.02 0.31 0.03 0.00 -0.02 0.00 0.00 56.01 56.32 1lce n LEU 239 Cb 0.16 -0.95 0.16 0.00 -1.62 0.00 0.00 43.42 41.18 1lce n LEU 239 CO 0.22 0.52 1.01 0.58 -1.22 0.00 0.00 177.39 178.50 1lce h VAL 240 N -0.73 0.71 -0.48 4.08 2.07 -0.66 -3.05 116.25 118.18 1lce h VAL 240 Ca -0.48 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 66.98 1lce h VAL 240 Cb 1.57 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 1lce h VAL 240 CO -0.21 0.08 -0.11 0.00 0.02 0.00 0.00 177.57 177.36 1lce h ALA 241 N 1.50 0.33 0.00 1.67 0.00 -1.41 -1.03 119.26 120.32 1lce h ALA 241 Ca 0.38 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1lce h ALA 241 Cb 0.54 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1lce h ALA 241 CO -0.37 -0.44 0.00 1.25 0.00 0.00 0.00 179.25 179.70 1lce h HIS 242 N 0.01 0.00 0.01 0.00 6.17 -1.60 -2.82 115.15 116.91 1lce h HIS 242 Ca 0.23 0.00 -0.34 0.00 0.71 0.00 0.00 60.37 60.98 1lce h HIS 242 Cb 0.36 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.23 1lce h HIS 242 CO -0.40 0.00 -2.07 -1.91 0.71 0.00 0.00 177.93 174.25 1lce n GLU 243 N -2.60 0.67 0.11 5.26 2.13 -0.47 -4.17 120.64 121.57 1lce n GLU 243 Ca 0.00 0.15 -0.04 0.00 0.66 0.00 0.00 57.16 57.94 1lce n GLU 243 Cb 0.20 -1.65 0.11 0.00 0.27 0.00 0.00 31.44 30.37 1lce n GLU 243 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lce n GLY 245 N 0.44 2.31 3.78 0.00 0.00 -1.07 -4.97 105.19 105.67 1lce n GLY 245 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1lce n GLY 245 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1lce s LEU 246 N 0.00 3.82 1.20 0.99 0.05 -1.17 -4.99 118.68 118.59 1lce s LEU 246 Ca 0.00 2.09 -0.18 0.00 0.05 0.00 0.00 54.13 56.09 1lce s LEU 246 Cb 0.00 -4.53 0.28 0.00 -2.05 0.00 0.00 46.19 39.89 1lce s LEU 246 CO 0.00 -1.00 1.05 -1.61 -0.55 0.00 0.00 176.35 174.25 1lce s GLU 247 N -3.19 -1.23 -0.09 1.48 0.41 -1.26 -4.31 118.70 110.52 1lce s GLU 247 Ca 0.69 0.23 -0.02 0.00 -0.41 0.00 0.00 54.97 55.46 1lce s GLU 247 Cb -0.21 -1.57 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 1lce s GLU 247 CO 0.25 -3.78 0.00 0.08 -0.49 0.00 0.00 175.26 171.32 1lce s VAL 248 N -2.76 4.32 0.00 2.63 1.01 -1.26 -2.00 120.40 122.34 1lce s VAL 248 Ca 0.69 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1lce s VAL 248 Cb -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1lce s VAL 248 CO 0.58 0.61 0.00 0.61 0.00 0.00 0.00 175.10 176.90 1lce n GLY 249 N 2.15 0.13 3.38 4.51 0.00 -0.98 -4.43 105.19 109.95 1lce n GLY 249 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1lce n GLY 249 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lce s GLU 250 N 0.00 1.06 -0.03 1.61 2.12 -1.23 0.39 118.70 122.62 1lce s GLU 250 Ca 0.00 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.00 1lce s GLU 250 Cb 0.00 0.48 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1lce s GLU 250 CO 0.00 -0.40 -0.04 0.12 -0.54 0.00 0.00 175.26 174.40 1lce s PHE 251 N -2.81 0.63 -0.16 5.30 5.36 0.14 -2.17 117.98 124.28 1lce s PHE 251 Ca -0.03 -0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1lce s PHE 251 Cb -0.00 -0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 1lce s PHE 251 CO -0.05 -0.14 -0.05 0.42 -1.46 0.00 0.00 175.22 173.94 1lce s ILE 252 N 0.74 3.72 -0.24 3.12 1.09 0.12 -0.84 121.20 128.90 1lce s ILE 252 Ca -0.09 -0.42 -0.04 0.00 -1.10 0.00 0.00 60.65 59.00 1lce s ILE 252 Cb -0.12 -2.63 -0.00 0.00 -1.06 0.00 0.00 42.46 38.65 1lce s ILE 252 CO -0.00 0.49 -0.02 -2.28 -0.10 0.00 0.00 174.94 173.03 1lce s HIS 253 N 0.44 3.01 -0.08 3.97 2.46 -0.13 -2.28 115.29 122.67 1lce s HIS 253 Ca -0.05 -1.00 0.03 0.00 0.47 0.00 0.00 55.06 54.51 1lce s HIS 253 Cb -0.15 -2.13 -0.01 0.00 -0.13 0.00 0.00 32.58 30.16 1lce s HIS 253 CO 0.03 -0.57 -0.19 0.99 -2.47 0.00 0.00 174.74 172.54 1lce s THR 254 N 1.47 2.58 0.15 0.89 2.01 -1.17 -0.95 115.64 120.62 1lce s THR 254 Ca 0.05 -0.86 0.11 0.00 0.31 0.00 0.00 61.69 61.30 1lce s THR 254 Cb -0.15 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1lce s THR 254 CO -0.02 0.56 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.85 1lce s PHE 255 N -0.05 2.26 0.00 4.92 0.40 -0.10 -1.19 117.98 124.22 1lce s PHE 255 Ca -0.05 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1lce s PHE 255 Cb -0.14 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1lce s PHE 255 CO 0.04 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.76 1lce n GLY 256 N 0.67 0.50 3.54 4.36 0.00 -0.82 -1.98 105.19 111.46 1lce n GLY 256 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1lce n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lce s ASP 257 N -1.00 6.52 -0.20 1.61 -1.08 0.15 -1.78 116.67 120.89 1lce s ASP 257 Ca 0.00 -1.57 -0.17 0.00 -0.52 0.00 0.00 52.55 50.29 1lce s ASP 257 Cb 0.00 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1lce s ASP 257 CO 0.00 -1.42 0.47 0.00 0.52 0.00 0.00 175.17 174.74 1lce s ALA 258 N 4.49 3.55 -0.08 3.66 0.00 -0.97 -0.82 121.76 131.58 1lce s ALA 258 Ca 0.43 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 1lce s ALA 258 Cb -0.01 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1lce s ALA 258 CO -0.10 -0.39 0.22 -3.38 0.00 0.00 0.00 175.76 172.11 1lce s HIS 259 N 1.51 -0.25 0.02 0.00 -0.00 -0.65 -0.96 115.29 114.97 1lce s HIS 259 Ca 0.22 0.60 -0.15 0.00 -0.00 0.00 0.00 55.06 55.73 1lce s HIS 259 Cb -0.15 0.07 -0.06 0.00 -0.00 0.00 0.00 32.58 32.44 1lce s HIS 259 CO 0.09 -0.13 0.43 -1.17 -0.00 0.00 0.00 174.74 173.96 1lce s LEU 260 N 0.31 4.47 0.51 5.38 2.96 -0.82 -0.20 118.68 131.30 1lce s LEU 260 Ca -0.02 1.00 -0.20 0.00 -0.22 0.00 0.00 54.13 54.69 1lce s LEU 260 Cb -0.03 -2.68 -0.07 0.00 0.50 0.00 0.00 46.19 43.91 1lce s LEU 260 CO -0.01 0.30 1.08 -0.31 -1.32 0.00 0.00 176.35 176.09 1lce s TYR 261 N -1.12 2.84 0.05 5.38 1.51 -1.25 -3.03 117.35 121.73 1lce s TYR 261 Ca 0.26 1.56 0.32 0.00 -1.01 0.00 0.00 57.07 58.20 1lce s TYR 261 Cb -0.17 -3.18 1.51 0.00 -0.11 0.00 0.00 41.96 40.01 1lce s TYR 261 CO 0.15 -1.20 1.96 0.28 -1.11 0.00 0.00 175.55 175.63 1lce h VAL 262 N 1.40 0.00 -0.12 0.71 2.07 -1.33 -1.67 116.25 117.31 1lce h VAL 262 Ca -0.50 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1lce h VAL 262 Cb 1.24 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1lce h VAL 262 CO 0.58 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.83 1lce h ASN 263 N 0.00 0.31 0.00 0.57 4.21 -1.87 -3.35 115.58 115.45 1lce h ASN 263 Ca 0.00 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 57.02 1lce h ASN 263 Cb 0.27 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1lce h ASN 263 CO 0.00 0.73 0.00 1.41 -1.29 0.00 0.00 177.43 178.28 1lce n HIS 264 N -4.61 0.00 -0.03 1.19 8.25 -0.63 -4.02 115.22 115.38 1lce n HIS 264 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 1lce n HIS 264 Cb 0.34 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.36 1lce n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lce h LEU 265 N 0.10 0.14 -0.30 2.41 3.38 -1.70 -1.34 115.31 118.01 1lce h LEU 265 Ca 0.00 -0.38 -0.20 0.00 0.09 0.00 0.00 57.88 57.39 1lce h LEU 265 Cb 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1lce h LEU 265 CO 0.00 0.49 -0.72 0.44 0.09 0.00 0.00 178.44 178.74 1lce h ASP 266 N -0.20 0.75 -0.23 -0.43 3.32 -1.91 -0.72 116.42 117.00 1lce h ASP 266 Ca 0.02 -0.47 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1lce h ASP 266 Cb 0.43 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1lce h ASP 266 CO 0.01 1.24 -0.19 1.56 -1.72 0.00 0.00 179.24 180.14 1lce h GLN 267 N 0.45 0.53 -0.43 3.56 7.50 -1.82 0.96 115.11 125.86 1lce h GLN 267 Ca -0.03 -0.27 -0.07 0.00 0.50 0.00 0.00 58.65 58.78 1lce h GLN 267 Cb 1.32 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.83 1lce h GLN 267 CO 0.14 0.85 0.01 0.97 -1.50 0.00 0.00 178.83 179.29 1lce h ILE 268 N 0.23 1.26 -1.00 2.54 6.09 -1.29 -2.84 117.51 122.50 1lce h ILE 268 Ca 0.04 -1.01 0.20 0.00 -1.37 0.00 0.00 64.86 62.71 1lce h ILE 268 Cb 0.73 1.07 -0.11 0.00 0.47 0.00 0.00 36.82 38.99 1lce h ILE 268 CO 0.05 0.35 0.61 0.11 -3.07 0.00 0.00 178.15 176.20 1lce h LYS 269 N 0.59 0.70 0.00 2.19 1.79 -0.69 -1.76 116.57 119.39 1lce h LYS 269 Ca 0.12 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1lce h LYS 269 Cb 0.47 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1lce h LYS 269 CO 0.02 0.47 -0.05 1.49 -1.08 0.00 0.00 179.45 180.30 1lce h GLU 270 N 0.72 0.00 0.14 3.15 4.81 -0.62 -2.49 114.58 120.30 1lce h GLU 270 Ca 0.58 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.47 1lce h GLU 270 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1lce h GLU 270 CO -0.37 0.05 -1.79 0.37 -0.73 0.00 0.00 179.01 176.53 1lce h GLN 271 N 0.00 0.29 -0.34 1.92 -0.00 -1.10 -3.25 115.11 112.63 1lce h GLN 271 Ca -0.00 -0.49 -0.13 0.00 -0.00 0.00 0.00 58.65 58.03 1lce h GLN 271 Cb 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 1lce h GLN 271 CO 0.01 1.17 -0.31 -0.07 0.00 0.00 0.00 178.83 179.63 1lce h LEU 272 N 0.08 0.76 -0.54 -2.39 3.38 -1.34 -2.81 115.31 112.45 1lce h LEU 272 Ca -0.35 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 57.47 1lce h LEU 272 Cb 2.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1lce h LEU 272 CO 0.13 1.01 1.01 -0.24 0.09 0.00 0.00 178.44 180.45 1lce n SER 273 N -4.08 0.00 -4.72 -0.43 2.88 -0.95 -4.66 113.62 101.66 1lce n SER 273 Ca -0.01 0.58 -0.26 0.00 -1.33 0.00 0.00 58.87 57.85 1lce n SER 273 Cb 0.48 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.72 1lce n SER 273 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lce s ARG 274 N -3.96 2.16 -0.16 -1.46 3.03 -1.06 -5.12 118.95 112.36 1lce s ARG 274 Ca -0.01 -1.96 -0.11 0.00 2.03 0.00 0.00 55.73 55.67 1lce s ARG 274 Cb 0.07 -1.87 -0.05 0.00 -1.03 0.00 0.00 34.95 32.08 1lce s ARG 274 CO 0.24 -0.15 0.21 0.99 -1.13 0.00 0.00 175.30 175.46 1lce s THR 275 N -2.66 5.37 -0.21 4.99 2.01 -1.26 -5.05 115.64 118.82 1lce s THR 275 Ca 0.36 0.36 -0.35 0.00 0.31 0.00 0.00 61.69 62.38 1lce s THR 275 Cb 0.05 -3.53 -0.12 0.00 0.01 0.00 0.00 72.50 68.91 1lce s THR 275 CO 0.20 0.45 1.97 -2.65 -0.69 0.00 0.00 174.62 173.90 1lce n PRO 276 N 3.26 1.67 -2.26 4.92 -0.02 -1.26 -4.78 135.00 136.53 1lce n PRO 276 Ca -0.15 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.64 1lce n PRO 276 Cb 0.52 -2.54 0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1lce n PRO 276 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1lce s ARG 277 N 4.78 2.43 0.30 -0.52 1.70 -1.26 -5.01 118.95 121.37 1lce s ARG 277 Ca 0.99 -0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.78 1lce s ARG 277 Cb -0.78 -2.20 -0.12 0.00 -0.57 0.00 0.00 34.95 31.28 1lce s ARG 277 CO 0.52 -1.07 1.55 -2.30 -1.08 0.00 0.00 175.30 172.92 1lce n PRO 278 N -2.82 2.59 -1.70 3.89 -0.02 -1.26 -4.77 135.00 130.92 1lce n PRO 278 Ca 0.07 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 62.04 1lce n PRO 278 Cb 0.60 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1lce n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lce n ALA 279 N 1.82 1.73 -1.18 3.55 0.00 -1.26 -4.92 120.51 120.25 1lce n ALA 279 Ca 0.08 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.57 1lce n ALA 279 Cb 0.36 -2.35 0.11 0.00 0.00 0.00 0.00 19.45 17.57 1lce n ALA 279 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1lce n PRO 280 N 1.96 0.27 -4.21 0.00 -0.04 -1.26 -4.56 135.00 127.16 1lce n PRO 280 Ca 0.10 0.16 -0.35 0.00 -0.04 0.00 0.00 63.50 63.37 1lce n PRO 280 Cb 0.34 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 1lce n PRO 280 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1lce s THR 281 N -2.02 4.50 0.03 0.52 2.01 0.12 -0.20 115.64 120.59 1lce s THR 281 Ca 0.72 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.63 1lce s THR 281 Cb -0.31 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1lce s THR 281 CO 0.52 0.54 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.58 1lce s LEU 282 N -0.23 2.58 0.30 4.42 0.20 -1.26 0.16 118.68 124.85 1lce s LEU 282 Ca 0.07 -0.40 0.07 0.00 0.69 0.00 0.00 54.13 54.55 1lce s LEU 282 Cb -0.12 -1.50 -0.06 0.00 -0.43 0.00 0.00 46.19 44.07 1lce s LEU 282 CO 0.02 0.27 -0.04 0.00 -0.29 0.00 0.00 176.35 176.31 1lce s GLN 283 N -1.29 1.62 0.12 1.98 1.03 -1.17 -4.93 119.66 117.03 1lce s GLN 283 Ca 0.14 -1.84 0.08 0.00 0.04 0.00 0.00 55.36 53.77 1lce s GLN 283 Cb -0.10 -1.21 -0.04 0.00 0.03 0.00 0.00 33.01 31.69 1lce s GLN 283 CO 0.04 0.01 -0.18 -0.51 -2.54 0.00 0.00 175.29 172.11 1lce s LEU 284 N -3.49 2.36 -0.17 2.60 1.43 -1.26 -1.96 118.68 118.19 1lce s LEU 284 Ca 0.31 -0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 1lce s LEU 284 Cb 0.05 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1lce s LEU 284 CO 0.13 -0.02 1.82 0.21 0.23 0.00 0.00 176.35 178.72 1lce s ASN 285 N -2.24 6.19 0.14 2.29 3.84 0.21 -4.83 114.94 120.54 1lce s ASN 285 Ca 0.09 1.89 0.17 0.00 0.21 0.00 0.00 52.86 55.22 1lce s ASN 285 Cb -0.08 -2.53 -0.06 0.00 -0.55 0.00 0.00 41.25 38.03 1lce s ASN 285 CO 0.05 -1.37 1.01 1.55 -2.79 0.00 0.00 177.10 175.55 1lce h PRO 286 N 11.65 0.00 -0.14 0.43 0.13 -1.99 -3.19 132.00 138.89 1lce h PRO 286 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 1lce h PRO 286 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lce h PRO 286 CO 0.98 0.29 -0.14 -0.44 -0.23 0.00 0.00 178.00 178.47 1lce h ASP 287 N 0.00 0.36 -4.08 1.44 3.32 -2.01 -3.41 116.42 112.03 1lce h ASP 287 Ca -0.10 -0.48 -0.47 0.00 0.02 0.00 0.00 57.03 56.00 1lce h ASP 287 Cb 1.45 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.92 1lce h ASP 287 CO 0.04 0.76 0.38 -0.54 -1.72 0.00 0.00 179.24 178.16 1lce s LYS 288 N -4.30 3.84 0.00 3.56 1.02 -1.21 -4.87 119.74 117.78 1lce s LYS 288 Ca -0.14 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1lce s LYS 288 Cb 0.05 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1lce s LYS 288 CO 0.75 -0.39 0.00 0.72 -0.92 0.00 0.00 175.35 175.51 1lce n HIS 289 N -1.01 0.00 -2.55 3.18 8.25 -1.26 -4.81 115.22 117.01 1lce n HIS 289 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 1lce n HIS 289 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 1lce n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1lce s ASP 290 N -1.45 6.78 0.33 0.41 -1.08 -1.26 -4.52 116.67 115.87 1lce s ASP 290 Ca 0.00 1.01 0.05 0.00 -0.52 0.00 0.00 52.55 53.10 1lce s ASP 290 Cb 0.00 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.48 1lce s ASP 290 CO 0.00 -1.02 1.82 0.16 0.52 0.00 0.00 175.17 176.65 1lce h ILE 291 N 5.90 1.23 0.00 4.11 3.07 -1.95 -3.04 117.51 126.83 1lce h ILE 291 Ca -0.23 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.17 1lce h ILE 291 Cb 1.07 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 1lce h ILE 291 CO 1.05 0.32 0.00 0.49 -1.05 0.00 0.00 178.15 178.96 1lce n PHE 292 N -4.20 0.00 -3.45 0.16 3.72 -1.26 -2.21 117.46 110.21 1lce n PHE 292 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1lce n PHE 292 Cb 0.32 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 1lce n PHE 292 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1lce n ASP 293 N -1.43 4.81 -3.91 4.37 8.00 -1.15 -4.81 116.55 122.43 1lce n ASP 293 Ca 0.01 -3.18 -0.30 0.00 0.71 0.00 0.00 54.79 52.02 1lce n ASP 293 Cb 0.03 -1.12 -0.16 0.00 -0.02 0.00 0.00 41.12 39.84 1lce n ASP 293 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1lce s PHE 294 N -1.69 2.19 0.48 1.24 0.40 -0.94 -4.79 117.98 114.87 1lce s PHE 294 Ca 0.30 -1.60 -0.15 0.00 -0.60 0.00 0.00 56.93 54.88 1lce s PHE 294 Cb -0.04 -1.50 -0.08 0.00 0.51 0.00 0.00 43.02 41.92 1lce s PHE 294 CO -0.07 -0.74 0.93 0.34 0.70 0.00 0.00 175.22 176.38 1lce s ASP 295 N 1.47 6.61 0.38 1.36 2.15 -1.26 -4.90 116.67 122.47 1lce s ASP 295 Ca -0.05 1.47 0.26 0.00 0.43 0.00 0.00 52.55 54.66 1lce s ASP 295 Cb -0.18 -2.46 1.30 0.00 -0.30 0.00 0.00 42.92 41.28 1lce s ASP 295 CO -0.07 -0.53 1.42 0.80 -0.17 0.00 0.00 175.17 176.62 1lce n MET 296 N -1.47 -0.04 0.28 4.34 0.00 -1.26 -0.14 117.12 118.83 1lce n MET 296 Ca 0.06 1.17 0.15 0.00 0.00 0.00 0.00 57.70 59.08 1lce n MET 296 Cb 0.54 -2.24 0.84 0.00 0.00 0.00 0.00 33.22 32.36 1lce n MET 296 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1lce h LYS 297 N 0.00 0.00 0.00 2.12 1.79 -2.04 -3.22 116.57 115.21 1lce h LYS 297 Ca 0.79 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.26 1lce h LYS 297 Cb 2.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.03 1lce h LYS 297 CO -0.52 0.07 0.00 -0.44 -1.08 0.00 0.00 179.45 177.48 1lce h ASP 298 N 0.00 0.00 -3.31 0.86 3.32 -0.89 -3.43 116.42 112.96 1lce h ASP 298 Ca -0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1lce h ASP 298 Cb 0.22 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.59 1lce h ASP 298 CO 0.01 0.00 -0.62 -0.63 -1.72 0.00 0.00 179.24 176.27 1lce s ILE 299 N -3.28 4.28 0.25 0.35 1.01 -1.22 0.64 121.20 123.23 1lce s ILE 299 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.53 1lce s ILE 299 Cb 0.07 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1lce s ILE 299 CO 0.63 0.55 -0.04 -0.75 0.00 0.00 0.00 174.94 175.33 1lce s LYS 300 N -0.29 1.44 -0.35 2.79 2.47 -0.83 -5.00 119.74 119.97 1lce s LYS 300 Ca 0.06 -1.72 -0.00 0.00 -1.56 0.00 0.00 55.97 52.75 1lce s LYS 300 Cb -0.12 -0.93 0.12 0.00 -1.46 0.00 0.00 37.83 35.43 1lce s LYS 300 CO 0.02 -0.00 0.16 -1.17 0.16 0.00 0.00 175.35 174.52 1lce s LEU 301 N -3.37 1.80 -0.49 5.43 2.96 -1.26 -3.03 118.68 120.71 1lce s LEU 301 Ca 0.28 -1.94 -0.28 0.00 -0.22 0.00 0.00 54.13 51.97 1lce s LEU 301 Cb 0.04 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 46.04 1lce s LEU 301 CO 0.10 -0.36 1.09 -0.76 -1.32 0.00 0.00 176.35 175.10 1lce s LEU 302 N 1.27 3.71 0.00 -0.68 1.43 0.44 -4.52 118.68 120.33 1lce s LEU 302 Ca 0.13 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1lce s LEU 302 Cb -0.20 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1lce s LEU 302 CO -0.15 -1.23 0.00 -0.46 0.23 0.00 0.00 176.35 174.74 1lce n ASN 303 N 7.75 -2.82 -4.16 2.29 6.94 -1.26 0.10 115.26 124.11 1lce n ASN 303 Ca 0.10 0.51 -0.28 0.00 -0.02 0.00 0.00 54.58 54.89 1lce n ASN 303 Cb 0.49 -0.80 -0.16 0.00 -2.36 0.00 0.00 39.78 36.95 1lce n ASN 303 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1lce s TYR 304 N 0.00 1.99 -0.25 -2.53 5.04 -1.26 -4.07 117.35 116.28 1lce s TYR 304 Ca 0.00 -0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 53.93 1lce s TYR 304 Cb 0.00 -1.35 0.14 0.00 0.35 0.00 0.00 41.96 41.10 1lce s TYR 304 CO 0.00 -0.26 0.40 0.16 -1.34 0.00 0.00 175.55 174.51 1lce s ASP 305 N 0.21 0.07 0.05 4.32 -4.77 -1.26 -5.12 116.67 110.17 1lce s ASP 305 Ca -0.10 0.30 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 1lce s ASP 305 Cb -0.14 1.23 0.00 0.00 -1.09 0.00 0.00 42.92 42.91 1lce s ASP 305 CO 0.04 -0.30 0.00 -0.81 0.70 0.00 0.00 175.17 174.81 1lce n PRO 306 N 5.37 1.55 0.00 2.11 -0.04 -1.26 -4.71 135.00 138.02 1lce n PRO 306 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1lce n PRO 306 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1lce n PRO 306 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1lce n TYR 307 N -0.13 0.00 0.00 0.54 4.02 -0.57 -4.88 117.16 116.14 1lce n TYR 307 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1lce n TYR 307 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1lce n TYR 307 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1lce n PRO 308 N 0.00 0.00 -0.60 -0.72 -0.02 -1.26 -4.24 135.00 128.16 1lce n PRO 308 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1lce n PRO 308 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1lce n PRO 308 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lce n ALA 309 N 0.00 -0.00 -2.98 3.55 0.00 -1.26 -1.07 120.51 118.74 1lce n ALA 309 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1lce n ALA 309 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1lce n ALA 309 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lce s ILE 310 N -0.07 0.10 -0.32 0.00 1.01 -1.26 -4.76 121.20 115.90 1lce s ILE 310 Ca 0.02 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 1lce s ILE 310 Cb -0.00 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.85 1lce s ILE 310 CO 0.02 -0.45 0.65 -1.59 0.00 0.00 0.00 174.94 173.57 1lce s LYS 311 N -1.84 3.84 -0.03 2.79 -2.85 -1.26 -5.07 119.74 115.32 1lce s LYS 311 Ca -0.11 0.26 -0.03 0.00 -1.00 0.00 0.00 55.97 55.08 1lce s LYS 311 Cb -0.05 -3.75 -0.04 0.00 -2.06 0.00 0.00 37.83 31.93 1lce s LYS 311 CO -0.01 -0.64 0.17 0.00 0.10 0.00 0.00 175.35 174.97 1lce s ALA 312 N 2.69 3.92 0.86 0.59 0.00 -1.26 -4.90 121.76 123.65 1lce s ALA 312 Ca 0.26 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1lce s ALA 312 Cb -0.15 -1.88 0.11 0.00 0.00 0.00 0.00 23.12 21.21 1lce s ALA 312 CO 0.13 0.72 1.11 -2.14 0.00 0.00 0.00 175.76 175.58 1lce s PRO 313 N -1.74 1.49 -0.24 0.00 0.02 -1.26 -4.86 135.00 128.39 1lce s PRO 313 Ca 0.25 1.31 -0.06 0.00 0.02 0.00 0.00 61.00 62.52 1lce s PRO 313 Cb -0.12 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 1lce s PRO 313 CO 0.15 -2.23 0.61 1.33 -0.33 0.00 0.00 177.00 176.54 1lce n VAL 314 N -3.94 0.00 0.00 3.83 0.24 -1.26 -5.00 118.33 112.20 1lce n VAL 314 Ca 0.10 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1lce n VAL 314 Cb 0.53 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1lce n VAL 314 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lce n ALA 315 N 2.14 0.00 -1.78 2.33 0.00 -1.26 -5.16 120.51 116.78 1lce n ALA 315 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1lce n ALA 315 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1lce n ALA 315 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05