#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sio n PRO 3 N 0.00 2.45 -4.24 0.00 -0.04 -1.26 -4.96 135.00 126.95 1sio n PRO 3 Ca 0.00 0.89 -0.26 0.00 -0.04 0.00 0.00 63.50 64.09 1sio n PRO 3 Cb 0.00 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 1sio n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sio n THR 4 N 4.68 0.00 -3.74 0.52 -2.24 0.01 -5.01 114.28 108.50 1sio n THR 4 Ca 0.20 -2.07 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 1sio n THR 4 Cb 0.33 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1sio n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sio s ALA 5 N -2.82 -0.62 0.13 6.98 0.00 -1.26 -2.98 121.76 121.19 1sio s ALA 5 Ca 0.06 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1sio s ALA 5 Cb 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1sio s ALA 5 CO 0.04 -0.55 -0.14 0.71 0.00 0.00 0.00 175.76 175.82 1sio s TYR 6 N -3.58 1.40 0.64 0.00 2.02 -0.27 -4.92 117.35 112.65 1sio s TYR 6 Ca 0.02 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.04 1sio s TYR 6 Cb 0.02 -0.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 1sio s TYR 6 CO -0.10 0.15 1.04 0.95 -1.57 0.00 0.00 175.55 176.02 1sio s THR 7 N -2.22 4.38 0.54 -0.71 -4.23 -1.26 -0.30 115.64 111.84 1sio s THR 7 Ca 0.10 0.81 0.23 0.00 -1.18 0.00 0.00 61.69 61.64 1sio s THR 7 Cb -0.04 -3.65 0.34 0.00 1.34 0.00 0.00 72.50 70.49 1sio s THR 7 CO 0.03 -0.98 2.09 -0.65 -0.54 0.00 0.00 174.62 174.57 1sio h PRO 8 N -0.38 0.00 -0.45 3.99 0.11 -1.94 -1.04 132.00 132.30 1sio h PRO 8 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1sio h PRO 8 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1sio h PRO 8 CO 0.60 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.25 1sio h LEU 9 N 0.00 0.76 -0.59 2.35 3.38 -1.92 -0.14 115.31 119.14 1sio h LEU 9 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1sio h LEU 9 Cb 0.48 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1sio h LEU 9 CO -0.00 0.86 0.34 0.44 0.09 0.00 0.00 178.44 180.18 1sio h ASP 10 N 0.71 0.73 -0.25 -0.43 3.32 -1.57 -1.77 116.42 117.16 1sio h ASP 10 Ca 0.13 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1sio h ASP 10 Cb 0.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1sio h ASP 10 CO 0.03 0.59 -0.14 0.58 -1.72 0.00 0.00 179.24 178.58 1sio h VAL 11 N 0.80 1.30 -0.94 -1.35 2.07 -1.10 -2.20 116.25 114.83 1sio h VAL 11 Ca 0.21 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1sio h VAL 11 Cb 0.01 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1sio h VAL 11 CO -0.04 0.38 0.62 0.00 0.02 0.00 0.00 177.57 178.55 1sio h ALA 12 N 0.72 1.22 -0.49 1.67 0.00 -0.94 -1.07 119.26 120.36 1sio h ALA 12 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1sio h ALA 12 Cb 0.65 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sio h ALA 12 CO 0.04 0.53 0.12 0.37 0.00 0.00 0.00 179.25 180.31 1sio h GLN 13 N 1.23 0.79 -0.74 0.00 5.75 -1.20 0.48 115.11 121.41 1sio h GLN 13 Ca 0.36 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.78 1sio h GLN 13 Cb -0.07 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.30 1sio h GLN 13 CO -0.10 0.77 0.36 0.00 -2.65 0.00 0.00 178.83 177.21 1sio h ALA 14 N 0.99 1.05 -0.15 3.38 0.00 -1.15 0.21 119.26 123.59 1sio h ALA 14 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sio h ALA 14 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sio h ALA 14 CO 0.00 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.84 1sio n TYR 15 N -4.88 0.30 -3.79 0.00 4.01 -0.43 -4.59 117.16 107.79 1sio n TYR 15 Ca 0.13 -0.12 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1sio n TYR 15 Cb 0.32 -0.07 0.04 0.00 -0.31 0.00 0.00 39.34 39.32 1sio n TYR 15 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1sio n GLN 16 N 0.03 -5.75 -1.76 -0.72 1.13 0.73 -1.07 117.38 109.96 1sio n GLN 16 Ca 0.06 0.65 -0.41 0.00 -1.94 0.00 0.00 57.00 55.35 1sio n GLN 16 Cb 0.25 -5.47 -0.00 0.00 0.11 0.00 0.00 30.24 25.13 1sio n GLN 16 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1sio n PHE 17 N -4.59 2.86 -2.02 1.08 3.01 -0.61 0.06 117.46 117.25 1sio n PHE 17 Ca -0.08 0.45 -0.42 0.00 1.01 0.00 0.00 57.45 58.42 1sio n PHE 17 Cb 0.58 -2.52 -0.03 0.00 -0.01 0.00 0.00 39.48 37.51 1sio n PHE 17 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1sio s PRO 18 N -1.95 4.26 0.63 -1.08 0.04 -1.26 -4.70 135.00 130.94 1sio s PRO 18 Ca 0.54 2.27 -0.16 0.00 0.04 0.00 0.00 61.00 63.70 1sio s PRO 18 Cb -0.49 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 1sio s PRO 18 CO 0.62 -0.48 1.11 -2.00 0.04 0.00 0.00 177.00 176.29 1sio s GLU 19 N 0.43 2.98 -0.92 4.56 -6.30 -1.26 -3.90 118.70 114.29 1sio s GLU 19 Ca 0.64 1.40 0.00 0.00 -2.50 0.00 0.00 54.97 54.51 1sio s GLU 19 Cb -0.41 -1.97 0.00 0.00 0.00 0.00 0.00 34.13 31.74 1sio s GLU 19 CO 0.36 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1sio n GLY 20 N -0.46 1.03 3.13 -1.50 0.00 -1.26 -5.01 105.19 101.11 1sio n GLY 20 Ca 0.10 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1sio n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sio s LEU 21 N -1.98 1.89 -0.01 0.99 1.43 -1.25 -5.05 118.68 114.70 1sio s LEU 21 Ca 0.00 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1sio s LEU 21 Cb 0.00 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1sio s LEU 21 CO 0.00 0.13 0.80 -0.90 0.23 0.00 0.00 176.35 176.62 1sio n ASP 22 N 3.33 1.04 0.00 2.29 5.75 -1.26 -4.91 116.55 122.78 1sio n ASP 22 Ca -0.19 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1sio n ASP 22 Cb 0.53 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1sio n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sio n GLY 23 N -0.33 0.91 3.68 6.12 0.00 -1.26 0.50 105.19 114.81 1sio n GLY 23 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1sio n GLY 23 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sio n GLN 24 N -2.00 2.01 -0.75 1.61 -0.06 -1.25 -0.67 117.38 116.27 1sio n GLN 24 Ca 0.00 0.71 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 1sio n GLN 24 Cb 0.00 -2.31 0.00 0.00 -4.06 0.00 0.00 30.24 23.87 1sio n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sio n GLY 25 N 1.42 0.84 3.68 1.69 0.00 -1.26 -4.78 105.19 106.78 1sio n GLY 25 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1sio n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sio s GLN 26 N -0.25 2.47 -0.14 1.61 -1.52 0.15 -5.03 119.66 116.95 1sio s GLN 26 Ca 0.00 -1.05 0.02 0.00 -1.95 0.00 0.00 55.36 52.38 1sio s GLN 26 Cb 0.00 -2.41 0.02 0.00 -0.22 0.00 0.00 33.01 30.40 1sio s GLN 26 CO 0.00 0.47 -0.18 0.00 -0.25 0.00 0.00 175.29 175.33 1sio s ILE 28 N 1.07 4.94 0.15 0.00 1.01 1.00 -1.15 121.20 128.22 1sio s ILE 28 Ca -0.03 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 1sio s ILE 28 Cb -0.14 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 1sio s ILE 28 CO -0.05 0.19 0.70 0.00 0.00 0.00 0.00 174.94 175.77 1sio s ALA 29 N 1.69 3.49 -0.09 9.38 0.00 -0.31 -1.32 121.76 134.60 1sio s ALA 29 Ca 0.06 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 1sio s ALA 29 Cb -0.16 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1sio s ALA 29 CO 0.08 0.34 -0.06 0.42 0.00 0.00 0.00 175.76 176.54 1sio s ILE 30 N -1.22 0.85 -0.01 0.00 1.01 -0.08 -0.51 121.20 121.25 1sio s ILE 30 Ca 0.35 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 1sio s ILE 30 Cb -0.21 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 1sio s ILE 30 CO 0.23 0.33 0.53 -0.63 0.00 0.00 0.00 174.94 175.40 1sio s ILE 31 N 1.53 4.95 -0.02 2.92 -1.09 -0.76 -1.61 121.20 127.13 1sio s ILE 31 Ca 0.01 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 1sio s ILE 31 Cb -0.13 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1sio s ILE 31 CO -0.05 0.46 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.50 1sio s GLU 32 N -0.39 0.26 -0.03 2.79 0.41 0.50 -4.62 118.70 117.61 1sio s GLU 32 Ca 0.28 -0.01 0.13 0.00 -0.41 0.00 0.00 54.97 54.96 1sio s GLU 32 Cb -0.18 -0.35 0.38 0.00 -1.78 0.00 0.00 34.13 32.20 1sio s GLU 32 CO 0.16 -0.04 1.32 1.28 -0.49 0.00 0.00 175.26 177.48 1sio n LEU 33 N 3.61 3.23 0.00 1.80 4.77 -1.26 -1.85 117.00 127.29 1sio n LEU 33 Ca -0.20 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 1sio n LEU 33 Cb 0.54 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1sio n LEU 33 CO 0.24 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1sio n GLY 34 N 0.48 1.27 7.00 -0.72 0.00 -1.26 -3.49 105.19 108.47 1sio n GLY 34 Ca 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1sio n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sio n GLY 35 N -0.47 0.95 0.00 -0.02 0.00 -1.26 -4.77 105.19 99.62 1sio n GLY 35 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1sio n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sio n GLY 36 N 0.00 -1.13 3.19 -0.02 0.00 -1.24 -2.03 105.19 103.96 1sio n GLY 36 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 1sio n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sio s TYR 37 N -3.00 1.08 0.00 1.61 -0.85 -1.26 -4.51 117.35 110.42 1sio s TYR 37 Ca 0.00 -0.68 0.05 0.00 -0.52 0.00 0.00 57.07 55.92 1sio s TYR 37 Cb 0.00 -0.59 -0.03 0.00 0.38 0.00 0.00 41.96 41.72 1sio s TYR 37 CO 0.00 0.00 -0.14 0.16 -1.52 0.00 0.00 175.55 174.06 1sio s ASP 38 N -2.56 4.09 0.47 -0.18 -4.77 -1.26 -4.77 116.67 107.68 1sio s ASP 38 Ca 0.07 -0.28 0.16 0.00 -3.30 0.00 0.00 52.55 49.21 1sio s ASP 38 Cb -0.02 -0.81 1.11 0.00 -1.09 0.00 0.00 42.92 42.12 1sio s ASP 38 CO -0.00 0.29 2.03 -0.33 0.70 0.00 0.00 175.17 177.86 1sio h GLU 39 N 4.80 0.00 -0.33 2.11 4.39 -2.01 -2.64 114.58 120.90 1sio h GLU 39 Ca -0.47 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.11 1sio h GLU 39 Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1sio h GLU 39 CO 0.50 0.14 -0.26 0.00 -1.16 0.00 0.00 179.01 178.24 1sio h ALA 40 N 1.86 0.93 -0.35 3.43 0.00 -2.00 -2.47 119.26 120.67 1sio h ALA 40 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1sio h ALA 40 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1sio h ALA 40 CO 0.02 0.61 0.15 0.77 0.00 0.00 0.00 179.25 180.81 1sio h SER 41 N 0.58 0.47 -0.69 0.00 0.02 -1.83 -2.28 113.55 109.81 1sio h SER 41 Ca 0.08 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1sio h SER 41 Cb 0.74 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1sio h SER 41 CO 0.06 0.49 0.26 -0.07 -1.14 0.00 0.00 176.83 176.43 1sio h LEU 42 N 0.42 0.98 -0.51 5.07 3.38 -1.43 -1.28 115.31 121.94 1sio h LEU 42 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1sio h LEU 42 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1sio h LEU 42 CO -0.01 0.89 0.05 0.00 0.09 0.00 0.00 178.44 179.46 1sio h ALA 43 N 1.25 0.69 -0.13 1.53 0.00 -1.32 -0.59 119.26 120.69 1sio h ALA 43 Ca 0.24 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1sio h ALA 43 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sio h ALA 43 CO -0.02 0.45 -0.38 0.37 0.00 0.00 0.00 179.25 179.68 1sio h GLN 44 N 0.75 0.27 0.12 0.00 4.15 -1.24 -2.31 115.11 116.84 1sio h GLN 44 Ca 0.15 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1sio h GLN 44 Cb 0.44 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1sio h GLN 44 CO 0.02 0.61 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.55 1sio h TYR 45 N 0.23 -0.15 0.00 3.99 3.20 -0.42 -2.35 116.97 121.47 1sio h TYR 45 Ca 0.02 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1sio h TYR 45 Cb 0.77 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1sio h TYR 45 CO 0.01 0.33 -0.15 0.74 -1.64 0.00 0.00 178.16 177.46 1sio h PHE 46 N -0.80 0.00 -0.27 -3.82 0.04 -1.20 -1.26 116.94 109.63 1sio h PHE 46 Ca -0.02 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 1sio h PHE 46 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1sio h PHE 46 CO 0.10 0.15 -0.52 0.00 -0.60 0.00 0.00 178.31 177.43 1sio h ALA 47 N 1.85 0.56 -0.60 2.45 0.00 -1.43 -1.95 119.26 120.14 1sio h ALA 47 Ca -0.00 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1sio h ALA 47 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1sio h ALA 47 CO 0.02 0.68 0.40 0.77 0.00 0.00 0.00 179.25 181.13 1sio h SER 48 N 0.61 0.38 0.79 0.00 0.02 -0.67 -2.22 113.55 112.45 1sio h SER 48 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1sio h SER 48 Cb 1.11 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1sio h SER 48 CO 0.11 0.23 -0.42 0.18 -1.14 0.00 0.00 176.83 175.78 1sio n LEU 49 N -4.47 0.51 -0.45 5.07 4.77 -1.00 -4.93 117.00 116.49 1sio n LEU 49 Ca 0.10 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.24 1sio n LEU 49 Cb 0.37 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1sio n LEU 49 CO 0.34 0.02 -0.05 0.61 -1.33 0.00 0.00 177.39 176.97 1sio n GLY 50 N 1.43 0.52 3.38 -0.72 0.00 -0.84 -5.01 105.19 103.94 1sio n GLY 50 Ca 0.05 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1sio n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sio s VAL 51 N -2.21 2.45 -0.02 1.61 -7.23 -0.79 -5.06 120.40 109.15 1sio s VAL 51 Ca 0.00 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 1sio s VAL 51 Cb 0.00 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 1sio s VAL 51 CO 0.00 0.58 1.99 -2.16 -0.31 0.00 0.00 175.10 175.19 1sio s PRO 52 N -0.67 3.96 0.33 4.82 0.04 -1.26 -4.41 135.00 137.80 1sio s PRO 52 Ca 0.11 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 1sio s PRO 52 Cb -0.10 -4.19 -0.12 0.00 0.04 0.00 0.00 34.50 30.14 1sio s PRO 52 CO -0.00 -1.16 1.52 0.00 0.04 0.00 0.00 177.00 177.40 1sio n ALA 53 N 8.27 2.32 -1.64 8.56 0.00 -1.26 -4.88 120.51 131.88 1sio n ALA 53 Ca 0.21 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 1sio n ALA 53 Cb 0.42 -2.42 0.04 0.00 0.00 0.00 0.00 19.45 17.48 1sio n ALA 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sio s PRO 54 N -1.24 3.13 0.16 0.00 0.04 -1.26 -5.01 135.00 130.82 1sio s PRO 54 Ca 0.59 0.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 1sio s PRO 54 Cb -0.50 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1sio s PRO 54 CO 0.56 -0.95 1.46 -1.14 0.04 0.00 0.00 177.00 176.97 1sio s GLN 55 N -4.97 4.28 -0.07 4.56 0.74 -1.26 -5.00 119.66 117.94 1sio s GLN 55 Ca 0.58 2.21 0.03 0.00 0.05 0.00 0.00 55.36 58.23 1sio s GLN 55 Cb -0.13 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.79 1sio s GLN 55 CO 0.53 -0.49 -0.16 0.08 -0.55 0.00 0.00 175.29 174.70 1sio s VAL 56 N 0.91 1.45 -0.01 1.34 1.01 -1.26 -2.19 120.40 121.65 1sio s VAL 56 Ca 0.65 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1sio s VAL 56 Cb -0.40 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1sio s VAL 56 CO 0.33 0.42 -0.16 0.68 0.00 0.00 0.00 175.10 176.37 1sio s VAL 57 N 0.48 1.29 0.30 2.92 -7.23 0.15 -4.98 120.40 113.34 1sio s VAL 57 Ca -0.14 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1sio s VAL 57 Cb -0.16 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 1sio s VAL 57 CO 0.05 0.37 0.56 -0.44 -0.31 0.00 0.00 175.10 175.32 1sio s SER 58 N -0.36 6.41 -0.06 4.85 0.01 -1.26 -1.00 113.70 122.28 1sio s SER 58 Ca 0.06 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1sio s SER 58 Cb -0.07 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 64.06 1sio s SER 58 CO -0.00 -0.23 -0.05 -0.69 0.41 0.00 0.00 173.24 172.68 1sio s VAL 59 N -2.15 0.65 -0.17 3.43 1.01 -0.34 -4.87 120.40 117.97 1sio s VAL 59 Ca 0.43 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 1sio s VAL 59 Cb -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1sio s VAL 59 CO 0.32 0.27 0.78 -0.55 0.00 0.00 0.00 175.10 175.92 1sio s SER 60 N 1.25 6.89 -0.06 3.32 0.15 -1.26 -1.04 113.70 122.95 1sio s SER 60 Ca -0.05 1.09 0.05 0.00 0.70 0.00 0.00 55.95 57.74 1sio s SER 60 Cb -0.14 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1sio s SER 60 CO -0.02 -0.35 -0.20 -0.69 1.20 0.00 0.00 173.24 173.18 1sio s VAL 61 N 2.01 1.69 -1.64 4.45 1.01 0.37 -4.75 120.40 123.54 1sio s VAL 61 Ca 0.36 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1sio s VAL 61 Cb -0.16 -1.46 0.13 0.00 0.00 0.00 0.00 36.38 34.89 1sio s VAL 61 CO 0.12 0.48 0.77 0.47 0.00 0.00 0.00 175.10 176.94 1sio n ASP 62 N 3.23 -3.16 0.00 3.32 8.00 -1.26 -1.71 116.55 124.97 1sio n ASP 62 Ca -0.19 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1sio n ASP 62 Cb 0.53 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 1sio n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sio n GLY 63 N -1.52 2.94 3.74 0.44 0.00 -1.26 -4.71 105.19 104.82 1sio n GLY 63 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1sio n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sio s ALA 64 N -1.55 2.27 0.29 4.61 0.00 -0.70 -5.06 121.76 121.63 1sio s ALA 64 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1sio s ALA 64 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1sio s ALA 64 CO 0.00 -1.61 0.33 -1.54 0.00 0.00 0.00 175.76 172.94 1sio s SER 65 N -2.16 0.80 -0.57 0.00 1.04 -1.26 -3.28 113.70 108.27 1sio s SER 65 Ca 0.72 -1.46 -0.26 0.00 0.48 0.00 0.00 55.95 55.42 1sio s SER 65 Cb -0.26 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1sio s SER 65 CO 0.43 -1.10 2.00 0.21 0.98 0.00 0.00 173.24 175.76 1sio s ASN 66 N -3.23 5.08 -0.56 7.02 2.47 -1.26 -4.89 114.94 119.57 1sio s ASN 66 Ca 0.34 0.56 0.05 0.00 0.42 0.00 0.00 52.86 54.23 1sio s ASN 66 Cb 0.02 -2.52 0.18 0.00 -1.45 0.00 0.00 41.25 37.48 1sio s ASN 66 CO 0.19 -2.48 0.44 1.67 -3.72 0.00 0.00 177.10 173.19 1sio n GLN 67 N 9.12 1.08 -2.05 0.43 -0.06 -0.86 -4.86 117.38 120.19 1sio n GLN 67 Ca 0.24 -3.86 -0.39 0.00 -2.00 0.00 0.00 57.00 50.99 1sio n GLN 67 Cb 0.53 -1.97 -0.00 0.00 -4.06 0.00 0.00 30.24 24.73 1sio n GLN 67 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1sio s PRO 68 N -0.82 3.92 0.00 3.69 0.04 -1.26 -3.59 135.00 136.98 1sio s PRO 68 Ca 0.30 2.15 0.24 0.00 0.04 0.00 0.00 61.00 63.72 1sio s PRO 68 Cb 0.01 -2.72 0.30 0.00 0.04 0.00 0.00 34.50 32.13 1sio s PRO 68 CO -0.17 -0.53 1.27 0.25 0.04 0.00 0.00 177.00 177.86 1sio n THR 69 N 0.04 0.00 -0.87 1.26 -2.24 -1.26 -4.88 114.28 106.34 1sio n THR 69 Ca 0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1sio n THR 69 Cb 0.44 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1sio n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sio n GLY 70 N 1.40 0.59 3.43 3.38 0.00 -1.26 -4.99 105.19 107.75 1sio n GLY 70 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1sio n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sio s ASP 71 N -2.53 5.75 0.67 1.61 -1.08 -1.26 -4.95 116.67 114.87 1sio s ASP 71 Ca 0.00 -0.71 0.42 0.00 -0.52 0.00 0.00 52.55 51.74 1sio s ASP 71 Cb 0.00 -2.05 2.29 0.00 -1.46 0.00 0.00 42.92 41.70 1sio s ASP 71 CO 0.00 -0.29 2.30 -0.65 0.52 0.00 0.00 175.17 177.05 1sio h PRO 72 N 8.43 0.00 -0.00 4.34 0.11 -1.91 0.69 132.00 143.65 1sio h PRO 72 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sio h PRO 72 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sio h PRO 72 CO 0.65 0.00 -0.42 0.43 -0.21 0.00 0.00 178.00 178.45 1sio n SER 73 N -3.09 0.67 -0.15 -2.05 7.64 -1.26 -4.20 113.62 111.18 1sio n SER 73 Ca -0.03 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1sio n SER 73 Cb 0.12 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1sio n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sio n GLY 74 N 1.45 1.85 0.32 0.23 0.00 0.23 -4.89 105.19 104.38 1sio n GLY 74 Ca 0.08 -1.89 0.20 0.00 0.00 0.00 0.00 46.02 44.40 1sio n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sio h PRO 75 N 0.00 0.00 0.00 1.61 0.13 -1.91 -1.62 132.00 130.21 1sio h PRO 75 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1sio h PRO 75 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sio h PRO 75 CO 0.00 0.01 -0.03 -0.44 -0.23 0.00 0.00 178.00 177.31 1sio h ASP 76 N 0.00 0.00 -0.43 1.44 3.32 -1.79 -0.80 116.42 118.16 1sio h ASP 76 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1sio h ASP 76 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1sio h ASP 76 CO 0.00 0.03 -0.07 1.23 -1.72 0.00 0.00 179.24 178.71 1sio h GLY 77 N 0.17 0.94 0.53 2.75 0.00 -1.46 -0.59 103.07 105.42 1sio h GLY 77 Ca -0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1sio h GLY 77 CO 0.00 0.64 -0.08 -2.09 0.00 0.00 0.00 176.54 175.02 1sio h GLU 78 N 0.79 0.12 0.24 4.80 4.57 -1.32 -2.07 114.58 121.72 1sio h GLU 78 Ca 0.14 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1sio h GLU 78 Cb 0.57 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1sio h GLU 78 CO 0.03 0.66 -0.18 0.28 -1.18 0.00 0.00 179.01 178.62 1sio h VAL 79 N -0.39 0.61 -0.06 0.32 2.07 -1.32 -1.82 116.25 115.66 1sio h VAL 79 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1sio h VAL 79 Cb 0.65 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sio h VAL 79 CO 0.02 0.00 -0.59 -0.33 0.02 0.00 0.00 177.57 176.69 1sio h GLU 80 N -0.43 0.19 -0.67 1.57 5.08 -1.23 -2.83 114.58 116.25 1sio h GLU 80 Ca -0.01 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1sio h GLU 80 Cb 0.38 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1sio h GLU 80 CO -0.01 0.72 0.42 1.25 -1.00 0.00 0.00 179.01 180.40 1sio h LEU 81 N 0.14 0.69 -0.04 1.33 5.85 -1.18 -1.76 115.31 120.35 1sio h LEU 81 Ca -0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1sio h LEU 81 Cb 1.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1sio h LEU 81 CO 0.09 0.48 -0.02 0.44 -0.34 0.00 0.00 178.44 179.09 1sio h ASP 82 N 0.83 -0.07 -0.35 1.25 3.32 -1.17 -1.43 116.42 118.79 1sio h ASP 82 Ca 0.27 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1sio h ASP 82 Cb 0.01 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1sio h ASP 82 CO -0.10 -0.03 -0.21 0.40 -1.72 0.00 0.00 179.24 177.57 1sio h ILE 83 N -0.02 1.29 -0.35 0.35 2.04 -1.41 -2.29 117.51 117.11 1sio h ILE 83 Ca 0.02 -1.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.46 1sio h ILE 83 Cb 0.05 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1sio h ILE 83 CO -0.05 0.44 -0.05 -0.33 0.00 0.00 0.00 178.15 178.16 1sio h GLU 84 N 0.56 0.65 0.08 2.37 5.08 -1.21 0.59 114.58 122.70 1sio h GLU 84 Ca 0.07 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1sio h GLU 84 Cb 0.77 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1sio h GLU 84 CO 0.06 0.80 -0.04 0.28 -1.00 0.00 0.00 179.01 179.11 1sio h VAL 85 N 0.45 1.20 -0.54 3.13 2.07 -1.32 0.22 116.25 121.46 1sio h VAL 85 Ca 0.09 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1sio h VAL 85 Cb 0.54 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1sio h VAL 85 CO 0.03 0.29 -0.05 0.00 0.02 0.00 0.00 177.57 177.86 1sio h ALA 86 N 0.14 0.73 -0.07 1.67 0.00 -1.48 -3.13 119.26 117.12 1sio h ALA 86 Ca -0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1sio h ALA 86 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sio h ALA 86 CO 0.02 0.59 -0.41 0.78 0.00 0.00 0.00 179.25 180.23 1sio h GLY 87 N 0.86 0.16 2.00 0.00 0.00 0.22 0.79 103.07 107.10 1sio h GLY 87 Ca 0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1sio h GLY 87 CO 0.04 0.13 -0.28 0.00 0.00 0.00 0.00 176.54 176.43 1sio h ALA 88 N 1.45 0.99 0.00 3.60 0.00 -0.55 -2.79 119.26 121.97 1sio h ALA 88 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sio h ALA 88 Cb 0.79 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sio h ALA 88 CO 0.06 0.36 -1.87 1.28 0.00 0.00 0.00 179.25 179.07 1sio n LEU 89 N -3.42 0.00 -3.12 0.00 4.32 -0.91 -4.43 117.00 109.42 1sio n LEU 89 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.76 1sio n LEU 89 Cb 0.47 0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.24 1sio n LEU 89 CO 0.35 0.01 -0.04 0.00 -1.22 0.00 0.00 177.39 176.49 1sio n ALA 90 N -2.17 3.43 0.33 -1.18 0.00 0.23 -4.79 120.51 116.35 1sio n ALA 90 Ca -0.04 -4.13 0.08 0.00 0.00 0.00 0.00 53.44 49.35 1sio n ALA 90 Cb 0.51 -0.83 0.36 0.00 0.00 0.00 0.00 19.45 19.49 1sio n ALA 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sio n PRO 91 N 0.29 0.09 0.12 0.00 -0.04 -1.05 -2.03 135.00 132.36 1sio n PRO 91 Ca 0.28 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1sio n PRO 91 Cb 0.50 -1.69 0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1sio n PRO 91 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1sio h GLY 92 N 1.62 0.00 -1.55 0.55 0.00 -0.25 -3.37 103.07 100.07 1sio h GLY 92 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1sio h GLY 92 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 176.54 176.88 1sio s ALA 93 N -3.29 2.10 -0.19 3.60 0.00 -0.86 -3.89 121.76 119.23 1sio s ALA 93 Ca 0.02 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1sio s ALA 93 Cb 0.10 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1sio s ALA 93 CO 0.75 -1.89 0.19 0.21 0.00 0.00 0.00 175.76 175.02 1sio s LYS 94 N -4.32 4.21 -0.25 0.00 2.20 -0.09 -4.31 119.74 117.19 1sio s LYS 94 Ca 0.68 -0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 56.09 1sio s LYS 94 Cb -0.23 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1sio s LYS 94 CO 0.49 0.27 0.12 -0.06 -0.36 0.00 0.00 175.35 175.81 1sio s PHE 95 N 0.42 3.15 -0.29 4.03 0.40 -0.93 -0.00 117.98 124.76 1sio s PHE 95 Ca 0.11 -0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1sio s PHE 95 Cb -0.12 -2.28 0.02 0.00 0.51 0.00 0.00 43.02 41.16 1sio s PHE 95 CO 0.00 -0.23 0.03 0.00 0.70 0.00 0.00 175.22 175.71 1sio s ALA 96 N 1.55 2.91 -0.36 5.36 0.00 -0.43 0.35 121.76 131.13 1sio s ALA 96 Ca 0.06 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.39 1sio s ALA 96 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1sio s ALA 96 CO 0.06 -0.98 0.19 0.08 0.00 0.00 0.00 175.76 175.11 1sio s VAL 97 N 1.40 4.53 -0.43 0.00 1.01 -0.17 -0.90 120.40 125.83 1sio s VAL 97 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1sio s VAL 97 Cb -0.18 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1sio s VAL 97 CO -0.00 -0.19 0.80 -0.31 0.00 0.00 0.00 175.10 175.40 1sio s TYR 98 N 1.55 3.02 -0.19 5.22 1.51 -0.63 -1.19 117.35 126.64 1sio s TYR 98 Ca 0.02 0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 56.26 1sio s TYR 98 Cb -0.19 -3.62 -0.05 0.00 -0.11 0.00 0.00 41.96 37.99 1sio s TYR 98 CO 0.06 -0.93 0.23 -0.06 -1.11 0.00 0.00 175.55 173.75 1sio s PHE 99 N 3.29 3.42 0.11 2.71 0.40 -0.21 -0.37 117.98 127.32 1sio s PHE 99 Ca 0.31 0.46 0.02 0.00 -0.60 0.00 0.00 56.93 57.12 1sio s PHE 99 Cb -0.12 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1sio s PHE 99 CO 0.21 0.21 -0.05 0.00 0.70 0.00 0.00 175.22 176.29 1sio s ALA 100 N 0.60 1.02 0.64 5.36 0.00 -0.77 -0.48 121.76 128.12 1sio s ALA 100 Ca 0.13 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 1sio s ALA 100 Cb -0.13 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1sio s ALA 100 CO 0.02 -0.26 1.11 -2.14 0.00 0.00 0.00 175.76 174.49 1sio s PRO 101 N -3.86 2.89 -1.28 0.00 0.02 -1.26 -4.15 135.00 127.36 1sio s PRO 101 Ca 0.14 1.39 -0.14 0.00 0.02 0.00 0.00 61.00 62.41 1sio s PRO 101 Cb 0.06 -1.96 0.12 0.00 0.02 0.00 0.00 34.50 32.74 1sio s PRO 101 CO -0.03 -1.18 1.70 -1.71 -0.33 0.00 0.00 177.00 175.45 1sio n ASN 102 N -2.29 4.95 -4.26 2.53 2.85 -1.23 -3.95 115.26 113.87 1sio n ASN 102 Ca 0.10 -2.96 -0.16 0.00 -0.11 0.00 0.00 54.58 51.45 1sio n ASN 102 Cb 0.52 -1.62 -0.10 0.00 1.24 0.00 0.00 39.78 39.81 1sio n ASN 102 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1sio s THR 103 N 2.43 0.41 0.08 -0.44 -4.23 -1.26 -5.01 115.64 107.62 1sio s THR 103 Ca 0.46 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 1sio s THR 103 Cb 0.03 -2.59 -0.15 0.00 1.34 0.00 0.00 72.50 71.13 1sio s THR 103 CO 0.02 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.24 1sio h ASP 104 N 2.42 0.03 -0.19 3.99 3.32 -2.00 0.13 116.42 124.12 1sio h ASP 104 Ca -0.37 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.68 1sio h ASP 104 Cb 1.25 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1sio h ASP 104 CO 0.58 0.06 -0.07 0.00 -1.72 0.00 0.00 179.24 178.08 1sio h ALA 105 N 0.97 0.09 -0.20 3.45 0.00 -1.97 -1.16 119.26 120.44 1sio h ALA 105 Ca 0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1sio h ALA 105 Cb 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1sio h ALA 105 CO -0.00 -0.50 0.00 0.78 0.00 0.00 0.00 179.25 179.53 1sio h GLY 106 N -0.05 0.19 1.03 0.00 0.00 -1.69 0.33 103.07 102.88 1sio h GLY 106 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1sio h GLY 106 CO -0.22 -0.04 0.25 -2.75 0.00 0.00 0.00 176.54 173.79 1sio h PHE 107 N 0.07 1.07 -0.58 5.60 3.57 -0.35 -1.01 116.94 125.32 1sio h PHE 107 Ca 0.09 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1sio h PHE 107 Cb 0.12 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1sio h PHE 107 CO -0.17 0.84 0.20 1.25 -2.23 0.00 0.00 178.31 178.20 1sio h LEU 108 N 0.99 0.82 -0.79 0.59 5.85 -0.70 -2.51 115.31 119.57 1sio h LEU 108 Ca 0.23 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1sio h LEU 108 Cb 0.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1sio h LEU 108 CO -0.01 0.80 -0.54 0.44 -0.34 0.00 0.00 178.44 178.78 1sio h ASP 109 N 0.80 0.19 -0.36 1.25 3.32 0.07 0.13 116.42 121.82 1sio h ASP 109 Ca 0.19 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1sio h ASP 109 Cb 0.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1sio h ASP 109 CO -0.01 0.70 0.04 0.00 -1.72 0.00 0.00 179.24 178.25 1sio h ALA 110 N 1.31 0.48 -0.14 3.45 0.00 -1.04 0.18 119.26 123.50 1sio h ALA 110 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sio h ALA 110 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1sio h ALA 110 CO 0.08 0.20 0.07 0.82 0.00 0.00 0.00 179.25 180.42 1sio h ILE 111 N 0.44 1.12 -0.44 0.00 2.04 -1.06 0.84 117.51 120.44 1sio h ILE 111 Ca 0.11 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 1sio h ILE 111 Cb 0.38 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1sio h ILE 111 CO 0.01 0.11 -0.19 0.71 0.00 0.00 0.00 178.15 178.79 1sio h THR 112 N 0.10 1.27 -0.92 -0.27 1.35 -0.68 -1.31 112.91 112.45 1sio h THR 112 Ca 0.05 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 1sio h THR 112 Cb 0.11 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.62 1sio h THR 112 CO -0.01 0.45 0.53 0.74 -0.25 0.00 0.00 175.52 176.98 1sio h THR 113 N 0.76 1.26 -0.04 6.82 2.02 -0.36 -2.33 112.91 121.04 1sio h THR 113 Ca 0.11 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1sio h THR 113 Cb 0.72 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1sio h THR 113 CO 0.06 0.28 -0.02 0.00 0.37 0.00 0.00 175.52 176.21 1sio h ALA 114 N 1.30 0.06 -0.56 6.16 0.00 -0.41 -1.92 119.26 123.89 1sio h ALA 114 Ca 0.33 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sio h ALA 114 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1sio h ALA 114 CO -0.06 -0.20 0.37 0.82 0.00 0.00 0.00 179.25 180.18 1sio h ILE 115 N -0.32 1.14 -0.08 0.00 2.04 -1.12 -2.86 117.51 116.32 1sio h ILE 115 Ca 0.01 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1sio h ILE 115 Cb 0.46 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1sio h ILE 115 CO 0.01 0.14 0.00 1.41 0.00 0.00 0.00 178.15 179.70 1sio n HIS 116 N -4.45 0.07 -1.50 1.37 8.25 -0.89 -4.87 115.22 113.19 1sio n HIS 116 Ca 0.05 -0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1sio n HIS 116 Cb 0.05 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.08 1sio n HIS 116 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1sio n ASP 117 N 1.10 1.73 0.14 0.41 -0.08 -0.72 -4.81 116.55 114.31 1sio n ASP 117 Ca 0.16 -0.02 0.12 0.00 -1.51 0.00 0.00 54.79 53.54 1sio n ASP 117 Cb 0.54 -1.30 0.48 0.00 2.34 0.00 0.00 41.12 43.18 1sio n ASP 117 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sio h PRO 118 N 15.20 0.00 0.00 -0.67 0.13 -1.92 -0.63 132.00 144.11 1sio h PRO 118 Ca -0.20 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.73 1sio h PRO 118 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1sio h PRO 118 CO 1.17 0.00 -1.41 2.41 -0.23 0.00 0.00 178.00 179.95 1sio n THR 119 N -2.31 1.50 0.08 1.56 -1.04 -1.26 -4.59 114.28 108.22 1sio n THR 119 Ca 0.03 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 61.93 1sio n THR 119 Cb 0.28 -2.14 -0.06 0.00 -1.82 0.00 0.00 70.33 66.59 1sio n THR 119 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1sio h LEU 120 N -1.00 0.04 -3.06 -4.42 3.38 -1.97 -3.48 115.31 104.80 1sio h LEU 120 Ca -0.30 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.16 1sio h LEU 120 Cb 1.15 -0.01 0.05 0.00 0.09 0.00 0.00 40.66 41.93 1sio h LEU 120 CO -0.18 0.95 -0.94 0.29 0.09 0.00 0.00 178.44 178.65 1sio n LYS 121 N -3.46 -1.49 -1.79 1.13 5.02 -0.24 -4.81 118.16 112.52 1sio n LYS 121 Ca -0.01 0.39 -0.41 0.00 -2.02 0.00 0.00 58.31 56.26 1sio n LYS 121 Cb 0.88 -3.97 -0.00 0.00 -0.02 0.00 0.00 35.03 31.91 1sio n LYS 121 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1sio s PRO 122 N -6.30 4.10 0.01 1.97 0.02 -1.26 -4.64 135.00 128.90 1sio s PRO 122 Ca 0.39 2.59 0.22 0.00 0.02 0.00 0.00 61.00 64.22 1sio s PRO 122 Cb -0.15 -2.97 -0.11 0.00 0.02 0.00 0.00 34.50 31.29 1sio s PRO 122 CO 0.88 -0.55 0.89 -1.13 -0.33 0.00 0.00 177.00 176.75 1sio n SER 123 N 0.55 0.62 -3.96 2.53 3.41 -0.30 -4.85 113.62 111.61 1sio n SER 123 Ca 0.01 -0.45 -0.17 0.00 -0.26 0.00 0.00 58.87 58.01 1sio n SER 123 Cb 0.39 1.09 -0.15 0.00 -0.26 0.00 0.00 64.21 65.29 1sio n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sio s VAL 124 N -3.19 0.49 -0.11 -3.33 1.01 -1.23 -0.99 120.40 113.05 1sio s VAL 124 Ca 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1sio s VAL 124 Cb 0.15 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1sio s VAL 124 CO 0.84 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 175.20 1sio s VAL 125 N -0.02 1.82 -0.15 2.92 1.01 0.35 -1.16 120.40 125.17 1sio s VAL 125 Ca 0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1sio s VAL 125 Cb -0.04 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1sio s VAL 125 CO -0.00 0.50 -0.09 -0.55 0.00 0.00 0.00 175.10 174.96 1sio s SER 126 N 0.66 4.24 -0.09 3.32 0.15 0.34 -1.46 113.70 120.85 1sio s SER 126 Ca -0.12 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.26 1sio s SER 126 Cb -0.16 -1.67 0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1sio s SER 126 CO 0.03 0.13 -0.19 -0.63 1.20 0.00 0.00 173.24 173.78 1sio s ILE 127 N 0.57 1.68 -0.18 6.45 1.01 -0.20 -1.83 121.20 128.71 1sio s ILE 127 Ca -0.06 -0.78 0.14 0.00 0.00 0.00 0.00 60.65 59.94 1sio s ILE 127 Cb -0.15 -1.48 0.43 0.00 0.01 0.00 0.00 42.46 41.26 1sio s ILE 127 CO 0.03 0.48 1.20 -1.20 0.00 0.00 0.00 174.94 175.45 1sio n SER 128 N 3.78 1.88 -4.25 3.58 7.64 -1.26 -1.89 113.62 123.10 1sio n SER 128 Ca -0.20 -3.48 -0.23 0.00 1.01 0.00 0.00 58.87 55.97 1sio n SER 128 Cb 0.52 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 1sio n SER 128 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1sio s TRP 129 N -2.67 1.64 0.00 1.43 0.52 -1.26 -4.80 118.94 113.81 1sio s TRP 129 Ca 0.38 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 56.08 1sio s TRP 129 Cb 0.38 -0.92 0.00 0.00 -1.15 0.00 0.00 33.47 31.78 1sio s TRP 129 CO -0.08 0.15 0.00 0.41 0.02 0.00 0.00 176.95 177.45 1sio n GLY 130 N 1.26 2.03 3.59 0.98 0.00 -1.26 -4.57 105.19 107.22 1sio n GLY 130 Ca -0.19 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 1sio n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sio s GLY 131 N -0.36 -0.24 0.31 -0.02 0.00 -0.64 -5.00 107.32 101.38 1sio s GLY 131 Ca 0.00 1.84 -0.28 0.00 0.00 0.00 0.00 44.72 46.28 1sio s GLY 131 CO 0.00 0.71 1.15 -1.05 0.00 0.00 0.00 173.10 173.90 1sio n PRO 132 N 0.15 1.71 0.21 2.90 -0.02 -1.26 -0.59 135.00 138.09 1sio n PRO 132 Ca -0.02 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1sio n PRO 132 Cb 0.59 -2.07 0.60 0.00 -0.02 0.00 0.00 33.50 32.59 1sio n PRO 132 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1sio h GLU 133 N 2.32 0.10 0.00 -0.52 4.11 -1.33 -0.29 114.58 118.97 1sio h GLU 133 Ca -0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1sio h GLU 133 Cb 1.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sio h GLU 133 CO 0.62 0.07 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 1sio n ASP 134 N -4.53 0.00 -0.21 3.06 5.75 -1.26 -3.00 116.55 116.36 1sio n ASP 134 Ca -0.02 0.39 0.14 0.00 -0.01 0.00 0.00 54.79 55.29 1sio n ASP 134 Cb 0.09 -0.46 0.48 0.00 -1.03 0.00 0.00 41.12 40.20 1sio n ASP 134 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1sio n SER 135 N -1.46 0.84 -4.89 -1.12 3.41 -0.12 -4.86 113.62 105.42 1sio n SER 135 Ca 0.07 -0.81 -0.31 0.00 -0.26 0.00 0.00 58.87 57.55 1sio n SER 135 Cb 0.27 0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1sio n SER 135 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1sio s TRP 136 N -2.45 3.45 0.52 7.33 0.52 -1.16 -5.02 118.94 122.12 1sio s TRP 136 Ca 0.27 0.69 -0.19 0.00 0.02 0.00 0.00 56.10 56.89 1sio s TRP 136 Cb 0.20 -2.11 -0.07 0.00 -1.15 0.00 0.00 33.47 30.33 1sio s TRP 136 CO 0.49 0.34 1.06 0.95 0.02 0.00 0.00 176.95 179.81 1sio s THR 137 N -1.76 3.65 0.55 2.01 -4.23 -1.26 -4.89 115.64 109.70 1sio s THR 137 Ca 0.44 0.98 0.23 0.00 -1.18 0.00 0.00 61.69 62.16 1sio s THR 137 Cb -0.12 -3.40 0.33 0.00 1.34 0.00 0.00 72.50 70.66 1sio s THR 137 CO 0.24 -0.27 2.13 0.77 -0.54 0.00 0.00 174.62 176.95 1sio h SER 138 N 1.28 0.00 -0.05 3.99 4.64 -1.96 -1.63 113.55 119.81 1sio h SER 138 Ca -0.49 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 1sio h SER 138 Cb 1.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1sio h SER 138 CO 0.58 0.00 -0.43 0.00 -0.87 0.00 0.00 176.83 176.11 1sio h ALA 139 N 1.90 0.12 0.00 5.18 0.00 -1.98 -1.28 119.26 123.19 1sio h ALA 139 Ca 0.07 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1sio h ALA 139 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sio h ALA 139 CO -0.00 0.26 -0.34 0.00 0.00 0.00 0.00 179.25 179.18 1sio h ALA 140 N 0.39 0.96 -0.11 0.00 0.00 -1.74 -1.36 119.26 117.41 1sio h ALA 140 Ca -0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1sio h ALA 140 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1sio h ALA 140 CO 0.09 0.42 -0.24 0.82 0.00 0.00 0.00 179.25 180.34 1sio h ILE 141 N 0.00 1.38 -0.89 0.00 2.04 -1.30 -2.04 117.51 116.70 1sio h ILE 141 Ca -0.00 -1.52 0.14 0.00 1.00 0.00 0.00 64.86 64.47 1sio h ILE 141 Cb 0.91 2.09 -0.09 0.00 -0.74 0.00 0.00 36.82 38.98 1sio h ILE 141 CO 0.04 0.44 0.49 0.00 0.00 0.00 0.00 178.15 179.13 1sio h ALA 142 N 0.52 1.34 0.09 1.87 0.00 -1.07 -0.35 119.26 121.67 1sio h ALA 142 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.69 1sio h ALA 142 Cb 0.83 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sio h ALA 142 CO 0.05 -0.01 -1.18 0.00 0.00 0.00 0.00 179.25 178.11 1sio h ALA 143 N 1.55 0.07 -0.35 0.00 0.00 -1.13 -2.13 119.26 117.25 1sio h ALA 143 Ca 0.47 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1sio h ALA 143 Cb 0.61 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1sio h ALA 143 CO -0.33 0.73 -0.03 0.52 0.00 0.00 0.00 179.25 180.13 1sio h MET 144 N 0.28 0.64 -0.78 0.00 2.07 -1.01 -1.51 114.93 114.62 1sio h MET 144 Ca -0.16 -0.22 0.06 0.00 -2.07 0.00 0.00 59.70 57.31 1sio h MET 144 Cb 1.85 -0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 31.48 1sio h MET 144 CO 0.22 0.78 0.51 -0.97 1.07 0.00 0.00 176.91 178.52 1sio h ASN 145 N 0.45 0.74 -0.65 1.22 -0.73 -1.11 0.10 115.58 115.59 1sio h ASN 145 Ca 0.10 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.19 1sio h ASN 145 Cb 0.51 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 1sio h ASN 145 CO 0.02 0.47 0.10 -0.09 -0.37 0.00 0.00 177.43 177.57 1sio h ARG 146 N 0.84 1.08 -0.52 6.67 2.43 -0.88 -0.45 114.38 123.54 1sio h ARG 146 Ca 0.34 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1sio h ARG 146 Cb 0.24 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1sio h ARG 146 CO -0.12 1.00 0.05 0.00 -1.51 0.00 0.00 179.97 179.39 1sio h ALA 147 N 1.04 1.12 -0.19 2.80 0.00 0.15 -2.03 119.26 122.13 1sio h ALA 147 Ca 0.20 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1sio h ALA 147 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sio h ALA 147 CO 0.01 0.57 -0.41 0.74 0.00 0.00 0.00 179.25 180.17 1sio h PHE 148 N 0.79 0.53 -0.65 0.00 0.04 -0.61 -2.18 116.94 114.87 1sio h PHE 148 Ca 0.16 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1sio h PHE 148 Cb 0.40 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1sio h PHE 148 CO 0.02 0.79 0.42 1.25 -0.60 0.00 0.00 178.31 180.19 1sio h LEU 149 N 0.37 0.75 -1.41 1.54 5.85 -0.70 -2.35 115.31 119.36 1sio h LEU 149 Ca 0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1sio h LEU 149 Cb 0.87 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1sio h LEU 149 CO 0.07 0.56 0.22 0.44 -0.34 0.00 0.00 178.44 179.40 1sio h ASP 150 N 0.88 0.56 -0.46 1.25 3.32 -0.92 -1.49 116.42 119.55 1sio h ASP 150 Ca 0.24 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1sio h ASP 150 Cb -0.08 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1sio h ASP 150 CO -0.05 0.47 0.29 0.00 -1.72 0.00 0.00 179.24 178.24 1sio h ALA 151 N 1.62 0.58 0.06 3.45 0.00 -0.90 -0.78 119.26 123.29 1sio h ALA 151 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1sio h ALA 151 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1sio h ALA 151 CO -0.02 0.01 -0.31 0.00 0.00 0.00 0.00 179.25 178.93 1sio h ALA 152 N 1.18 -0.49 -0.64 0.00 0.00 -0.88 0.37 119.26 118.79 1sio h ALA 152 Ca 0.17 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1sio h ALA 152 Cb -0.05 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1sio h ALA 152 CO -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 179.25 178.45 1sio h ALA 153 N 0.21 0.72 -0.06 0.00 0.00 -1.03 -1.41 119.26 117.69 1sio h ALA 153 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sio h ALA 153 Cb 0.55 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sio h ALA 153 CO -0.22 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 179.96 1sio n LEU 154 N -5.20 0.43 -0.62 0.00 4.77 -0.32 -4.93 117.00 111.12 1sio n LEU 154 Ca 0.10 -0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1sio n LEU 154 Cb 0.37 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1sio n LEU 154 CO 0.13 0.10 -0.07 0.61 -1.33 0.00 0.00 177.39 176.83 1sio n GLY 155 N 0.79 0.47 3.62 -0.72 0.00 -0.53 -5.04 105.19 103.78 1sio n GLY 155 Ca 0.10 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1sio n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sio s VAL 156 N -2.28 4.83 0.03 1.61 1.01 0.01 -3.42 120.40 122.19 1sio s VAL 156 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1sio s VAL 156 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1sio s VAL 156 CO 0.00 0.43 0.73 -0.89 0.00 0.00 0.00 175.10 175.37 1sio s THR 157 N 0.60 4.78 -0.13 3.92 2.01 -0.16 -4.15 115.64 122.49 1sio s THR 157 Ca 0.04 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1sio s THR 157 Cb -0.13 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1sio s THR 157 CO 0.01 0.37 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 1sio s VAL 158 N -0.05 1.75 -0.02 3.82 1.01 -1.26 0.13 120.40 125.79 1sio s VAL 158 Ca 0.37 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1sio s VAL 158 Cb -0.20 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1sio s VAL 158 CO 0.22 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 174.87 1sio s LEU 159 N 1.07 2.56 -0.04 3.92 1.02 -0.54 -0.29 118.68 126.39 1sio s LEU 159 Ca -0.03 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 1sio s LEU 159 Cb -0.14 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.58 1sio s LEU 159 CO -0.05 0.32 0.11 0.00 0.02 0.00 0.00 176.35 176.74 1sio s ALA 160 N -0.76 -0.25 0.34 4.21 0.00 -0.63 -1.03 121.76 123.64 1sio s ALA 160 Ca 0.12 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1sio s ALA 160 Cb -0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 23.12 22.70 1sio s ALA 160 CO 0.01 -0.06 1.42 0.00 0.00 0.00 0.00 175.76 177.13 1sio n ALA 161 N 3.18 1.88 1.04 0.00 0.00 -0.79 -1.09 120.51 124.72 1sio n ALA 161 Ca -0.14 0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1sio n ALA 161 Cb 0.58 -2.35 0.32 0.00 0.00 0.00 0.00 19.45 18.00 1sio n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sio n ALA 162 N 0.77 2.50 0.00 0.00 0.00 0.03 -4.42 120.51 119.39 1sio n ALA 162 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1sio n ALA 162 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1sio n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sio n GLY 163 N 1.27 3.26 0.03 0.00 0.00 -1.26 -4.12 105.19 104.37 1sio n GLY 163 Ca 0.17 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.42 1sio n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sio n ASP 164 N 0.00 2.05 -2.00 1.61 8.00 -1.25 -0.59 116.55 124.37 1sio n ASP 164 Ca 0.00 -2.35 -0.24 0.00 0.71 0.00 0.00 54.79 52.91 1sio n ASP 164 Cb 0.00 -0.15 0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1sio n ASP 164 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sio n SER 165 N -0.80 5.20 0.00 -2.24 7.64 -0.99 -1.96 113.62 120.47 1sio n SER 165 Ca 0.05 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.17 1sio n SER 165 Cb 0.39 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1sio n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sio n GLY 166 N -0.77 0.94 0.03 0.23 0.00 -0.37 -2.26 105.19 102.99 1sio n GLY 166 Ca 0.46 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1sio n GLY 166 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sio n SER 167 N -3.06 0.21 -0.00 1.61 3.41 0.09 -2.88 113.62 112.99 1sio n SER 167 Ca 0.00 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1sio n SER 167 Cb 0.00 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.25 1sio n SER 167 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sio n THR 168 N -1.71 0.00 -3.37 6.66 -2.24 -1.24 0.10 114.28 112.47 1sio n THR 168 Ca 0.05 -0.04 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1sio n THR 168 Cb 0.28 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1sio n THR 168 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sio n ASP 169 N -1.48 -3.87 0.00 3.42 2.03 -0.96 -1.55 116.55 114.14 1sio n ASP 169 Ca 0.04 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1sio n ASP 169 Cb 0.31 -3.19 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 1sio n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sio n GLY 170 N -1.21 0.68 3.37 0.27 0.00 -1.25 -4.63 105.19 102.44 1sio n GLY 170 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1sio n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sio s GLU 171 N -0.30 3.46 -0.74 1.61 2.02 -0.59 -5.01 118.70 119.15 1sio s GLU 171 Ca 0.00 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 1sio s GLU 171 Cb 0.00 -2.92 0.39 0.00 0.10 0.00 0.00 34.13 31.70 1sio s GLU 171 CO 0.00 -0.01 1.94 0.00 0.02 0.00 0.00 175.26 177.21 1sio n GLN 172 N 4.24 2.81 -0.18 1.61 10.64 -1.26 -4.51 117.38 130.73 1sio n GLN 172 Ca -0.18 -3.53 0.09 0.00 -1.83 0.00 0.00 57.00 51.55 1sio n GLN 172 Cb 0.52 -2.28 0.26 0.00 -0.86 0.00 0.00 30.24 27.88 1sio n GLN 172 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1sio n ASP 173 N -0.67 2.36 0.00 2.61 5.75 -1.26 -4.88 116.55 120.45 1sio n ASP 173 Ca 0.56 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1sio n ASP 173 Cb 0.44 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1sio n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sio n GLY 174 N 1.24 1.13 3.82 6.12 0.00 -1.26 -5.05 105.19 111.19 1sio n GLY 174 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1sio n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sio s LEU 175 N 0.00 3.59 0.43 0.99 1.43 -1.26 -5.09 118.68 118.77 1sio s LEU 175 Ca 0.00 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 1sio s LEU 175 Cb 0.00 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 1sio s LEU 175 CO 0.00 -0.26 0.90 -0.31 0.23 0.00 0.00 176.35 176.91 1sio s TYR 176 N -2.28 3.38 -0.12 0.29 2.02 -1.26 -4.75 117.35 114.63 1sio s TYR 176 Ca 0.38 1.43 -0.22 0.00 -0.37 0.00 0.00 57.07 58.30 1sio s TYR 176 Cb -0.06 -2.73 0.05 0.00 -0.40 0.00 0.00 41.96 38.82 1sio s TYR 176 CO 0.25 -0.14 0.53 -1.01 -1.57 0.00 0.00 175.55 173.61 1sio s HIS 177 N -2.29 -0.53 0.18 2.71 3.76 0.11 -4.94 115.29 114.30 1sio s HIS 177 Ca 0.58 1.11 0.06 0.00 -0.15 0.00 0.00 55.06 56.66 1sio s HIS 177 Cb -0.10 0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.79 1sio s HIS 177 CO 0.21 -0.40 0.07 0.14 -0.85 0.00 0.00 174.74 173.91 1sio s VAL 178 N -0.50 4.11 0.23 -0.90 -7.23 -1.26 -4.05 120.40 110.80 1sio s VAL 178 Ca -0.06 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 1sio s VAL 178 Cb -0.03 -3.10 -0.07 0.00 0.56 0.00 0.00 36.38 33.74 1sio s VAL 178 CO 0.04 -0.13 0.58 -0.62 -0.31 0.00 0.00 175.10 174.66 1sio s ASP 179 N -3.08 6.67 -0.06 4.85 2.15 -1.26 -0.96 116.67 124.98 1sio s ASP 179 Ca 0.29 0.99 0.05 0.00 0.43 0.00 0.00 52.55 54.32 1sio s ASP 179 Cb -0.09 -2.25 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1sio s ASP 179 CO 0.21 -0.07 -0.21 0.12 -0.17 0.00 0.00 175.17 175.05 1sio s PHE 180 N -1.80 2.52 -2.06 -5.34 5.36 0.24 -0.67 117.98 116.23 1sio s PHE 180 Ca 0.47 -0.54 0.29 0.00 -0.96 0.00 0.00 56.93 56.20 1sio s PHE 180 Cb -0.11 -1.62 1.27 0.00 -0.34 0.00 0.00 43.02 42.22 1sio s PHE 180 CO 0.20 -0.09 1.87 -0.35 -1.46 0.00 0.00 175.22 175.39 1sio n PRO 181 N 2.78 1.15 -0.29 10.12 -0.04 -1.26 -1.63 135.00 145.83 1sio n PRO 181 Ca -0.17 -0.48 0.22 0.00 -0.04 0.00 0.00 63.50 63.02 1sio n PRO 181 Cb 0.52 -1.49 0.52 0.00 -0.04 0.00 0.00 33.50 33.01 1sio n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sio h ALA 182 N 3.99 2.26 0.00 0.55 0.00 -1.76 -0.66 119.26 123.65 1sio h ALA 182 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sio h ALA 182 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sio h ALA 182 CO 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.63 1sio h ALA 183 N 1.60 1.00 -2.95 0.00 0.00 -1.25 -3.41 119.26 114.25 1sio h ALA 183 Ca 0.54 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.91 1sio h ALA 183 Cb 1.41 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.31 1sio h ALA 183 CO -0.23 0.00 0.73 0.45 0.00 0.00 0.00 179.25 180.20 1sio s SER 184 N -4.56 6.17 0.18 0.00 0.15 -0.26 -4.86 113.70 110.51 1sio s SER 184 Ca 0.02 2.97 0.24 0.00 0.70 0.00 0.00 55.95 59.87 1sio s SER 184 Cb 0.09 -2.66 0.91 0.00 -1.71 0.00 0.00 66.02 62.65 1sio s SER 184 CO 0.38 -0.98 1.73 -0.81 1.20 0.00 0.00 173.24 174.77 1sio n PRO 185 N 0.19 0.17 -0.10 5.44 -0.04 -1.26 -2.87 135.00 136.53 1sio n PRO 185 Ca 0.03 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1sio n PRO 185 Cb 0.41 -1.76 0.31 0.00 -0.04 0.00 0.00 33.50 32.42 1sio n PRO 185 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sio n TYR 186 N -2.07 0.27 -4.70 0.54 4.01 -1.26 -4.88 117.16 109.06 1sio n TYR 186 Ca 0.04 -0.13 -0.33 0.00 -0.16 0.00 0.00 57.90 57.32 1sio n TYR 186 Cb 0.31 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.22 1sio n TYR 186 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sio s VAL 187 N -1.73 3.35 -0.64 -0.72 1.01 -1.14 -4.68 120.40 115.85 1sio s VAL 187 Ca 0.34 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1sio s VAL 187 Cb 0.20 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1sio s VAL 187 CO 0.29 0.53 1.06 -0.22 0.00 0.00 0.00 175.10 176.75 1sio s LEU 188 N -0.96 3.92 0.02 3.92 2.96 0.61 -4.88 118.68 124.26 1sio s LEU 188 Ca 0.13 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.15 1sio s LEU 188 Cb -0.11 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1sio s LEU 188 CO 0.03 -1.49 1.10 0.00 -1.32 0.00 0.00 176.35 174.67 1sio s ALA 189 N 4.53 3.31 -0.25 5.97 0.00 -1.26 -1.61 121.76 132.44 1sio s ALA 189 Ca 0.29 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 1sio s ALA 189 Cb -0.13 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1sio s ALA 189 CO 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 175.76 175.44 1sio n GLY 191 N 4.60 1.19 3.11 0.00 0.00 0.18 -0.79 105.19 113.49 1sio n GLY 191 Ca -0.16 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 1sio n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sio s GLY 192 N -4.29 0.70 0.42 -0.02 0.00 -1.26 -1.61 107.32 101.26 1sio s GLY 192 Ca 0.49 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.50 1sio s GLY 192 CO 0.32 -0.72 0.08 -0.51 0.00 0.00 0.00 173.10 172.27 1sio s THR 193 N -0.80 0.92 -0.30 0.90 -4.23 0.38 -1.59 115.64 110.92 1sio s THR 193 Ca 0.01 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 1sio s THR 193 Cb -0.07 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1sio s THR 193 CO 0.01 0.00 0.04 -0.60 -0.54 0.00 0.00 174.62 173.53 1sio s ARG 194 N -3.78 2.76 -0.18 3.99 3.52 0.28 -0.07 118.95 125.47 1sio s ARG 194 Ca 0.22 -1.06 -0.09 0.00 -0.13 0.00 0.00 55.73 54.67 1sio s ARG 194 Cb 0.04 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1sio s ARG 194 CO 0.12 -0.54 0.11 -1.17 -0.81 0.00 0.00 175.30 173.02 1sio s LEU 195 N 1.38 4.14 -0.29 -0.88 2.96 -1.26 -1.34 118.68 123.39 1sio s LEU 195 Ca -0.01 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1sio s LEU 195 Cb -0.18 -2.05 0.08 0.00 0.50 0.00 0.00 46.19 44.54 1sio s LEU 195 CO 0.00 0.23 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.54 1sio s VAL 196 N 0.04 2.05 -0.15 1.68 1.01 -0.22 -4.90 120.40 119.91 1sio s VAL 196 Ca 0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 1sio s VAL 196 Cb -0.11 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1sio s VAL 196 CO -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 175.10 174.79 1sio s ALA 197 N 1.09 3.07 -0.05 5.51 0.00 -1.26 -0.54 121.76 129.59 1sio s ALA 197 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1sio s ALA 197 Cb -0.19 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.36 1sio s ALA 197 CO -0.07 0.24 0.11 0.45 0.00 0.00 0.00 175.76 176.49 1sio s SER 198 N 0.27 -0.09 -1.46 0.00 0.15 -0.49 -4.88 113.70 107.20 1sio s SER 198 Ca -0.02 0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 1sio s SER 198 Cb -0.14 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1sio s SER 198 CO 0.03 -0.09 0.54 0.61 1.20 0.00 0.00 173.24 175.52 1sio n GLY 199 N 3.61 -0.51 2.30 9.45 0.00 -1.26 -1.40 105.19 117.38 1sio n GLY 199 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1sio n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sio n GLY 200 N -1.38 0.57 3.38 -0.02 0.00 -1.26 -5.02 105.19 101.47 1sio n GLY 200 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1sio n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sio s ARG 201 N -0.12 1.39 -0.46 1.61 0.52 -0.49 -4.10 118.95 117.29 1sio s ARG 201 Ca 0.00 -1.37 -0.29 0.00 -0.52 0.00 0.00 55.73 53.55 1sio s ARG 201 Cb 0.00 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.70 1sio s ARG 201 CO 0.00 0.41 1.25 0.42 0.02 0.00 0.00 175.30 177.40 1sio s ILE 202 N -1.27 4.07 0.05 1.52 1.01 -1.26 -1.39 121.20 123.93 1sio s ILE 202 Ca 0.15 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1sio s ILE 202 Cb -0.09 -4.47 -0.24 0.00 0.01 0.00 0.00 42.46 37.67 1sio s ILE 202 CO 0.07 -0.95 1.02 0.00 0.00 0.00 0.00 174.94 175.08 1sio h ALA 203 N 9.83 0.37 -2.01 9.38 0.00 -1.11 -3.48 119.26 132.24 1sio h ALA 203 Ca -0.25 -1.07 -0.06 0.00 0.00 0.00 0.00 54.91 53.54 1sio h ALA 203 Cb 1.08 0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 1sio h ALA 203 CO 1.12 1.24 0.17 -1.14 0.00 0.00 0.00 179.25 180.63 1sio s GLN 204 N -2.65 0.99 -0.26 0.00 0.74 -0.78 -5.00 119.66 112.70 1sio s GLN 204 Ca -0.04 0.46 -0.07 0.00 0.05 0.00 0.00 55.36 55.77 1sio s GLN 204 Cb 0.08 0.47 0.13 0.00 1.10 0.00 0.00 33.01 34.79 1sio s GLN 204 CO 0.84 -0.26 0.54 -2.00 -0.55 0.00 0.00 175.29 173.85 1sio s GLU 205 N -0.75 0.47 0.30 1.67 2.12 -1.26 -1.06 118.70 120.20 1sio s GLU 205 Ca -0.08 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.44 1sio s GLU 205 Cb -0.01 0.51 -0.05 0.00 0.26 0.00 0.00 34.13 34.84 1sio s GLU 205 CO 0.07 -0.32 0.09 0.95 -0.54 0.00 0.00 175.26 175.51 1sio s THR 206 N 2.76 0.82 0.28 -1.70 -4.23 -0.45 -4.63 115.64 108.49 1sio s THR 206 Ca 0.01 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.22 1sio s THR 206 Cb -0.13 -2.68 -0.11 0.00 1.34 0.00 0.00 72.50 70.92 1sio s THR 206 CO -0.17 0.00 1.58 -0.69 -0.54 0.00 0.00 174.62 174.80 1sio s VAL 207 N -3.51 2.13 -0.12 2.29 1.01 -0.81 -0.55 120.40 120.84 1sio s VAL 207 Ca 0.36 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 1sio s VAL 207 Cb 0.08 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1sio s VAL 207 CO 0.15 0.02 1.50 0.86 0.00 0.00 0.00 175.10 177.62 1sio s TRP 208 N 0.04 2.32 -0.29 5.22 -0.00 -0.62 -4.47 118.94 121.14 1sio s TRP 208 Ca 0.63 0.54 0.04 0.00 -0.00 0.00 0.00 56.10 57.31 1sio s TRP 208 Cb -0.47 -3.77 0.19 0.00 -0.00 0.00 0.00 33.47 29.41 1sio s TRP 208 CO 0.47 -2.92 0.55 1.21 -0.00 0.00 0.00 176.95 176.26 1sio s ASN 209 N 2.93 -1.17 -0.32 5.86 3.84 -1.26 -1.56 114.94 123.25 1sio s ASN 209 Ca 0.66 0.23 0.09 0.00 0.21 0.00 0.00 52.86 54.05 1sio s ASN 209 Cb -0.28 1.87 0.58 0.00 -0.55 0.00 0.00 41.25 42.88 1sio s ASN 209 CO 0.24 -0.30 1.62 0.47 -2.79 0.00 0.00 177.10 176.34 1sio n ASP 210 N 5.41 3.25 0.00 -4.21 8.00 0.11 -4.98 116.55 124.13 1sio n ASP 210 Ca 0.03 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.94 1sio n ASP 210 Cb 0.52 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1sio n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sio n GLY 211 N -0.95 -2.00 0.49 0.44 0.00 -1.25 -2.34 105.19 99.58 1sio n GLY 211 Ca 0.40 -1.51 0.35 0.00 0.00 0.00 0.00 46.02 45.27 1sio n GLY 211 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sio h PRO 212 N 0.00 0.13 0.00 1.61 0.11 -1.89 -1.49 132.00 130.46 1sio h PRO 212 Ca 0.00 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1sio h PRO 212 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1sio h PRO 212 CO 0.00 0.08 -1.02 -0.44 -0.21 0.00 0.00 178.00 176.42 1sio h ASP 213 N 0.13 0.00 -0.01 -2.05 3.32 -1.95 -3.37 116.42 112.49 1sio h ASP 213 Ca 0.75 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.80 1sio h ASP 213 Cb 2.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.99 1sio h ASP 213 CO -0.30 0.36 -0.13 0.61 -1.72 0.00 0.00 179.24 178.06 1sio n GLY 214 N 1.28 -0.27 0.00 2.75 0.00 -0.82 -5.11 105.19 103.02 1sio n GLY 214 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1sio n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sio n GLY 215 N 0.75 -0.21 3.27 -0.02 0.00 -0.63 -4.68 105.19 103.67 1sio n GLY 215 Ca 0.04 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1sio n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sio s ALA 216 N -2.77 -0.18 0.39 4.61 0.00 -0.83 0.10 121.76 123.09 1sio s ALA 216 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 1sio s ALA 216 Cb 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 23.12 23.68 1sio s ALA 216 CO 0.00 -0.58 1.29 -0.08 0.00 0.00 0.00 175.76 176.40 1sio s THR 217 N -3.90 2.68 0.70 0.00 -1.32 -0.60 -1.24 115.64 111.96 1sio s THR 217 Ca 0.10 0.61 -0.14 0.00 -1.21 0.00 0.00 61.69 61.05 1sio s THR 217 Cb 0.04 -3.36 0.02 0.00 -1.51 0.00 0.00 72.50 67.69 1sio s THR 217 CO -0.07 0.10 1.13 -0.83 -2.21 0.00 0.00 174.62 172.74 1sio s GLY 218 N -0.74 2.11 0.00 6.08 0.00 0.24 -3.32 107.32 111.70 1sio s GLY 218 Ca 0.56 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.86 1sio s GLY 218 CO 0.49 0.95 0.00 0.61 0.00 0.00 0.00 173.10 175.14 1sio n GLY 219 N -0.39 2.76 0.00 0.20 0.00 -1.26 -4.62 105.19 101.88 1sio n GLY 219 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1sio n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sio n GLY 220 N -0.73 -0.10 2.94 -0.02 0.00 0.14 -4.48 105.19 102.93 1sio n GLY 220 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1sio n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sio s VAL 221 N -4.00 0.95 0.42 1.61 1.01 -1.26 -1.06 120.40 118.06 1sio s VAL 221 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 1sio s VAL 221 Cb 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 1sio s VAL 221 CO 0.00 0.33 1.32 -0.55 0.00 0.00 0.00 175.10 176.20 1sio s SER 222 N 1.20 6.21 0.00 3.32 0.15 -0.17 -4.70 113.70 119.72 1sio s SER 222 Ca -0.05 2.68 0.17 0.00 0.70 0.00 0.00 55.95 59.46 1sio s SER 222 Cb -0.14 -2.64 0.27 0.00 -1.71 0.00 0.00 66.02 61.80 1sio s SER 222 CO -0.02 -0.92 1.19 0.54 1.20 0.00 0.00 173.24 175.23 1sio n ARG 223 N 0.03 1.95 -0.09 5.44 1.74 -1.26 -4.02 116.66 120.45 1sio n ARG 223 Ca 0.04 -1.86 -0.12 0.00 -0.77 0.00 0.00 57.85 55.15 1sio n ARG 223 Cb 0.43 -1.37 -0.09 0.00 -1.02 0.00 0.00 32.46 30.42 1sio n ARG 223 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sio n ILE 224 N 1.03 1.05 -4.36 0.55 5.41 -1.26 -5.00 119.36 116.77 1sio n ILE 224 Ca 0.13 -0.43 -0.34 0.00 1.00 0.00 0.00 62.75 63.11 1sio n ILE 224 Cb 0.47 -1.08 -0.11 0.00 -0.71 0.00 0.00 39.64 38.21 1sio n ILE 224 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1sio s PHE 225 N -2.37 3.07 0.92 1.39 0.08 -1.26 -5.05 117.98 114.76 1sio s PHE 225 Ca -0.22 -0.17 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 1sio s PHE 225 Cb 0.06 -1.94 0.14 0.00 -0.57 0.00 0.00 43.02 40.71 1sio s PHE 225 CO 0.45 0.07 1.10 -1.25 -0.10 0.00 0.00 175.22 175.49 1sio s PRO 226 N 0.16 1.05 0.01 0.24 0.04 -1.26 -0.76 135.00 134.48 1sio s PRO 226 Ca -0.00 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.32 1sio s PRO 226 Cb -0.13 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1sio s PRO 226 CO 0.02 -2.32 1.95 -0.11 0.04 0.00 0.00 177.00 176.58 1sio n LEU 227 N -3.91 3.99 -4.81 -3.56 7.94 -1.25 -3.06 117.00 112.34 1sio n LEU 227 Ca 0.06 0.92 -0.33 0.00 -1.11 0.00 0.00 56.01 55.56 1sio n LEU 227 Cb 0.57 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 43.01 1sio n LEU 227 CO 0.57 0.14 0.70 -2.16 -1.11 0.00 0.00 177.39 175.53 1sio s PRO 228 N 4.27 3.66 0.56 1.96 0.04 -1.26 -4.90 135.00 139.33 1sio s PRO 228 Ca 0.89 1.16 0.25 0.00 0.04 0.00 0.00 61.00 63.34 1sio s PRO 228 Cb -0.50 -2.09 1.52 0.00 0.04 0.00 0.00 34.50 33.47 1sio s PRO 228 CO 0.44 -0.52 2.11 0.00 0.04 0.00 0.00 177.00 179.07 1sio h ALA 229 N 0.92 1.98 0.00 8.56 0.00 -2.02 0.11 119.26 128.81 1sio h ALA 229 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sio h ALA 229 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sio h ALA 229 CO 0.59 -0.26 0.00 -2.67 0.00 0.00 0.00 179.25 176.91 1sio n TRP 230 N -4.13 0.00 -0.58 0.00 4.27 -1.26 -1.65 117.44 114.08 1sio n TRP 230 Ca 0.02 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.70 1sio n TRP 230 Cb 0.29 -0.06 0.20 0.00 -1.36 0.00 0.00 31.31 30.38 1sio n TRP 230 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1sio n GLN 231 N -1.06 2.89 0.31 -2.67 6.02 0.02 -4.57 117.38 118.32 1sio n GLN 231 Ca 0.19 -2.43 0.20 0.00 -0.01 0.00 0.00 57.00 54.94 1sio n GLN 231 Cb 0.12 -1.55 1.00 0.00 1.02 0.00 0.00 30.24 30.83 1sio n GLN 231 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1sio h GLU 232 N 1.84 0.00 -0.16 -1.09 4.39 -1.33 -2.29 114.58 115.94 1sio h GLU 232 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sio h GLU 232 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1sio h GLU 232 CO 0.11 0.01 0.00 0.72 -1.16 0.00 0.00 179.01 178.69 1sio n HIS 233 N -3.18 0.37 1.04 4.33 8.25 -1.26 -4.53 115.22 120.24 1sio n HIS 233 Ca -0.02 -0.70 0.12 0.00 -0.26 0.00 0.00 57.72 56.86 1sio n HIS 233 Cb 0.16 -0.13 0.33 0.00 1.12 0.00 0.00 29.99 31.46 1sio n HIS 233 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sio n ALA 234 N -0.41 2.50 -3.87 -1.41 0.00 -0.86 -4.95 120.51 111.51 1sio n ALA 234 Ca 0.12 -0.64 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 1sio n ALA 234 Cb 0.55 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 1sio n ALA 234 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sio n ASN 235 N 0.73 -0.83 -4.71 0.00 3.02 -1.26 -4.44 115.26 107.77 1sio n ASN 235 Ca 0.17 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 1sio n ASN 235 Cb 0.44 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.25 1sio n ASN 235 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sio s VAL 236 N -3.86 4.05 0.84 2.41 1.01 -1.26 -4.98 120.40 118.61 1sio s VAL 236 Ca 0.03 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 1sio s VAL 236 Cb -0.01 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.52 1sio s VAL 236 CO 0.87 0.11 1.11 -2.16 0.00 0.00 0.00 175.10 175.03 1sio s PRO 237 N 1.08 1.76 1.02 2.72 0.04 -1.26 -5.01 135.00 135.35 1sio s PRO 237 Ca 0.59 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 1sio s PRO 237 Cb -0.29 -1.89 0.20 0.00 0.04 0.00 0.00 34.50 32.56 1sio s PRO 237 CO 0.29 -1.82 1.08 -1.25 0.04 0.00 0.00 177.00 175.34 1sio s PRO 238 N -5.21 0.27 0.59 0.56 0.04 -1.26 -4.61 135.00 125.37 1sio s PRO 238 Ca 0.62 0.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.07 1sio s PRO 238 Cb -0.14 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1sio s PRO 238 CO 0.54 -2.86 1.30 0.45 0.04 0.00 0.00 177.00 176.46 1sio n SER 239 N -4.28 2.27 0.07 6.66 2.88 -0.86 -4.89 113.62 115.48 1sio n SER 239 Ca 0.05 0.91 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1sio n SER 239 Cb 0.56 -1.55 0.46 0.00 -0.75 0.00 0.00 64.21 62.94 1sio n SER 239 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sio n ALA 240 N -1.42 2.31 -1.77 -1.46 0.00 -1.26 -4.62 120.51 112.29 1sio n ALA 240 Ca 0.13 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1sio n ALA 240 Cb 0.46 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1sio n ALA 240 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1sio s ASN 241 N -4.08 6.59 0.34 0.00 0.01 -1.26 -4.93 114.94 111.60 1sio s ASN 241 Ca 0.12 2.82 -0.29 0.00 -0.71 0.00 0.00 52.86 54.80 1sio s ASN 241 Cb 0.14 -2.66 -0.11 0.00 0.41 0.00 0.00 41.25 39.04 1sio s ASN 241 CO 0.58 -0.68 1.52 -2.84 -1.51 0.00 0.00 177.10 174.18 1sio s PRO 242 N -1.93 4.12 0.00 -0.60 0.02 -1.26 -0.26 135.00 135.09 1sio s PRO 242 Ca 0.51 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.09 1sio s PRO 242 Cb -0.42 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1sio s PRO 242 CO 0.56 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 1sio n GLY 243 N 1.19 2.93 3.86 0.52 0.00 -1.26 -4.99 105.19 107.45 1sio n GLY 243 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1sio n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sio s ALA 244 N -2.32 3.17 0.00 4.61 0.00 0.65 -5.04 121.76 122.83 1sio s ALA 244 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1sio s ALA 244 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1sio s ALA 244 CO 0.00 -0.30 0.00 -1.13 0.00 0.00 0.00 175.76 174.33 1sio n SER 245 N -1.85 1.38 -4.77 0.00 3.41 -1.26 -4.54 113.62 105.99 1sio n SER 245 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 1sio n SER 245 Cb 0.54 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1sio n SER 245 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sio s SER 246 N 0.47 5.35 0.23 4.04 1.04 -1.26 -2.03 113.70 121.55 1sio s SER 246 Ca 0.00 2.15 -0.22 0.00 0.48 0.00 0.00 55.95 58.36 1sio s SER 246 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.58 1sio s SER 246 CO 0.00 -1.47 0.81 -0.83 0.98 0.00 0.00 173.24 172.73 1sio s GLY 247 N -2.05 -0.13 -0.03 7.32 0.00 -1.26 -4.44 107.32 106.73 1sio s GLY 247 Ca 0.71 -0.16 -0.33 0.00 0.00 0.00 0.00 44.72 44.94 1sio s GLY 247 CO 0.34 -0.04 1.87 -2.13 0.00 0.00 0.00 173.10 173.14 1sio n ARG 248 N -0.47 2.34 -3.03 2.90 0.00 0.06 -3.94 116.66 114.52 1sio n ARG 248 Ca -0.05 0.86 -0.39 0.00 -0.00 0.00 0.00 57.85 58.26 1sio n ARG 248 Cb 0.60 -2.72 -0.05 0.00 0.00 0.00 0.00 32.46 30.28 1sio n ARG 248 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1sio s GLY 249 N 3.73 2.80 -0.08 5.14 0.00 -1.26 -1.00 107.32 116.65 1sio s GLY 249 Ca 0.90 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.90 1sio s GLY 249 CO 0.48 0.93 -0.14 0.14 0.00 0.00 0.00 173.10 174.51 1sio s VAL 250 N -0.48 3.02 0.00 1.40 1.01 -0.22 -4.64 120.40 120.49 1sio s VAL 250 Ca 0.36 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1sio s VAL 250 Cb -0.21 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1sio s VAL 250 CO 0.23 0.57 0.00 -0.81 0.00 0.00 0.00 175.10 175.09 1sio n PRO 251 N 2.75 1.29 -0.09 2.72 -0.04 -1.26 -0.68 135.00 139.68 1sio n PRO 251 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 1sio n PRO 251 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 1sio n PRO 251 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sio n ASP 252 N -2.16 1.74 -4.14 3.54 8.00 -0.26 -3.81 116.55 119.46 1sio n ASP 252 Ca 0.00 -0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 1sio n ASP 252 Cb 0.00 0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 1sio n ASP 252 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sio s LEU 253 N -5.72 2.08 0.07 0.64 1.43 -0.95 -1.36 118.68 114.87 1sio s LEU 253 Ca -0.18 -1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 51.73 1sio s LEU 253 Cb 0.06 0.21 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1sio s LEU 253 CO 0.56 -0.66 0.11 0.00 0.23 0.00 0.00 176.35 176.60 1sio s ALA 254 N -3.95 0.03 0.24 4.21 0.00 0.36 -0.64 121.76 122.00 1sio s ALA 254 Ca 0.18 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1sio s ALA 254 Cb 0.07 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1sio s ALA 254 CO -0.02 -0.45 0.51 0.20 0.00 0.00 0.00 175.76 175.99 1sio s GLY 255 N -2.84 0.33 -0.19 0.00 0.00 -0.63 -3.32 107.32 100.67 1sio s GLY 255 Ca 0.05 -0.68 -0.39 0.00 0.00 0.00 0.00 44.72 43.69 1sio s GLY 255 CO -0.10 -0.50 1.64 -2.01 0.00 0.00 0.00 173.10 172.13 1sio n ASN 256 N -0.37 2.19 0.00 1.64 5.15 -1.26 -0.47 115.26 122.14 1sio n ASN 256 Ca -0.04 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 1sio n ASN 256 Cb 0.62 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 1sio n ASN 256 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sio n ALA 257 N 4.67 0.00 -1.86 5.20 0.00 0.90 -4.70 120.51 124.72 1sio n ALA 257 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 1sio n ALA 257 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1sio n ALA 257 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sio s ASP 258 N 0.00 6.28 0.58 0.00 -1.08 -0.53 0.32 116.67 122.23 1sio s ASP 258 Ca 0.00 2.12 0.27 0.00 -0.52 0.00 0.00 52.55 54.42 1sio s ASP 258 Cb 0.00 -2.53 1.64 0.00 -1.46 0.00 0.00 42.92 40.57 1sio s ASP 258 CO 0.00 -1.26 2.15 -0.65 0.52 0.00 0.00 175.17 175.92 1sio h PRO 259 N 11.28 0.00 0.00 4.34 0.11 -1.89 0.19 132.00 146.03 1sio h PRO 259 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1sio h PRO 259 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sio h PRO 259 CO 0.97 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1sio n ALA 260 N -2.38 1.85 -2.58 -0.75 0.00 -1.26 -2.07 120.51 113.32 1sio n ALA 260 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1sio n ALA 260 Cb 0.24 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.45 1sio n ALA 260 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sio n THR 261 N -1.34 1.58 -0.98 0.00 -2.24 0.60 -0.81 114.28 111.09 1sio n THR 261 Ca 0.07 -3.54 -0.04 0.00 -2.27 0.00 0.00 64.05 58.27 1sio n THR 261 Cb 0.14 0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1sio n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sio n GLY 262 N -0.41 -1.54 3.73 3.38 0.00 -0.80 -4.68 105.19 104.88 1sio n GLY 262 Ca 0.19 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1sio n GLY 262 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sio s TYR 263 N -1.37 3.43 -0.14 1.61 1.51 0.08 -1.11 117.35 121.36 1sio s TYR 263 Ca 0.10 0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 56.29 1sio s TYR 263 Cb -0.00 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 1sio s TYR 263 CO 0.07 0.29 1.12 -1.21 -1.11 0.00 0.00 175.55 174.72 1sio s GLU 264 N 0.35 4.32 0.23 -0.62 2.02 0.59 -1.66 118.70 123.93 1sio s GLU 264 Ca 0.11 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.62 1sio s GLU 264 Cb -0.12 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 1sio s GLU 264 CO -0.00 -0.52 0.12 0.14 0.02 0.00 0.00 175.26 175.02 1sio s VAL 265 N 2.70 0.23 -0.25 2.63 -7.23 0.18 -4.69 120.40 113.98 1sio s VAL 265 Ca 0.51 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1sio s VAL 265 Cb -0.20 -2.55 0.06 0.00 0.56 0.00 0.00 36.38 34.25 1sio s VAL 265 CO 0.15 0.00 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.15 1sio s VAL 266 N -3.96 2.05 -0.26 1.32 1.01 -1.26 -0.53 120.40 118.76 1sio s VAL 266 Ca 0.38 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1sio s VAL 266 Cb 0.07 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1sio s VAL 266 CO 0.13 -0.01 -0.03 -0.63 0.00 0.00 0.00 175.10 174.56 1sio s ILE 267 N 1.16 3.13 -1.58 2.22 -1.09 -0.00 -4.59 121.20 120.45 1sio s ILE 267 Ca -0.08 -0.96 -0.16 0.00 -2.23 0.00 0.00 60.65 57.22 1sio s ILE 267 Cb -0.19 -2.60 0.13 0.00 -1.58 0.00 0.00 42.46 38.21 1sio s ILE 267 CO -0.06 0.16 0.76 0.47 -1.23 0.00 0.00 174.94 175.05 1sio n ASP 268 N 4.71 -3.69 0.00 3.58 8.00 -1.26 -0.85 116.55 127.04 1sio n ASP 268 Ca -0.16 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1sio n ASP 268 Cb 0.47 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 1sio n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sio n GLY 269 N -1.39 1.24 3.66 0.44 0.00 -1.26 -4.92 105.19 102.97 1sio n GLY 269 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1sio n GLY 269 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sio s GLU 270 N -0.56 3.67 0.15 1.61 -1.05 -0.03 -5.06 118.70 117.43 1sio s GLU 270 Ca 0.00 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.18 1sio s GLU 270 Cb 0.00 -3.09 -0.07 0.00 -0.44 0.00 0.00 34.13 30.53 1sio s GLU 270 CO 0.00 0.43 1.05 0.00 0.95 0.00 0.00 175.26 177.69 1sio s ALA 271 N -0.09 3.32 0.31 -0.84 0.00 -1.26 -0.82 121.76 122.38 1sio s ALA 271 Ca 0.06 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1sio s ALA 271 Cb -0.12 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1sio s ALA 271 CO 0.01 -0.14 0.65 -0.08 0.00 0.00 0.00 175.76 176.21 1sio s THR 272 N -0.14 0.00 -0.16 0.00 -1.32 0.31 -4.96 115.64 109.37 1sio s THR 272 Ca 0.48 -1.18 0.02 0.00 -1.21 0.00 0.00 61.69 59.81 1sio s THR 272 Cb -0.27 -2.37 0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1sio s THR 272 CO 0.33 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.85 1sio s VAL 273 N -3.40 1.99 0.09 5.08 1.01 -1.26 -0.64 120.40 123.26 1sio s VAL 273 Ca 0.17 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1sio s VAL 273 Cb -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1sio s VAL 273 CO 0.10 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.91 1sio s ILE 274 N 1.11 1.59 0.00 2.22 1.01 -0.66 -4.87 121.20 121.59 1sio s ILE 274 Ca -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1sio s ILE 274 Cb -0.14 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1sio s ILE 274 CO -0.08 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1sio n GLY 275 N 1.27 5.38 0.00 6.18 0.00 -1.26 -0.74 105.19 116.02 1sio n GLY 275 Ca -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1sio n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sio n GLY 276 N 3.05 1.04 0.13 -0.02 0.00 0.15 -4.46 105.19 105.08 1sio n GLY 276 Ca 0.00 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.44 1sio n GLY 276 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sio n THR 277 N 1.15 1.13 -0.15 2.61 -2.24 -1.26 -2.10 114.28 113.41 1sio n THR 277 Ca 0.00 0.59 0.28 0.00 -2.27 0.00 0.00 64.05 62.64 1sio n THR 277 Cb 0.00 -1.57 0.72 0.00 -2.10 0.00 0.00 70.33 67.39 1sio n THR 277 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sio h SER 278 N 0.00 0.00 1.08 3.42 0.02 -1.87 -0.93 113.55 115.27 1sio h SER 278 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sio h SER 278 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1sio h SER 278 CO 0.00 0.00 -0.76 0.00 -1.14 0.00 0.00 176.83 174.93 1sio h ALA 279 N 1.52 0.59 0.23 3.77 0.00 -1.64 -3.38 119.26 120.34 1sio h ALA 279 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.98 1sio h ALA 279 Cb 1.67 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.50 1sio h ALA 279 CO -0.00 0.00 -1.43 0.28 0.00 0.00 0.00 179.25 178.10 1sio h VAL 280 N 0.00 1.28 -0.31 0.00 2.07 -1.32 -1.93 116.25 116.05 1sio h VAL 280 Ca 0.00 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.84 1sio h VAL 280 Cb 0.92 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1sio h VAL 280 CO 0.00 0.80 0.08 0.00 0.02 0.00 0.00 177.57 178.47 1sio h ALA 281 N 0.18 0.41 -0.88 1.67 0.00 -1.74 -0.88 119.26 118.01 1sio h ALA 281 Ca -0.24 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1sio h ALA 281 Cb 2.12 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 1sio h ALA 281 CO 0.27 0.06 0.53 -1.35 0.00 0.00 0.00 179.25 178.76 1sio h PRO 282 N 0.34 0.85 -0.05 0.00 0.11 -1.73 -0.81 132.00 130.71 1sio h PRO 282 Ca 0.10 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.17 1sio h PRO 282 Cb 0.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1sio h PRO 282 CO -0.00 0.57 -0.01 1.25 -0.21 0.00 0.00 178.00 179.59 1sio h LEU 283 N 0.88 -0.05 -0.36 2.35 5.85 -0.99 -2.61 115.31 120.37 1sio h LEU 283 Ca 0.42 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 59.09 1sio h LEU 283 Cb 0.37 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1sio h LEU 283 CO -0.24 -0.02 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.24 1sio h PHE 284 N -0.01 0.00 -0.79 1.25 0.04 -0.95 -2.88 116.94 113.61 1sio h PHE 284 Ca 0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1sio h PHE 284 Cb 0.04 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 1sio h PHE 284 CO -0.11 0.34 0.39 0.00 -0.60 0.00 0.00 178.31 178.33 1sio h ALA 285 N 1.66 1.01 -0.43 2.45 0.00 -0.96 0.98 119.26 123.97 1sio h ALA 285 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sio h ALA 285 Cb 1.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1sio h ALA 285 CO 0.04 0.56 0.13 0.00 0.00 0.00 0.00 179.25 179.99 1sio h ALA 286 N 1.20 0.57 -0.68 0.00 0.00 -1.32 0.12 119.26 119.14 1sio h ALA 286 Ca 0.27 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sio h ALA 286 Cb 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1sio h ALA 286 CO -0.04 0.21 0.40 1.25 0.00 0.00 0.00 179.25 181.08 1sio h LEU 287 N 0.56 0.63 -0.53 0.00 5.85 -1.26 -1.01 115.31 119.54 1sio h LEU 287 Ca 0.14 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1sio h LEU 287 Cb 0.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1sio h LEU 287 CO -0.00 0.42 -0.12 0.58 -0.34 0.00 0.00 178.44 178.98 1sio h VAL 288 N 0.77 1.27 -0.12 1.05 2.07 -0.53 -1.68 116.25 119.07 1sio h VAL 288 Ca 0.29 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1sio h VAL 288 Cb 0.11 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1sio h VAL 288 CO -0.15 0.45 -0.16 0.00 0.02 0.00 0.00 177.57 177.74 1sio h ALA 289 N 0.92 1.51 -0.32 1.67 0.00 -0.10 -1.24 119.26 121.70 1sio h ALA 289 Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1sio h ALA 289 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sio h ALA 289 CO 0.05 0.35 0.04 0.00 0.00 0.00 0.00 179.25 179.69 1sio h ARG 290 N 0.19 0.54 -0.67 0.00 3.08 -0.94 -1.83 114.38 114.76 1sio h ARG 290 Ca 0.04 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1sio h ARG 290 Cb 0.40 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1sio h ARG 290 CO 0.02 0.64 0.38 0.82 -1.07 0.00 0.00 179.97 180.77 1sio h ILE 291 N 0.36 1.20 -0.80 2.04 2.04 -0.97 -2.19 117.51 119.19 1sio h ILE 291 Ca 0.10 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1sio h ILE 291 Cb 0.37 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1sio h ILE 291 CO 0.01 0.21 0.45 0.78 0.00 0.00 0.00 178.15 179.60 1sio h ASN 292 N 0.91 0.99 -0.38 1.72 2.35 -1.15 0.10 115.58 120.12 1sio h ASN 292 Ca 0.24 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1sio h ASN 292 Cb 0.01 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 1sio h ASN 292 CO -0.04 0.80 0.06 -0.61 -1.65 0.00 0.00 177.43 175.99 1sio h GLN 293 N 1.11 0.18 -0.42 0.81 4.15 -0.79 -0.95 115.11 119.19 1sio h GLN 293 Ca 0.28 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.55 1sio h GLN 293 Cb 0.02 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1sio h GLN 293 CO -0.05 0.12 -0.28 -0.22 -1.93 0.00 0.00 178.83 176.47 1sio h LYS 294 N 0.18 0.93 0.00 1.69 1.63 -0.86 -3.12 116.57 117.02 1sio h LYS 294 Ca 0.19 -0.44 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1sio h LYS 294 Cb 0.23 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1sio h LYS 294 CO -0.25 1.10 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.63 1sio h LEU 295 N 0.76 0.00 0.00 5.20 3.38 -0.59 -3.46 115.31 120.60 1sio h LEU 295 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sio h LEU 295 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1sio h LEU 295 CO 0.08 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1sio n GLY 296 N 0.21 0.50 3.58 0.83 0.00 -0.40 -4.98 105.19 104.92 1sio n GLY 296 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1sio n GLY 296 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sio s LYS 297 N -0.16 0.78 0.17 1.61 2.20 -1.17 -5.05 119.74 118.12 1sio s LYS 297 Ca 0.00 0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.69 1sio s LYS 297 Cb 0.00 0.37 -0.10 0.00 -1.51 0.00 0.00 37.83 36.59 1sio s LYS 297 CO 0.00 -0.20 1.56 0.00 -0.36 0.00 0.00 175.35 176.35 1sio s ALA 298 N -0.68 3.77 0.34 3.13 0.00 -1.26 -4.68 121.76 122.38 1sio s ALA 298 Ca -0.04 1.37 0.33 0.00 0.00 0.00 0.00 51.96 53.61 1sio s ALA 298 Cb -0.02 -3.62 1.58 0.00 0.00 0.00 0.00 23.12 21.06 1sio s ALA 298 CO 0.03 -0.78 2.08 -0.39 0.00 0.00 0.00 175.76 176.71 1sio h VAL 299 N 4.00 0.28 0.00 0.00 -1.51 -1.92 -3.48 116.25 113.63 1sio h VAL 299 Ca -0.43 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 1sio h VAL 299 Cb 1.20 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1sio h VAL 299 CO 0.91 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.93 1sio n GLY 300 N -0.47 3.06 3.62 5.19 0.00 -1.22 -4.48 105.19 110.90 1sio n GLY 300 Ca -0.01 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1sio n GLY 300 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sio s TYR 301 N 0.00 1.98 -0.33 1.61 5.04 -1.26 -4.00 117.35 120.40 1sio s TYR 301 Ca 0.00 0.55 0.22 0.00 -2.44 0.00 0.00 57.07 55.40 1sio s TYR 301 Cb 0.00 -4.05 -0.15 0.00 0.35 0.00 0.00 41.96 38.11 1sio s TYR 301 CO 0.00 -3.00 0.79 1.28 -1.34 0.00 0.00 175.55 173.28 1sio n LEU 302 N 9.07 0.44 0.13 6.97 4.77 -1.26 -4.70 117.00 132.43 1sio n LEU 302 Ca 0.20 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1sio n LEU 302 Cb 0.46 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1sio n LEU 302 CO 0.66 -0.00 0.74 0.78 -1.33 0.00 0.00 177.39 178.24 1sio h ASN 303 N 0.00 -0.49 -0.54 -1.43 4.21 -1.92 0.55 115.58 115.96 1sio h ASN 303 Ca 0.00 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 1sio h ASN 303 Cb 0.87 0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 1sio h ASN 303 CO 0.00 -0.27 0.31 -0.65 -1.29 0.00 0.00 177.43 175.53 1sio h PRO 304 N -0.39 0.77 -0.23 0.81 0.11 -1.94 -2.57 132.00 128.55 1sio h PRO 304 Ca 0.01 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1sio h PRO 304 Cb 0.38 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1sio h PRO 304 CO -0.06 0.56 -0.02 1.15 -0.21 0.00 0.00 178.00 179.43 1sio h THR 305 N 0.78 1.26 -0.97 -1.15 2.02 -1.58 -3.21 112.91 110.07 1sio h THR 305 Ca 0.20 -0.94 0.16 0.00 0.77 0.00 0.00 66.41 66.59 1sio h THR 305 Cb 0.01 1.42 -0.09 0.00 -1.74 0.00 0.00 68.15 67.75 1sio h THR 305 CO -0.03 0.29 0.61 -0.07 0.37 0.00 0.00 175.52 176.69 1sio h LEU 306 N 0.18 0.77 0.00 2.58 3.38 -0.51 -1.68 115.31 120.04 1sio h LEU 306 Ca 0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sio h LEU 306 Cb 0.44 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sio h LEU 306 CO 0.02 0.36 0.00 -1.22 0.09 0.00 0.00 178.44 177.68 1sio n TYR 307 N -4.64 0.00 0.12 1.13 4.02 -1.16 -2.52 117.16 114.11 1sio n TYR 307 Ca 0.20 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.11 1sio n TYR 307 Cb 0.48 -0.23 0.02 0.00 -0.02 0.00 0.00 39.34 39.59 1sio n TYR 307 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sio n GLN 308 N -1.23 -0.02 -1.09 -0.72 10.64 -0.66 -5.01 117.38 119.30 1sio n GLN 308 Ca 0.16 -0.85 -0.30 0.00 -1.83 0.00 0.00 57.00 54.17 1sio n GLN 308 Cb 0.21 -1.07 0.13 0.00 -0.86 0.00 0.00 30.24 28.65 1sio n GLN 308 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1sio s LEU 309 N -0.40 2.59 0.31 2.61 1.43 -1.04 -4.93 118.68 119.24 1sio s LEU 309 Ca 0.05 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.61 1sio s LEU 309 Cb 0.03 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 41.88 1sio s LEU 309 CO 0.05 -2.59 1.50 -2.65 0.23 0.00 0.00 176.35 172.88 1sio n PRO 310 N -3.87 2.49 0.13 1.29 -0.02 -1.26 -4.84 135.00 128.91 1sio n PRO 310 Ca 0.08 0.88 0.15 0.00 -2.02 0.00 0.00 63.50 62.59 1sio n PRO 310 Cb 0.54 -2.60 0.68 0.00 -0.02 0.00 0.00 33.50 32.09 1sio n PRO 310 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sio h ALA 311 N 4.01 2.23 0.00 3.55 0.00 -1.95 -1.55 119.26 125.53 1sio h ALA 311 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sio h ALA 311 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1sio h ALA 311 CO 0.73 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1sio n ASP 312 N -4.40 0.00 0.11 0.00 5.68 -1.26 -1.80 116.55 114.89 1sio n ASP 312 Ca 0.04 -0.94 0.12 0.00 -0.50 0.00 0.00 54.79 53.51 1sio n ASP 312 Cb 0.36 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.79 1sio n ASP 312 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1sio n VAL 313 N -0.73 0.71 -5.26 2.12 0.31 -0.58 -4.85 118.33 110.05 1sio n VAL 313 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.09 1sio n VAL 313 Cb 0.03 -0.90 -0.16 0.00 -0.91 0.00 0.00 33.84 31.91 1sio n VAL 313 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1sio s PHE 314 N -3.21 2.39 -0.57 3.52 0.08 -0.74 -0.61 117.98 118.83 1sio s PHE 314 Ca 0.07 -0.47 -0.24 0.00 0.12 0.00 0.00 56.93 56.41 1sio s PHE 314 Cb 0.11 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 41.07 1sio s PHE 314 CO 0.48 -0.06 0.93 -1.58 -0.10 0.00 0.00 175.22 174.90 1sio s HIS 315 N -0.52 2.78 0.17 0.36 5.65 0.24 -4.90 115.29 119.07 1sio s HIS 315 Ca 0.07 -0.13 -0.31 0.00 0.25 0.00 0.00 55.06 54.94 1sio s HIS 315 Cb -0.11 -4.08 -0.09 0.00 -1.18 0.00 0.00 32.58 27.11 1sio s HIS 315 CO 0.00 -1.39 1.46 0.34 -0.65 0.00 0.00 174.74 174.50 1sio s ASP 316 N 2.98 6.71 -0.22 9.88 2.15 -1.26 -1.41 116.67 135.50 1sio s ASP 316 Ca 0.28 2.51 -0.10 0.00 0.43 0.00 0.00 52.55 55.67 1sio s ASP 316 Cb -0.14 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 39.84 1sio s ASP 316 CO 0.17 -0.71 0.15 -0.63 -0.17 0.00 0.00 175.17 173.97 1sio s ILE 317 N 0.78 5.39 0.00 4.11 1.09 -1.26 -4.96 121.20 126.34 1sio s ILE 317 Ca 0.65 0.19 0.00 0.00 -1.10 0.00 0.00 60.65 60.39 1sio s ILE 317 Cb -0.40 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1sio s ILE 317 CO 0.34 0.40 0.00 0.35 -0.10 0.00 0.00 174.94 175.93 1sio n THR 318 N 3.84 0.00 -5.16 2.92 -2.24 -1.26 -3.89 114.28 108.49 1sio n THR 318 Ca -0.15 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 1sio n THR 318 Cb 0.52 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.57 1sio n THR 318 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sio s GLU 319 N -1.04 2.22 0.00 -0.78 2.12 -1.26 -3.86 118.70 116.10 1sio s GLU 319 Ca 0.00 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1sio s GLU 319 Cb 0.00 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.25 1sio s GLU 319 CO 0.00 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1sio n GLY 320 N 2.37 1.67 3.32 -1.50 0.00 -1.26 -1.92 105.19 107.87 1sio n GLY 320 Ca -0.16 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.63 1sio n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sio s ASN 321 N 0.00 0.02 -0.31 1.61 2.20 -1.26 -0.40 114.94 116.80 1sio s ASN 321 Ca 0.00 -0.74 0.08 0.00 -0.94 0.00 0.00 52.86 51.25 1sio s ASN 321 Cb 0.00 0.43 0.47 0.00 -2.00 0.00 0.00 41.25 40.14 1sio s ASN 321 CO 0.00 -0.86 1.38 -0.46 -2.94 0.00 0.00 177.10 174.21 1sio n ASN 322 N -0.19 3.55 -4.54 3.54 6.94 -0.18 -4.61 115.26 119.77 1sio n ASN 322 Ca -0.10 -3.81 -0.41 0.00 -0.02 0.00 0.00 54.58 50.24 1sio n ASN 322 Cb 0.63 -0.55 -0.09 0.00 -2.36 0.00 0.00 39.78 37.41 1sio n ASN 322 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1sio s ASP 323 N -2.98 6.25 0.00 0.53 -1.08 -1.25 -0.73 116.67 117.41 1sio s ASP 323 Ca 0.47 -0.18 0.09 0.00 -0.52 0.00 0.00 52.55 52.41 1sio s ASP 323 Cb 0.41 -2.23 0.12 0.00 -1.46 0.00 0.00 42.92 39.75 1sio s ASP 323 CO -0.01 -0.43 0.89 2.30 0.52 0.00 0.00 175.17 178.44 1sio n ILE 324 N 5.35 0.23 -0.08 4.11 -5.35 -1.26 -4.66 119.36 117.69 1sio n ILE 324 Ca -0.07 -0.61 -0.10 0.00 -0.27 0.00 0.00 62.75 61.70 1sio n ILE 324 Cb 0.49 1.04 -0.15 0.00 -1.74 0.00 0.00 39.64 39.27 1sio n ILE 324 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sio n ALA 325 N 0.48 1.49 -3.10 -1.28 0.00 -1.26 -4.11 120.51 112.73 1sio n ALA 325 Ca 0.06 -1.18 -0.00 0.00 0.00 0.00 0.00 53.44 52.32 1sio n ALA 325 Cb 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1sio n ALA 325 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1sio n ASN 326 N -2.85 -0.28 -1.59 0.00 0.23 -1.26 -5.06 115.26 104.45 1sio n ASN 326 Ca -0.30 -1.20 -0.01 0.00 -0.53 0.00 0.00 54.58 52.54 1sio n ASN 326 Cb 1.12 0.47 0.29 0.00 -2.08 0.00 0.00 39.78 39.58 1sio n ASN 326 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1sio n ARG 327 N -0.07 3.32 0.00 -3.83 1.74 -1.26 -4.41 116.66 112.15 1sio n ARG 327 Ca -0.01 -3.05 0.15 0.00 -0.77 0.00 0.00 57.85 54.16 1sio n ARG 327 Cb 0.07 -2.07 0.69 0.00 -1.02 0.00 0.00 32.46 30.13 1sio n ARG 327 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sio n ALA 328 N -0.35 2.69 -3.74 7.54 0.00 -1.26 -4.93 120.51 120.46 1sio n ALA 328 Ca 0.34 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.25 1sio n ALA 328 Cb 1.20 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 19.31 1sio n ALA 328 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sio n GLN 329 N -0.90 -5.64 -3.37 0.00 6.02 -1.26 -4.96 117.38 107.27 1sio n GLN 329 Ca 0.17 0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 57.39 1sio n GLN 329 Cb 0.25 -5.55 -0.09 0.00 1.02 0.00 0.00 30.24 25.87 1sio n GLN 329 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sio s ILE 330 N -3.25 5.14 0.29 5.09 1.01 -1.26 -2.96 121.20 125.25 1sio s ILE 330 Ca 0.60 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.30 1sio s ILE 330 Cb -0.30 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1sio s ILE 330 CO 0.75 -0.18 0.22 -0.31 0.00 0.00 0.00 174.94 175.42 1sio s TYR 331 N 2.07 2.98 0.00 3.97 1.51 -1.26 -3.74 117.35 122.88 1sio s TYR 331 Ca 0.12 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1sio s TYR 331 Cb -0.17 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1sio s TYR 331 CO 0.12 0.38 -0.10 -0.65 -1.11 0.00 0.00 175.55 174.19 1sio s GLN 332 N -3.89 2.46 0.70 -0.62 -0.21 -1.16 -1.01 119.66 115.93 1sio s GLN 332 Ca 0.36 -0.76 -0.13 0.00 0.02 0.00 0.00 55.36 54.85 1sio s GLN 332 Cb -0.07 -2.43 0.02 0.00 1.00 0.00 0.00 33.01 31.54 1sio s GLN 332 CO 0.25 0.60 1.09 0.00 -2.12 0.00 0.00 175.29 175.10 1sio s ALA 333 N -0.94 2.45 0.36 6.09 0.00 0.47 -4.49 121.76 125.70 1sio s ALA 333 Ca 0.16 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 1sio s ALA 333 Cb -0.11 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1sio s ALA 333 CO 0.06 -1.40 0.79 0.41 0.00 0.00 0.00 175.76 175.62 1sio n GLY 334 N -1.08 0.97 3.75 0.00 0.00 -1.25 -4.74 105.19 102.84 1sio n GLY 334 Ca 0.09 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1sio n GLY 334 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sio n PRO 335 N -0.54 2.64 0.00 1.61 -0.02 -1.26 -4.40 135.00 133.03 1sio n PRO 335 Ca -0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1sio n PRO 335 Cb 0.57 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1sio n PRO 335 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sio n GLY 336 N 1.38 -0.37 3.77 -1.23 0.00 -1.26 -4.78 105.19 102.70 1sio n GLY 336 Ca 0.05 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1sio n GLY 336 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sio s TRP 337 N 0.00 2.83 0.14 1.61 -0.00 -1.26 -4.74 118.94 117.53 1sio s TRP 337 Ca 0.00 1.35 -0.08 0.00 -0.00 0.00 0.00 56.10 57.37 1sio s TRP 337 Cb 0.00 -3.77 -0.01 0.00 -0.00 0.00 0.00 33.47 29.69 1sio s TRP 337 CO 0.00 -2.26 0.23 0.16 -0.00 0.00 0.00 176.95 175.09 1sio s ASP 338 N -0.49 0.09 -0.13 5.86 1.47 -0.91 -4.80 116.67 117.76 1sio s ASP 338 Ca 0.53 -0.86 0.02 0.00 1.18 0.00 0.00 52.55 53.42 1sio s ASP 338 Cb -0.41 0.40 0.23 0.00 -0.34 0.00 0.00 42.92 42.79 1sio s ASP 338 CO 0.54 -0.83 1.19 -2.65 0.68 0.00 0.00 175.17 174.10 1sio n PRO 339 N -0.16 1.62 -0.05 2.11 -0.02 -1.26 -0.53 135.00 136.71 1sio n PRO 339 Ca -0.09 -0.98 -0.07 0.00 -2.02 0.00 0.00 63.50 60.34 1sio n PRO 339 Cb 0.63 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 1sio n PRO 339 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sio n THR 341 N -2.91 0.18 -1.45 0.00 -2.24 -1.20 -4.27 114.28 102.39 1sio n THR 341 Ca -0.17 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1sio n THR 341 Cb 0.67 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 1sio n THR 341 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sio n GLY 342 N -0.09 3.22 0.16 3.38 0.00 0.31 -2.14 105.19 110.04 1sio n GLY 342 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1sio n GLY 342 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sio h LEU 343 N 0.00 0.00 0.00 0.99 3.38 -1.47 -2.43 115.31 115.78 1sio h LEU 343 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sio h LEU 343 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sio h LEU 343 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1sio n GLY 344 N 0.22 0.73 3.86 0.83 0.00 -0.91 -4.35 105.19 105.57 1sio n GLY 344 Ca 0.02 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1sio n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sio s SER 345 N -4.00 6.68 0.28 1.61 1.04 -0.50 -0.49 113.70 118.32 1sio s SER 345 Ca 0.00 0.85 -0.28 0.00 0.48 0.00 0.00 55.95 56.99 1sio s SER 345 Cb 0.00 -2.20 -0.09 0.00 0.10 0.00 0.00 66.02 63.83 1sio s SER 345 CO 0.00 0.16 0.96 -2.16 0.98 0.00 0.00 173.24 173.19 1sio s PRO 346 N -1.89 4.71 -0.59 4.02 0.04 -1.26 0.80 135.00 140.82 1sio s PRO 346 Ca 0.34 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 1sio s PRO 346 Cb -0.14 -3.07 0.10 0.00 0.04 0.00 0.00 34.50 31.43 1sio s PRO 346 CO 0.18 0.37 0.72 0.42 0.04 0.00 0.00 177.00 178.73 1sio s ILE 347 N -1.35 4.79 0.19 0.56 1.01 0.22 -4.79 121.20 121.82 1sio s ILE 347 Ca 0.45 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 1sio s ILE 347 Cb -0.24 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 37.88 1sio s ILE 347 CO 0.30 -1.12 1.59 1.23 0.00 0.00 0.00 174.94 176.93 1sio h GLY 348 N 10.05 -0.06 2.00 6.18 0.00 -0.77 0.03 103.07 120.50 1sio h GLY 348 Ca -0.29 0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 1sio h GLY 348 CO 1.10 -0.21 -0.43 -0.24 0.00 0.00 0.00 176.54 176.76 1sio h VAL 349 N -0.15 1.20 0.04 4.60 3.04 -0.62 -1.59 116.25 122.76 1sio h VAL 349 Ca 0.24 -1.53 -0.22 0.00 -1.01 0.00 0.00 66.70 64.18 1sio h VAL 349 Cb 0.55 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 1sio h VAL 349 CO -0.68 0.42 -1.00 0.03 -1.01 0.00 0.00 177.57 175.34 1sio h ARG 350 N 0.00 0.23 -0.17 4.17 3.08 -1.33 -1.87 114.38 118.49 1sio h ARG 350 Ca -0.00 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1sio h ARG 350 Cb 0.81 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1sio h ARG 350 CO 0.06 1.05 0.10 1.25 -1.07 0.00 0.00 179.97 181.36 1sio h LEU 351 N 0.11 0.20 0.12 3.04 5.85 -0.89 -0.98 115.31 122.77 1sio h LEU 351 Ca -0.07 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1sio h LEU 351 Cb 1.67 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 1sio h LEU 351 CO 0.16 0.19 -0.29 0.25 -0.34 0.00 0.00 178.44 178.41 1sio h LEU 352 N 0.19 -0.84 -0.77 2.25 5.85 -1.33 -1.64 115.31 119.03 1sio h LEU 352 Ca 0.06 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1sio h LEU 352 Cb 0.03 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1sio h LEU 352 CO -0.01 -0.38 0.46 1.56 -0.34 0.00 0.00 178.44 179.73 1sio h GLN 353 N -0.51 0.82 0.00 1.25 4.20 -1.17 -0.65 115.11 119.05 1sio h GLN 353 Ca 0.03 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1sio h GLN 353 Cb 0.54 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1sio h GLN 353 CO -0.17 0.55 -0.21 0.00 -0.67 0.00 0.00 178.83 178.32 1sio h ALA 354 N 1.38 1.42 0.00 3.87 0.00 -0.85 -2.75 119.26 122.33 1sio h ALA 354 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sio h ALA 354 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sio h ALA 354 CO -0.17 0.27 -0.54 1.28 0.00 0.00 0.00 179.25 180.09 1sio n LEU 355 N -3.96 0.53 -4.77 0.00 4.77 -0.33 -4.84 117.00 108.40 1sio n LEU 355 Ca -0.02 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1sio n LEU 355 Cb 0.30 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1sio n LEU 355 CO 0.34 0.13 1.02 -0.76 -1.33 0.00 0.00 177.39 176.79 1sio s LEU 356 N -3.04 4.38 0.00 2.23 1.43 -0.74 -5.09 118.68 117.85 1sio s LEU 356 Ca 0.11 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1sio s LEU 356 Cb 0.17 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1sio s LEU 356 CO 0.71 -0.65 0.00 0.09 0.23 0.00 0.00 176.35 176.73