#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dma s THR 3 N 0.00 4.55 -0.71 -5.08 2.01 -1.26 -5.02 115.64 110.13 3dma s THR 3 Ca 0.00 1.30 -0.24 0.00 0.31 0.00 0.00 61.69 63.06 3dma s THR 3 Cb 0.00 -3.84 0.06 0.00 0.01 0.00 0.00 72.50 68.73 3dma s THR 3 CO 0.00 0.14 1.08 -0.54 -0.69 0.00 0.00 174.62 174.61 3dma s LYS 4 N -2.13 3.17 -0.21 4.92 1.02 -1.26 -4.85 119.74 120.41 3dma s LYS 4 Ca 0.45 -0.71 -0.18 0.00 0.02 0.00 0.00 55.97 55.56 3dma s LYS 4 Cb -0.16 -4.28 -0.19 0.00 -0.52 0.00 0.00 37.83 32.68 3dma s LYS 4 CO 0.21 -1.93 0.14 0.28 -0.92 0.00 0.00 175.35 173.13 3dma n VAL 5 N 6.07 1.57 -2.49 3.17 0.31 -1.26 -4.90 118.33 120.80 3dma n VAL 5 Ca 0.00 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 3dma n VAL 5 Cb 0.47 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 3dma n VAL 5 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dma s ILE 6 N -2.42 3.76 0.13 2.52 1.01 -1.26 -4.98 121.20 119.97 3dma s ILE 6 Ca -0.30 1.55 -0.31 0.00 0.00 0.00 0.00 60.65 61.59 3dma s ILE 6 Cb 0.07 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3dma s ILE 6 CO 0.60 0.28 1.58 0.00 0.00 0.00 0.00 174.94 177.40 3dma s ALA 7 N -0.35 3.73 0.45 9.38 0.00 -1.26 -4.89 121.76 128.81 3dma s ALA 7 Ca 0.49 1.29 0.16 0.00 0.00 0.00 0.00 51.96 53.90 3dma s ALA 7 Cb -0.30 -3.64 1.10 0.00 0.00 0.00 0.00 23.12 20.28 3dma s ALA 7 CO 0.36 -0.87 1.98 0.37 0.00 0.00 0.00 175.76 177.60 3dma h GLN 8 N 7.31 0.32 -0.37 0.00 5.75 -1.97 -1.26 115.11 124.89 3dma h GLN 8 Ca -0.42 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3dma h GLN 8 Cb 1.20 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 3dma h GLN 8 CO 0.91 0.21 0.23 0.00 -2.65 0.00 0.00 178.83 177.53 3dma h ALA 9 N 1.70 0.47 -0.62 3.38 0.00 -1.99 0.17 119.26 122.38 3dma h ALA 9 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3dma h ALA 9 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3dma h ALA 9 CO -0.07 -0.05 0.28 0.45 0.00 0.00 0.00 179.25 179.87 3dma h HIS 10 N 0.49 0.90 -0.64 0.00 3.86 -1.64 -0.07 115.15 118.05 3dma h HIS 10 Ca 0.13 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3dma h HIS 10 Cb -0.02 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 3dma h HIS 10 CO -0.04 0.69 0.23 0.82 0.86 0.00 0.00 177.93 180.49 3dma h ILE 11 N 0.85 1.23 -0.27 2.45 2.04 -0.96 -0.62 117.51 122.23 3dma h ILE 11 Ca 0.21 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 3dma h ILE 11 Cb 0.14 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3dma h ILE 11 CO -0.02 0.30 -0.08 0.44 0.00 0.00 0.00 178.15 178.79 3dma h ASP 12 N 0.94 0.53 -0.33 1.72 3.32 -0.18 -1.76 116.42 120.66 3dma h ASP 12 Ca 0.21 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3dma h ASP 12 Cb 0.23 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3dma h ASP 12 CO -0.01 0.78 0.18 -0.74 -1.72 0.00 0.00 179.24 177.74 3dma h HIS 13 N 0.27 0.45 -0.59 4.55 2.76 -0.71 -2.34 115.15 119.53 3dma h HIS 13 Ca 0.07 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 3dma h HIS 13 Cb 0.56 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3dma h HIS 13 CO 0.05 0.35 0.16 0.35 -1.30 0.00 0.00 177.93 177.55 3dma h PHE 14 N 0.41 0.98 -0.72 5.26 3.57 -1.12 -2.05 116.94 123.27 3dma h PHE 14 Ca 0.12 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.60 3dma h PHE 14 Cb 0.05 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 3dma h PHE 14 CO -0.03 0.82 0.47 1.15 -2.23 0.00 0.00 178.31 178.49 3dma h THR 15 N 0.85 0.94 0.77 4.41 2.02 -1.11 0.39 112.91 121.18 3dma h THR 15 Ca 0.19 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3dma h THR 15 Cb 0.32 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3dma h THR 15 CO -0.00 0.11 -0.37 0.50 0.37 0.00 0.00 175.52 176.13 3dma h LYS 16 N 0.62 -1.00 -0.72 6.66 3.64 -0.83 -1.85 116.57 123.09 3dma h LYS 16 Ca 0.33 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.93 3dma h LYS 16 Cb 0.46 0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.40 3dma h LYS 16 CO -0.11 -0.67 0.12 -1.49 -2.27 0.00 0.00 179.45 175.03 3dma h TRP 17 N -1.09 0.17 -0.41 1.91 4.06 -0.92 -2.63 115.95 117.05 3dma h TRP 17 Ca -0.11 0.05 0.08 0.00 2.06 0.00 0.00 58.89 60.96 3dma h TRP 17 Cb 0.80 0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 28.93 3dma h TRP 17 CO 0.04 -0.13 -0.01 0.35 -3.56 0.00 0.00 178.44 175.14 3dma h PHE 18 N 0.21 -0.04 0.00 0.49 3.57 -0.06 0.43 116.94 121.54 3dma h PHE 18 Ca 0.40 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.85 3dma h PHE 18 Cb 0.68 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3dma h PHE 18 CO -0.30 -0.09 -0.39 0.93 -2.23 0.00 0.00 178.31 176.22 3dma h GLU 19 N 0.10 0.00 0.00 1.11 5.08 -0.98 -3.19 114.58 116.70 3dma h GLU 19 Ca 0.20 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.32 3dma h GLU 19 Cb 0.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3dma h GLU 19 CO -0.34 0.39 -1.29 -0.09 -1.00 0.00 0.00 179.01 176.68 3dma h ARG 20 N 0.00 0.00 -7.01 2.33 2.43 -1.23 -3.47 114.38 107.42 3dma h ARG 20 Ca -0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 3dma h ARG 20 Cb 0.96 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 30.59 3dma h ARG 20 CO 0.05 0.73 0.52 0.00 -1.51 0.00 0.00 179.97 179.76 3dma s ALA 21 N -2.69 2.93 -0.07 2.80 0.00 0.11 -4.97 121.76 119.88 3dma s ALA 21 Ca -0.01 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 3dma s ALA 21 Cb 0.09 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3dma s ALA 21 CO 0.82 -0.87 -0.08 -0.25 0.00 0.00 0.00 175.76 175.38 3dma n ASP 22 N -0.63 1.96 -4.36 0.00 8.00 -1.26 -4.98 116.55 115.27 3dma n ASP 22 Ca 0.08 0.03 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 3dma n ASP 22 Cb 0.47 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 3dma n ASP 22 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3dma s LYS 23 N -2.13 3.43 -0.01 -1.24 3.01 -1.26 -1.50 119.74 120.04 3dma s LYS 23 Ca -0.10 -0.63 0.04 0.00 -1.01 0.00 0.00 55.97 54.28 3dma s LYS 23 Cb 0.03 -2.85 -0.01 0.00 -1.01 0.00 0.00 37.83 33.99 3dma s LYS 23 CO 0.14 0.03 -0.14 0.42 0.51 0.00 0.00 175.35 176.31 3dma s ILE 24 N 0.87 1.10 -0.06 2.17 1.01 0.11 -0.76 121.20 125.64 3dma s ILE 24 Ca -0.02 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.08 3dma s ILE 24 Cb -0.15 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 3dma s ILE 24 CO 0.01 0.31 -0.21 -0.69 0.00 0.00 0.00 174.94 174.36 3dma s VAL 25 N -0.31 1.76 -0.19 2.92 1.01 -0.64 -1.99 120.40 122.95 3dma s VAL 25 Ca 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3dma s VAL 25 Cb -0.06 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3dma s VAL 25 CO -0.00 0.49 -0.06 -0.63 0.00 0.00 0.00 175.10 174.90 3dma s ILE 26 N 0.12 3.40 0.07 2.22 1.01 -0.51 -0.34 121.20 127.18 3dma s ILE 26 Ca -0.09 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.14 3dma s ILE 26 Cb -0.14 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3dma s ILE 26 CO 0.05 0.46 -0.20 -0.69 0.00 0.00 0.00 174.94 174.55 3dma s VAL 27 N 1.05 2.67 0.22 2.92 1.01 0.38 -0.83 120.40 127.82 3dma s VAL 27 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.65 3dma s VAL 27 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3dma s VAL 27 CO -0.00 0.26 0.14 -0.55 0.00 0.00 0.00 175.10 174.95 3dma s SER 28 N -1.63 0.44 0.71 3.32 0.15 -1.17 -0.57 113.70 114.94 3dma s SER 28 Ca 0.15 -1.43 -0.13 0.00 0.70 0.00 0.00 55.95 55.24 3dma s SER 28 Cb -0.10 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3dma s SER 28 CO 0.06 -0.85 1.10 -1.38 1.20 0.00 0.00 173.24 173.37 3dma s HIS 29 N -4.04 2.62 0.51 3.44 -3.43 -1.26 -4.35 115.29 108.79 3dma s HIS 29 Ca 0.39 1.55 -0.21 0.00 -0.80 0.00 0.00 55.06 55.99 3dma s HIS 29 Cb 0.07 -3.11 -0.09 0.00 -1.43 0.00 0.00 32.58 28.02 3dma s HIS 29 CO 0.14 -1.71 0.79 1.55 -2.00 0.00 0.00 174.74 173.51 3dma n VAL 30 N -2.90 2.62 -3.87 -5.38 3.14 -0.19 -2.30 118.33 109.45 3dma n VAL 30 Ca 0.10 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.65 3dma n VAL 30 Cb 0.52 -0.93 0.01 0.00 -1.06 0.00 0.00 33.84 32.39 3dma n VAL 30 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3dma n SER 31 N 0.28 -3.31 -4.74 6.55 7.64 -1.26 -4.84 113.62 113.94 3dma n SER 31 Ca 0.11 -1.09 -0.41 0.00 1.01 0.00 0.00 58.87 58.50 3dma n SER 31 Cb 0.44 -2.84 0.01 0.00 -1.01 0.00 0.00 64.21 60.80 3dma n SER 31 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3dma n PRO 32 N -4.45 2.21 -1.02 1.43 -0.04 -0.97 -5.02 135.00 127.14 3dma n PRO 32 Ca -0.17 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3dma n PRO 32 Cb 0.62 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3dma n PRO 32 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dma n ASP 33 N 0.15 1.66 -0.22 3.54 5.68 -1.26 -4.35 116.55 121.75 3dma n ASP 33 Ca 0.05 -0.56 0.03 0.00 -0.50 0.00 0.00 54.79 53.81 3dma n ASP 33 Cb 0.40 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.51 3dma n ASP 33 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3dma h GLY 34 N 0.00 0.78 2.00 6.12 0.00 -1.95 0.06 103.07 110.08 3dma h GLY 34 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 3dma h GLY 34 CO 0.00 -0.21 -0.62 -1.80 0.00 0.00 0.00 176.54 173.91 3dma h ASP 35 N 0.16 0.00 -0.05 0.19 3.58 -1.83 0.21 116.42 118.68 3dma h ASP 35 Ca 0.36 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.77 3dma h ASP 35 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 3dma h ASP 35 CO -0.54 0.62 -0.13 0.00 -2.88 0.00 0.00 179.24 176.31 3dma h ALA 36 N 1.38 0.08 -0.16 -0.78 0.00 -1.70 -2.72 119.26 115.36 3dma h ALA 36 Ca -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3dma h ALA 36 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dma h ALA 36 CO 0.08 -0.01 -0.36 0.82 0.00 0.00 0.00 179.25 179.78 3dma h ILE 37 N -0.35 1.35 -0.64 0.00 1.08 -1.04 -2.74 117.51 115.17 3dma h ILE 37 Ca -0.00 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 3dma h ILE 37 Cb 0.75 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 3dma h ILE 37 CO 0.03 0.49 0.41 1.23 -0.69 0.00 0.00 178.15 179.62 3dma h GLY 38 N 0.15 0.91 1.29 5.37 0.00 -0.69 0.11 103.07 110.22 3dma h GLY 38 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 3dma h GLY 38 CO 0.08 0.35 -0.59 1.48 0.00 0.00 0.00 176.54 177.86 3dma h SER 39 N 0.87 0.83 -0.37 0.19 4.64 -1.58 -0.66 113.55 117.47 3dma h SER 39 Ca 0.23 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 3dma h SER 39 Cb -0.07 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3dma h SER 39 CO -0.05 1.23 0.04 0.28 -0.87 0.00 0.00 176.83 177.46 3dma h SER 40 N 0.56 0.61 1.17 4.97 0.02 -1.26 -1.51 113.55 118.11 3dma h SER 40 Ca 0.00 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 3dma h SER 40 Cb 1.18 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3dma h SER 40 CO 0.12 0.74 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.22 3dma h LEU 41 N 0.47 0.00 -0.10 5.07 3.38 -0.80 0.66 115.31 123.99 3dma h LEU 41 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3dma h LEU 41 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3dma h LEU 41 CO 0.01 0.26 -0.11 1.23 0.09 0.00 0.00 178.44 179.92 3dma h GLY 42 N 2.61 0.27 0.97 0.83 0.00 -0.88 -0.93 103.07 105.94 3dma h GLY 42 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 3dma h GLY 42 CO 0.03 0.26 -0.03 -2.00 0.00 0.00 0.00 176.54 174.80 3dma h LEU 43 N -0.18 0.74 0.01 3.11 5.85 -1.21 -2.80 115.31 120.83 3dma h LEU 43 Ca 0.01 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3dma h LEU 43 Cb 0.64 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3dma h LEU 43 CO 0.03 0.89 -0.49 0.22 -0.34 0.00 0.00 178.44 178.75 3dma h TYR 44 N 0.58 -1.40 -0.80 1.25 3.20 -0.81 0.70 116.97 119.68 3dma h TYR 44 Ca 0.11 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.13 3dma h TYR 44 Cb 0.52 0.61 -0.08 0.00 1.54 0.00 0.00 36.73 39.33 3dma h TYR 44 CO 0.04 -0.55 0.44 0.45 -1.64 0.00 0.00 178.16 176.90 3dma h HIS 45 N -0.64 0.79 0.46 -3.82 3.86 -1.15 0.13 115.15 114.78 3dma h HIS 45 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3dma h HIS 45 Cb 0.70 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3dma h HIS 45 CO -0.47 0.29 -0.22 0.35 0.86 0.00 0.00 177.93 178.74 3dma h PHE 46 N 0.72 -0.58 -0.95 2.45 3.57 -1.12 -2.18 116.94 118.84 3dma h PHE 46 Ca 0.40 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.94 3dma h PHE 46 Cb 0.42 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 3dma h PHE 46 CO -0.08 -0.34 0.62 -0.07 -2.23 0.00 0.00 178.31 176.21 3dma h LEU 47 N -0.67 1.00 -1.71 0.59 3.38 -0.39 -1.52 115.31 115.99 3dma h LEU 47 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3dma h LEU 47 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dma h LEU 47 CO 0.10 0.67 -0.17 -0.78 0.09 0.00 0.00 178.44 178.35 3dma h ASP 48 N 1.16 0.00 1.00 -0.43 3.58 -0.65 -0.79 116.42 120.29 3dma h ASP 48 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3dma h ASP 48 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3dma h ASP 48 CO -0.15 0.17 0.00 -1.54 -2.88 0.00 0.00 179.24 174.84 3dma n SER 49 N -3.71 0.30 -2.22 2.28 3.41 -0.58 -3.47 113.62 109.63 3dma n SER 49 Ca -0.02 0.54 -0.29 0.00 -0.26 0.00 0.00 58.87 58.84 3dma n SER 49 Cb 0.28 -0.62 0.11 0.00 -0.26 0.00 0.00 64.21 63.73 3dma n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dma n GLN 50 N -1.79 2.59 -3.84 4.33 1.13 -0.30 -4.93 117.38 114.56 3dma n GLN 50 Ca 0.05 -3.27 -0.28 0.00 -1.94 0.00 0.00 57.00 51.57 3dma n GLN 50 Cb 0.32 -2.23 0.01 0.00 0.11 0.00 0.00 30.24 28.44 3dma n GLN 50 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3dma n ASP 51 N -0.98 -2.14 -4.15 1.08 2.03 -1.23 -4.99 116.55 106.18 3dma n ASP 51 Ca 0.59 -1.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.75 3dma n ASP 51 Cb 0.99 -3.23 -0.11 0.00 -0.72 0.00 0.00 41.12 38.05 3dma n ASP 51 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3dma s LYS 52 N -6.33 0.76 -0.26 -0.67 1.02 -1.25 -5.04 119.74 107.98 3dma s LYS 52 Ca 0.17 -0.99 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 3dma s LYS 52 Cb -0.06 -0.58 -0.01 0.00 -0.52 0.00 0.00 37.83 36.66 3dma s LYS 52 CO 0.87 0.11 0.77 0.42 -0.92 0.00 0.00 175.35 176.61 3dma s ILE 53 N -1.78 4.86 -0.03 2.17 1.01 -0.56 -4.62 121.20 122.25 3dma s ILE 53 Ca -0.01 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.04 3dma s ILE 53 Cb -0.07 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3dma s ILE 53 CO 0.01 -0.09 -0.04 -0.69 0.00 0.00 0.00 174.94 174.12 3dma s VAL 54 N 2.79 0.47 -0.04 2.92 1.01 -1.26 0.04 120.40 126.34 3dma s VAL 54 Ca 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3dma s VAL 54 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3dma s VAL 54 CO 0.09 0.18 -0.06 0.20 0.00 0.00 0.00 175.10 175.51 3dma s ASN 55 N 0.54 0.98 -0.19 3.32 0.01 -0.84 -5.01 114.94 113.75 3dma s ASN 55 Ca -0.07 -0.14 -0.12 0.00 -0.71 0.00 0.00 52.86 51.82 3dma s ASN 55 Cb -0.10 -0.39 -0.05 0.00 0.41 0.00 0.00 41.25 41.12 3dma s ASN 55 CO -0.00 -0.01 0.23 -0.69 -1.51 0.00 0.00 177.10 175.12 3dma s VAL 56 N 0.60 5.34 -0.06 1.60 1.01 -1.26 -1.43 120.40 126.21 3dma s VAL 56 Ca -0.08 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3dma s VAL 56 Cb -0.12 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3dma s VAL 56 CO 0.00 0.39 -0.07 -0.63 0.00 0.00 0.00 175.10 174.79 3dma s ILE 57 N 0.59 0.74 0.11 2.22 1.01 -0.01 -0.65 121.20 125.21 3dma s ILE 57 Ca 0.13 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.60 3dma s ILE 57 Cb -0.13 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3dma s ILE 57 CO 0.02 0.28 -0.13 0.68 0.00 0.00 0.00 174.94 175.79 3dma s VAL 58 N 0.95 1.20 -0.73 2.92 -7.23 -0.54 -3.04 120.40 113.92 3dma s VAL 58 Ca -0.10 -1.67 0.26 0.00 -1.81 0.00 0.00 61.98 58.66 3dma s VAL 58 Cb -0.15 -1.45 0.27 0.00 0.56 0.00 0.00 36.38 35.62 3dma s VAL 58 CO 0.00 -0.45 1.78 -0.81 -0.31 0.00 0.00 175.10 175.32 3dma n PRO 59 N 0.59 0.22 -4.14 4.82 -0.04 -1.26 -0.06 135.00 135.13 3dma n PRO 59 Ca -0.16 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 3dma n PRO 59 Cb 0.57 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 3dma n PRO 59 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3dma s ASN 60 N -4.29 0.64 0.50 3.54 3.04 -1.26 -3.17 114.94 113.94 3dma s ASN 60 Ca 0.10 -1.07 -0.22 0.00 0.04 0.00 0.00 52.86 51.71 3dma s ASN 60 Cb 0.13 0.20 -0.06 0.00 -1.54 0.00 0.00 41.25 39.97 3dma s ASN 60 CO 0.56 -0.60 1.19 0.00 -3.04 0.00 0.00 177.10 175.20 3dma s ALA 61 N -3.87 2.86 0.27 1.71 0.00 -1.26 -4.59 121.76 116.88 3dma s ALA 61 Ca 0.14 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.14 3dma s ALA 61 Cb 0.07 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3dma s ALA 61 CO -0.04 -0.82 0.28 -0.59 0.00 0.00 0.00 175.76 174.59 3dma s PHE 62 N -1.56 3.19 0.76 0.00 -0.12 -1.26 -4.40 117.98 114.58 3dma s PHE 62 Ca 0.68 -0.12 -0.15 0.00 -0.05 0.00 0.00 56.93 57.29 3dma s PHE 62 Cb -0.29 -1.55 0.04 0.00 -0.63 0.00 0.00 43.02 40.59 3dma s PHE 62 CO 0.35 0.41 1.16 -2.30 -0.05 0.00 0.00 175.22 174.78 3dma n PRO 63 N -1.31 0.46 0.25 1.99 -0.02 -1.26 -4.90 135.00 130.20 3dma n PRO 63 Ca -0.07 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3dma n PRO 63 Cb 0.58 -2.40 0.66 0.00 -0.02 0.00 0.00 33.50 32.32 3dma n PRO 63 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dma h ASP 64 N -0.44 0.00 0.00 2.55 3.32 -1.98 -1.43 116.42 118.43 3dma h ASP 64 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3dma h ASP 64 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3dma h ASP 64 CO 0.47 0.14 0.00 2.22 -1.72 0.00 0.00 179.24 180.36 3dma n PHE 65 N -3.87 0.00 0.45 4.55 1.16 -1.26 -1.90 117.46 116.60 3dma n PHE 65 Ca -0.02 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.61 3dma n PHE 65 Cb 0.24 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.08 3dma n PHE 65 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3dma n LEU 66 N -0.85 0.77 0.22 5.98 4.32 -0.54 -4.28 117.00 122.62 3dma n LEU 66 Ca 0.11 -0.61 0.07 0.00 -0.02 0.00 0.00 56.01 55.56 3dma n LEU 66 Cb 0.05 0.00 0.60 0.00 -1.62 0.00 0.00 43.42 42.45 3dma n LEU 66 CO 0.08 0.17 1.08 0.11 -1.22 0.00 0.00 177.39 177.61 3dma h LYS 67 N 0.47 0.09 -5.41 3.23 1.79 -1.45 -3.47 116.57 111.82 3dma h LYS 67 Ca 0.00 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 3dma h LYS 67 Cb 0.28 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3dma h LYS 67 CO 0.00 0.06 0.16 1.67 -1.08 0.00 0.00 179.45 180.26 3dma s TRP 68 N -5.13 1.27 -0.16 -1.35 1.48 -1.26 -4.74 118.94 109.06 3dma s TRP 68 Ca -0.06 1.74 0.00 0.00 -1.06 0.00 0.00 56.10 56.72 3dma s TRP 68 Cb 0.17 -3.55 -0.00 0.00 -1.16 0.00 0.00 33.47 28.93 3dma s TRP 68 CO 0.68 -1.58 -0.15 -1.25 -4.06 0.00 0.00 176.95 170.59 3dma s PRO 70 N 8.51 3.21 0.00 3.25 0.04 -1.26 -4.96 135.00 143.79 3dma s PRO 70 Ca 0.88 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.17 3dma s PRO 70 Cb -0.11 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3dma s PRO 70 CO 0.06 0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.52 3dma n GLY 71 N 4.10 0.94 0.28 0.56 0.00 -1.26 -4.95 105.19 104.85 3dma n GLY 71 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.85 3dma n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dma h SER 72 N 0.00 0.40 0.37 1.61 4.64 -1.91 -2.18 113.55 116.48 3dma h SER 72 Ca 0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3dma h SER 72 Cb 0.00 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3dma h SER 72 CO 0.00 0.40 -0.06 0.11 -0.87 0.00 0.00 176.83 176.41 3dma h LYS 73 N 0.43 0.00 -0.02 4.77 1.57 -1.92 -2.18 116.57 119.23 3dma h LYS 73 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dma h LYS 73 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dma h LYS 73 CO -0.01 0.06 -0.08 -0.25 -0.57 0.00 0.00 179.45 178.60 3dma n ASP 74 N -3.41 1.64 -4.72 0.86 8.00 -0.82 -4.89 116.55 113.21 3dma n ASP 74 Ca -0.02 -1.44 -0.42 0.00 0.71 0.00 0.00 54.79 53.63 3dma n ASP 74 Cb 0.20 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3dma n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dma s ILE 75 N -2.14 3.13 -0.22 0.53 1.01 -0.82 -4.66 121.20 118.03 3dma s ILE 75 Ca 0.32 0.85 -0.16 0.00 0.00 0.00 0.00 60.65 61.66 3dma s ILE 75 Cb 0.20 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3dma s ILE 75 CO 0.38 0.09 0.43 -0.22 0.00 0.00 0.00 174.94 175.62 3dma s LEU 76 N 0.62 4.13 -0.33 2.97 2.96 0.18 -4.99 118.68 124.21 3dma s LEU 76 Ca 0.62 0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 54.83 3dma s LEU 76 Cb -0.38 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 43.76 3dma s LEU 76 CO 0.34 -0.13 0.73 -0.76 -1.32 0.00 0.00 176.35 175.21 3dma s LEU 77 N 1.56 4.14 0.39 -0.68 1.02 -1.26 -1.46 118.68 122.39 3dma s LEU 77 Ca 0.20 0.43 0.06 0.00 0.02 0.00 0.00 54.13 54.84 3dma s LEU 77 Cb -0.15 -2.96 0.78 0.00 0.02 0.00 0.00 46.19 43.88 3dma s LEU 77 CO 0.09 -0.62 2.03 0.22 0.02 0.00 0.00 176.35 178.08 3dma h TYR 78 N 8.30 0.58 0.00 0.29 5.03 -0.63 -2.17 116.97 128.37 3dma h TYR 78 Ca -0.25 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.06 3dma h TYR 78 Cb 1.10 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.19 3dma h TYR 78 CO 0.77 0.39 0.00 -0.40 -1.32 0.00 0.00 178.16 177.60 3dma n ASP 79 N -4.44 0.33 0.00 -2.11 5.68 -1.19 -2.75 116.55 112.06 3dma n ASP 79 Ca 0.04 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 3dma n ASP 79 Cb 0.08 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 3dma n ASP 79 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3dma n ARG 80 N -0.27 4.70 -2.68 0.11 1.74 -0.86 -4.90 116.66 114.50 3dma n ARG 80 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3dma n ARG 80 Cb 0.08 -0.45 0.04 0.00 -1.02 0.00 0.00 32.46 31.11 3dma n ARG 80 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3dma n TYR 81 N -0.10 1.01 0.01 -1.55 4.01 -0.94 -4.97 117.16 114.62 3dma n TYR 81 Ca 0.00 -2.68 -0.10 0.00 -0.16 0.00 0.00 57.90 54.96 3dma n TYR 81 Cb 0.00 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 3dma n TYR 81 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dma h GLN 82 N 2.91 -0.16 -0.10 -0.72 4.15 -1.77 0.40 115.11 119.82 3dma h GLN 82 Ca -0.11 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.36 3dma h GLN 82 Cb 1.19 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.86 3dma h GLN 82 CO 0.44 -0.11 -0.30 1.49 -1.93 0.00 0.00 178.83 178.42 3dma h GLU 83 N -0.16 -0.38 0.24 1.69 4.22 -1.93 0.51 114.58 118.77 3dma h GLU 83 Ca 0.08 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.55 3dma h GLU 83 Cb 0.28 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3dma h GLU 83 CO -0.21 -0.25 -0.22 0.35 -2.18 0.00 0.00 179.01 176.50 3dma h PHE 84 N -0.40 -0.58 -0.15 0.92 3.57 -1.90 -2.15 116.94 116.24 3dma h PHE 84 Ca 0.09 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3dma h PHE 84 Cb 0.53 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 3dma h PHE 84 CO -0.38 -0.33 -0.24 0.00 -2.23 0.00 0.00 178.31 175.13 3dma h ALA 85 N 0.20 -0.20 -0.82 2.41 0.00 0.25 -1.82 119.26 119.28 3dma h ALA 85 Ca -0.01 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.12 3dma h ALA 85 Cb 0.45 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 3dma h ALA 85 CO -0.04 -0.69 0.34 -0.44 0.00 0.00 0.00 179.25 178.42 3dma h ASP 86 N -0.29 0.31 -0.20 0.00 3.32 0.21 0.13 116.42 119.90 3dma h ASP 86 Ca 0.11 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3dma h ASP 86 Cb 0.45 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3dma h ASP 86 CO -0.32 0.07 0.10 0.11 -1.72 0.00 0.00 179.24 177.48 3dma h LYS 87 N 0.44 0.28 -0.51 3.56 1.57 -0.68 -2.92 116.57 118.31 3dma h LYS 87 Ca 0.47 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.22 3dma h LYS 87 Cb 0.79 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3dma h LYS 87 CO -0.45 0.29 0.34 -0.07 -0.57 0.00 0.00 179.45 178.98 3dma h LEU 88 N 0.20 0.58 -1.46 2.94 3.38 -0.66 -1.11 115.31 119.19 3dma h LEU 88 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dma h LEU 88 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dma h LEU 88 CO -0.01 0.42 0.00 -0.38 0.09 0.00 0.00 178.44 178.56 3dma n ILE 89 N -4.73 0.09 0.00 1.22 5.41 -0.07 -1.51 119.36 119.76 3dma n ILE 89 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3dma n ILE 89 Cb 0.02 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 3dma n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3dma n GLU 91 N 0.64 0.00 -2.25 0.38 1.02 -0.42 -4.78 120.64 115.23 3dma n GLU 91 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3dma n GLU 91 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.46 3dma n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dma s ALA 92 N 0.00 3.50 0.14 0.62 0.00 -0.57 -4.89 121.76 120.56 3dma s ALA 92 Ca 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 3dma s ALA 92 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 3dma s ALA 92 CO 0.00 -0.50 1.39 -0.44 0.00 0.00 0.00 175.76 176.20 3dma h ASP 93 N 5.23 0.82 -3.72 0.00 3.32 -1.30 -3.34 116.42 117.43 3dma h ASP 93 Ca -0.45 -0.50 -0.41 0.00 0.02 0.00 0.00 57.03 55.69 3dma h ASP 93 Cb 1.21 -0.24 -0.31 0.00 0.22 0.00 0.00 39.33 40.21 3dma h ASP 93 CO 0.76 1.27 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.09 3dma s VAL 94 N -3.86 0.67 -0.26 -1.35 1.01 -1.15 -1.10 120.40 114.36 3dma s VAL 94 Ca -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3dma s VAL 94 Cb 0.10 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.91 3dma s VAL 94 CO 0.88 0.22 -0.09 -0.63 0.00 0.00 0.00 175.10 175.48 3dma s ILE 95 N 0.35 2.39 -0.26 2.22 1.01 0.14 -1.62 121.20 125.43 3dma s ILE 95 Ca -0.05 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 58.96 3dma s ILE 95 Cb -0.09 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 3dma s ILE 95 CO 0.00 0.02 0.45 0.00 0.00 0.00 0.00 174.94 175.42 3dma s LEU 98 N 1.61 3.82 -1.05 0.00 1.02 0.26 -1.54 118.68 122.80 3dma s LEU 98 Ca 0.04 0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.28 3dma s LEU 98 Cb -0.25 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.00 3dma s LEU 98 CO 0.06 0.18 0.00 -0.67 0.02 0.00 0.00 176.35 175.94 3dma n ASP 99 N 3.47 -3.95 -3.71 2.29 2.03 -0.56 -4.13 116.55 112.00 3dma n ASP 99 Ca -0.17 0.13 -0.14 0.00 0.52 0.00 0.00 54.79 55.14 3dma n ASP 99 Cb 0.52 -2.79 -0.08 0.00 -0.72 0.00 0.00 41.12 38.06 3dma n ASP 99 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3dma s PHE 100 N -2.47 -0.26 -0.03 -0.67 -0.71 -1.26 -4.67 117.98 107.91 3dma s PHE 100 Ca 0.00 0.37 0.05 0.00 -1.04 0.00 0.00 56.93 56.30 3dma s PHE 100 Cb 0.00 0.16 0.07 0.00 -1.21 0.00 0.00 43.02 42.04 3dma s PHE 100 CO 0.00 -0.46 0.92 0.27 -1.34 0.00 0.00 175.22 174.61 3dma n ASN 101 N 1.06 1.28 -3.69 1.98 0.23 -1.26 -4.79 115.26 110.07 3dma n ASN 101 Ca -0.21 -2.02 -0.11 0.00 -0.53 0.00 0.00 54.58 51.72 3dma n ASN 101 Cb 0.57 -0.14 -0.11 0.00 -2.08 0.00 0.00 39.78 38.02 3dma n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dma s ALA 102 N -1.05 -0.97 0.58 -2.53 0.00 -1.26 -0.54 121.76 116.00 3dma s ALA 102 Ca 0.08 1.42 0.31 0.00 0.00 0.00 0.00 51.96 53.76 3dma s ALA 102 Cb 0.07 -0.95 1.36 0.00 0.00 0.00 0.00 23.12 23.59 3dma s ALA 102 CO 0.01 -0.35 1.70 -0.07 0.00 0.00 0.00 175.76 177.04 3dma h LEU 103 N 7.37 0.00 -1.10 0.00 3.38 -1.98 0.51 115.31 123.49 3dma h LEU 103 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3dma h LEU 103 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dma h LEU 103 CO 0.27 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.87 3dma h LYS 104 N 0.00 0.00 0.00 1.13 2.10 -1.99 -2.14 116.57 115.67 3dma h LYS 104 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3dma h LYS 104 Cb 2.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 3dma h LYS 104 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 3dma h ARG 105 N 0.00 0.00 -0.59 0.07 2.47 -0.39 -3.12 114.38 112.82 3dma h ARG 105 Ca 0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 3dma h ARG 105 Cb 0.39 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.57 3dma h ARG 105 CO 0.00 0.00 0.20 0.44 0.56 0.00 0.00 179.97 181.17 3dma n ILE 106 N -2.33 2.77 -0.24 2.04 -5.35 -0.80 -1.02 119.36 114.43 3dma n ILE 106 Ca 0.03 -2.10 0.00 0.00 -0.27 0.00 0.00 62.75 60.41 3dma n ILE 106 Cb 0.30 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 3dma n ILE 106 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3dma n ASP 107 N -0.75 0.00 -0.06 7.28 9.92 -1.18 -3.74 116.55 128.02 3dma n ASP 107 Ca 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 3dma n ASP 107 Cb 1.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.74 3dma n ASP 107 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3dma n GLU 108 N 0.42 0.00 0.00 -1.24 -0.58 -1.26 -4.92 120.64 113.06 3dma n GLU 108 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3dma n GLU 108 Cb 0.00 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3dma n GLU 108 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3dma n SER 110 N 0.83 0.00 0.32 1.62 3.41 -1.25 -4.69 113.62 113.87 3dma n SER 110 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 3dma n SER 110 Cb 0.22 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 3dma n SER 110 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dma h ASP 111 N 0.00 -0.91 -0.71 4.04 3.32 -1.94 0.14 116.42 120.34 3dma h ASP 111 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3dma h ASP 111 Cb 0.00 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3dma h ASP 111 CO 0.00 -0.56 0.45 -0.29 -1.72 0.00 0.00 179.24 177.12 3dma h ILE 112 N -0.88 1.20 -0.59 0.35 6.09 -1.99 -1.16 117.51 120.52 3dma h ILE 112 Ca -0.07 -0.40 -0.06 0.00 -1.37 0.00 0.00 64.86 62.97 3dma h ILE 112 Cb 0.72 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.16 3dma h ILE 112 CO 0.06 0.20 0.15 0.58 -3.07 0.00 0.00 178.15 176.06 3dma h VAL 113 N 0.97 1.25 -0.64 2.19 2.07 -1.93 -1.03 116.25 119.13 3dma h VAL 113 Ca 0.26 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3dma h VAL 113 Cb -0.07 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3dma h VAL 113 CO -0.05 0.33 0.14 0.00 0.02 0.00 0.00 177.57 178.01 3dma h ALA 114 N 1.04 1.04 0.02 1.67 0.00 -0.42 -3.21 119.26 119.40 3dma h ALA 114 Ca 0.19 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3dma h ALA 114 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dma h ALA 114 CO 0.00 0.62 -1.00 0.00 0.00 0.00 0.00 179.25 178.88 3dma h ALA 115 N 1.18 0.37 -1.97 0.00 0.00 -1.02 -3.47 119.26 114.36 3dma h ALA 115 Ca 0.20 -0.87 -0.62 0.00 0.00 0.00 0.00 54.91 53.63 3dma h ALA 115 Cb 0.36 -0.12 0.09 0.00 0.00 0.00 0.00 17.79 18.12 3dma h ALA 115 CO 0.00 1.15 0.31 0.45 0.00 0.00 0.00 179.25 181.16 3dma n SER 116 N -3.43 1.68 -0.18 0.00 2.88 -0.41 -4.87 113.62 109.28 3dma n SER 116 Ca -0.02 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.83 3dma n SER 116 Cb 0.92 -1.29 0.69 0.00 -0.75 0.00 0.00 64.21 63.78 3dma n SER 116 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dma n PRO 117 N 1.47 1.06 -1.00 -1.46 -0.04 -1.26 -4.91 135.00 128.87 3dma n PRO 117 Ca 0.12 -0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 62.89 3dma n PRO 117 Cb 0.29 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.39 3dma n PRO 117 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dma s GLY 118 N -2.19 1.90 -0.22 0.55 0.00 -1.25 -4.93 107.32 101.17 3dma s GLY 118 Ca 0.37 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 45.45 3dma s GLY 118 CO 0.40 1.05 1.21 0.50 0.00 0.00 0.00 173.10 176.27 3dma s ARG 119 N -4.45 4.15 -0.10 2.90 0.52 -0.26 -4.76 118.95 116.94 3dma s ARG 119 Ca 0.69 1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 57.25 3dma s ARG 119 Cb -0.24 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.42 3dma s ARG 119 CO 0.54 -0.81 0.21 0.15 0.02 0.00 0.00 175.30 175.41 3dma s LYS 120 N 3.62 3.64 0.00 3.54 1.02 -1.26 0.23 119.74 130.53 3dma s LYS 120 Ca 0.52 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.51 3dma s LYS 120 Cb -0.18 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 3dma s LYS 120 CO 0.15 0.70 0.00 1.51 -0.92 0.00 0.00 175.35 176.79 3dma n ILE 121 N 2.14 0.00 0.00 2.17 3.06 -0.59 -1.93 119.36 124.21 3dma n ILE 121 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3dma n ILE 121 Cb 0.54 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.72 3dma n ILE 121 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3dma n ILE 123 N 0.00 0.00 -3.65 9.51 5.41 -0.59 -0.20 119.36 129.84 3dma n ILE 123 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3dma n ILE 123 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 3dma n ILE 123 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3dma s ASP 124 N 0.00 -0.24 -0.07 4.38 2.15 -0.69 -1.49 116.67 120.71 3dma s ASP 124 Ca 0.00 -0.35 0.10 0.00 0.43 0.00 0.00 52.55 52.73 3dma s ASP 124 Cb 0.00 0.49 0.15 0.00 -0.30 0.00 0.00 42.92 43.26 3dma s ASP 124 CO 0.00 -0.88 1.04 0.00 -0.17 0.00 0.00 175.17 175.16 3dma n HIS 125 N -0.24 0.00 -2.66 -5.34 1.44 -1.26 -2.04 115.22 105.12 3dma n HIS 125 Ca -0.15 -0.63 -0.29 0.00 -2.01 0.00 0.00 57.72 54.64 3dma n HIS 125 Cb 0.64 -0.10 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 3dma n HIS 125 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3dma s HIS 126 N -1.71 3.53 0.39 -1.40 3.76 -1.26 -3.90 115.29 114.70 3dma s HIS 126 Ca 0.17 0.95 -0.18 0.00 -0.15 0.00 0.00 55.06 55.86 3dma s HIS 126 Cb 0.15 -2.40 -0.10 0.00 1.11 0.00 0.00 32.58 31.34 3dma s HIS 126 CO 0.02 -0.24 0.85 -0.51 -0.85 0.00 0.00 174.74 174.00 3dma s LEU 127 N -4.41 3.96 -0.61 0.89 1.02 -1.26 -4.57 118.68 113.71 3dma s LEU 127 Ca 0.50 1.48 -0.01 0.00 0.02 0.00 0.00 54.13 56.11 3dma s LEU 127 Cb -0.10 -4.32 -0.01 0.00 0.02 0.00 0.00 46.19 41.78 3dma s LEU 127 CO 0.40 -0.32 0.56 -1.22 0.02 0.00 0.00 176.35 175.80 3dma n TYR 128 N -0.64 -2.15 -2.70 0.29 4.01 -1.26 -5.02 117.16 109.69 3dma n TYR 128 Ca 0.05 0.81 -0.34 0.00 -0.16 0.00 0.00 57.90 58.26 3dma n TYR 128 Cb 0.54 -3.52 -0.06 0.00 -0.31 0.00 0.00 39.34 35.99 3dma n TYR 128 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3dma s PRO 129 N -3.23 4.14 0.62 -0.72 0.04 -1.26 -4.90 135.00 129.69 3dma s PRO 129 Ca 0.08 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 3dma s PRO 129 Cb -0.01 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.31 3dma s PRO 129 CO 0.56 -0.12 0.89 -1.21 0.04 0.00 0.00 177.00 177.15 3dma s GLU 130 N -2.98 2.37 -0.52 4.56 2.02 0.30 -5.02 118.70 119.43 3dma s GLU 130 Ca 0.62 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 55.07 3dma s GLU 130 Cb -0.14 -2.34 0.49 0.00 0.10 0.00 0.00 34.13 32.24 3dma s GLU 130 CO 0.18 -0.97 1.78 -0.40 0.02 0.00 0.00 175.26 175.87 3dma n ASP 131 N -2.61 5.97 0.00 -0.19 5.68 -1.26 -4.62 116.55 119.51 3dma n ASP 131 Ca 0.08 -3.76 0.14 0.00 -0.50 0.00 0.00 54.79 50.76 3dma n ASP 131 Cb 0.60 -0.78 0.70 0.00 -1.14 0.00 0.00 41.12 40.49 3dma n ASP 131 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3dma n PHE 132 N -0.93 0.00 -4.03 2.11 -1.74 -1.26 -4.81 117.46 106.81 3dma n PHE 132 Ca 0.55 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 57.14 3dma n PHE 132 Cb 0.91 -0.37 -0.06 0.00 1.52 0.00 0.00 39.48 41.49 3dma n PHE 132 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3dma h ARG 134 N 3.17 0.06 -4.84 0.00 9.65 -1.70 -3.42 114.38 117.30 3dma h ARG 134 Ca -0.46 -0.09 -0.63 0.00 -1.10 0.00 0.00 59.98 57.69 3dma h ARG 134 Cb 1.17 0.03 -0.36 0.00 -1.39 0.00 0.00 29.97 29.42 3dma h ARG 134 CO 0.68 1.01 -0.84 0.42 2.80 0.00 0.00 179.97 184.04 3dma s ILE 135 N -2.78 1.80 -0.20 1.20 1.01 -1.10 -5.06 121.20 116.08 3dma s ILE 135 Ca -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3dma s ILE 135 Cb 0.10 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.89 3dma s ILE 135 CO 0.83 0.47 -0.11 -0.89 0.00 0.00 0.00 174.94 175.23 3dma s THR 136 N 1.39 2.81 -0.53 2.92 2.01 -1.26 -4.30 115.64 118.67 3dma s THR 136 Ca 0.04 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.36 3dma s THR 136 Cb -0.13 -2.24 0.14 0.00 0.01 0.00 0.00 72.50 70.27 3dma s THR 136 CO -0.11 0.47 0.31 -0.63 -0.69 0.00 0.00 174.62 173.97 3dma s ILE 137 N 1.37 3.09 -0.31 1.82 1.01 -1.26 -5.04 121.20 121.88 3dma s ILE 137 Ca 0.05 -2.96 0.02 0.00 0.00 0.00 0.00 60.65 57.76 3dma s ILE 137 Cb -0.14 -3.09 0.08 0.00 0.01 0.00 0.00 42.46 39.32 3dma s ILE 137 CO -0.07 -0.80 -0.00 -0.55 0.00 0.00 0.00 174.94 173.52 3dma s SER 138 N 0.43 4.74 -0.57 3.58 0.15 -1.26 -1.70 113.70 119.07 3dma s SER 138 Ca 0.16 -1.68 0.04 0.00 0.70 0.00 0.00 55.95 55.16 3dma s SER 138 Cb -0.23 -1.64 0.16 0.00 -1.71 0.00 0.00 66.02 62.60 3dma s SER 138 CO -0.03 -0.30 0.39 -1.00 1.20 0.00 0.00 173.24 173.50 3dma s HIS 139 N 1.07 2.61 -0.14 3.44 3.76 -0.87 -4.94 115.29 120.23 3dma s HIS 139 Ca -0.00 -2.90 0.25 0.00 -0.15 0.00 0.00 55.06 52.26 3dma s HIS 139 Cb -0.20 -2.11 1.28 0.00 1.11 0.00 0.00 32.58 32.67 3dma s HIS 139 CO -0.05 -0.68 1.75 -1.35 -0.85 0.00 0.00 174.74 173.57 3dma h PRO 140 N 5.78 0.00 0.00 8.40 0.11 -1.81 -0.54 132.00 143.95 3dma h PRO 140 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3dma h PRO 140 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3dma h PRO 140 CO 0.58 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 3dma n GLU 141 N -2.36 0.26 -3.64 1.05 0.00 -1.26 -4.70 120.64 109.98 3dma n GLU 141 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.78 3dma n GLU 141 Cb 0.07 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.95 3dma n GLU 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3dma s ILE 142 N -2.74 5.25 -0.38 3.84 -1.09 -0.21 -5.00 121.20 120.88 3dma s ILE 142 Ca 0.23 0.56 0.26 0.00 -2.23 0.00 0.00 60.65 59.47 3dma s ILE 142 Cb 0.20 -3.59 0.28 0.00 -1.58 0.00 0.00 42.46 37.77 3dma s ILE 142 CO 0.48 0.56 1.77 0.77 -1.23 0.00 0.00 174.94 177.29 3dma h SER 143 N 5.19 0.00 -5.10 3.58 4.64 -1.84 -3.46 113.55 116.56 3dma h SER 143 Ca -0.51 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 3dma h SER 143 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 3dma h SER 143 CO 0.63 0.00 -0.03 -0.94 -0.87 0.00 0.00 176.83 175.62 3dma s SER 144 N -4.60 -0.23 0.10 4.97 1.04 -1.26 -4.74 113.70 108.98 3dma s SER 144 Ca 0.04 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 3dma s SER 144 Cb 0.09 0.53 -0.19 0.00 0.10 0.00 0.00 66.02 66.56 3dma s SER 144 CO 0.45 -0.96 1.22 0.74 0.98 0.00 0.00 173.24 175.67 3dma h THR 145 N 2.28 1.45 -0.82 2.02 2.02 -1.89 -3.20 112.91 114.78 3dma h THR 145 Ca -0.31 -2.77 0.13 0.00 0.77 0.00 0.00 66.41 64.23 3dma h THR 145 Cb 1.26 2.69 -0.09 0.00 -1.74 0.00 0.00 68.15 70.28 3dma h THR 145 CO 0.42 0.81 0.43 0.28 0.37 0.00 0.00 175.52 177.83 3dma h SER 146 N 0.14 0.54 -0.32 4.18 0.02 -1.88 0.03 113.55 116.27 3dma h SER 146 Ca -0.11 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3dma h SER 146 Cb 1.78 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.28 3dma h SER 146 CO 0.18 0.26 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.98 3dma h GLU 147 N 0.65 0.73 -0.15 3.45 4.81 -1.84 -1.37 114.58 120.86 3dma h GLU 147 Ca 0.43 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 3dma h GLU 147 Cb 0.54 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3dma h GLU 147 CO -0.32 0.80 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.25 3dma h LEU 148 N 0.67 0.37 -0.44 1.64 3.38 -1.06 0.15 115.31 120.02 3dma h LEU 148 Ca 0.12 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3dma h LEU 148 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dma h LEU 148 CO 0.03 0.77 -0.08 0.58 0.09 0.00 0.00 178.44 179.82 3dma h VAL 149 N 0.29 1.27 -0.09 1.22 2.07 -0.78 -0.26 116.25 119.97 3dma h VAL 149 Ca 0.02 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 3dma h VAL 149 Cb 0.89 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3dma h VAL 149 CO 0.07 0.40 0.05 0.15 0.02 0.00 0.00 177.57 178.26 3dma h PHE 150 N 0.66 0.13 -0.07 1.57 3.04 -0.96 -1.95 116.94 119.36 3dma h PHE 150 Ca 0.11 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.08 3dma h PHE 150 Cb 0.61 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 3dma h PHE 150 CO 0.05 0.18 -0.05 0.00 -2.02 0.00 0.00 178.31 176.47 3dma h ARG 151 N 0.04 -0.05 -0.38 1.11 3.08 -0.84 -1.50 114.38 115.84 3dma h ARG 151 Ca 0.03 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3dma h ARG 151 Cb 0.10 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3dma h ARG 151 CO -0.00 -0.03 0.08 1.25 -1.07 0.00 0.00 179.97 180.19 3dma h LEU 152 N -0.05 0.03 -1.20 3.04 5.85 -0.94 0.24 115.31 122.27 3dma h LEU 152 Ca 0.05 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3dma h LEU 152 Cb 0.12 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3dma h LEU 152 CO -0.10 0.05 0.05 0.40 -0.34 0.00 0.00 178.44 178.50 3dma h ILE 153 N 0.21 1.20 -0.06 4.05 2.04 -1.21 -2.92 117.51 120.82 3dma h ILE 153 Ca 0.18 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3dma h ILE 153 Cb 0.21 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3dma h ILE 153 CO -0.23 0.27 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 3dma n ARG 155 N -4.67 0.00 0.00 0.00 5.12 0.74 -3.99 116.66 113.86 3dma n ARG 155 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3dma n ARG 155 Cb 0.34 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3dma n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dma n GLY 157 N 1.98 -1.98 2.06 -0.13 0.00 -1.21 -5.10 105.19 100.82 3dma n GLY 157 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3dma n GLY 157 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dma n TYR 158 N 0.00 2.71 -0.35 1.61 4.01 -0.76 -4.60 117.16 119.77 3dma n TYR 158 Ca 0.00 -1.62 0.10 0.00 -0.16 0.00 0.00 57.90 56.22 3dma n TYR 158 Cb 0.46 -0.83 0.29 0.00 -0.31 0.00 0.00 39.34 38.95 3dma n TYR 158 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3dma h PHE 159 N 1.52 1.10 0.00 -0.72 3.57 -1.80 -0.20 116.94 120.41 3dma h PHE 159 Ca 0.49 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 3dma h PHE 159 Cb 2.60 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 41.00 3dma h PHE 159 CO 1.45 0.33 -0.05 0.66 -2.23 0.00 0.00 178.31 178.48 3dma h SER 160 N 0.87 0.00 -0.48 0.41 4.64 -1.95 -2.38 113.55 114.66 3dma h SER 160 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3dma h SER 160 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3dma h SER 160 CO -0.32 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.15 3dma n ASP 161 N -3.36 2.78 -4.55 4.97 8.00 -0.09 -4.78 116.55 119.52 3dma n ASP 161 Ca -0.02 -2.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.00 3dma n ASP 161 Cb 0.19 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 3dma n ASP 161 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dma s ILE 162 N -1.44 4.95 0.78 0.53 1.01 -0.90 -4.72 121.20 121.41 3dma s ILE 162 Ca 0.33 0.34 -0.10 0.00 0.00 0.00 0.00 60.65 61.22 3dma s ILE 162 Cb 0.18 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.69 3dma s ILE 162 CO 0.21 -0.32 1.13 -0.94 0.00 0.00 0.00 174.94 175.02 3dma s SER 163 N 1.81 4.61 0.26 3.58 1.04 -1.26 -4.83 113.70 118.91 3dma s SER 163 Ca 0.21 0.68 -0.03 0.00 0.48 0.00 0.00 55.95 57.29 3dma s SER 163 Cb -0.15 -1.23 0.43 0.00 0.10 0.00 0.00 66.02 65.17 3dma s SER 163 CO 0.15 -1.80 1.83 0.50 0.98 0.00 0.00 173.24 174.89 3dma h LYS 164 N -0.91 0.89 -0.39 4.02 3.64 -1.97 0.16 116.57 122.00 3dma h LYS 164 Ca -0.45 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 3dma h LYS 164 Cb 1.32 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3dma h LYS 164 CO 0.64 0.59 -0.05 0.93 -2.27 0.00 0.00 179.45 179.29 3dma h GLU 165 N 0.92 0.73 -0.64 1.90 5.08 -1.93 -0.71 114.58 119.93 3dma h GLU 165 Ca 0.43 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3dma h GLU 165 Cb 0.35 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3dma h GLU 165 CO -0.23 0.85 0.16 0.78 -1.00 0.00 0.00 179.01 179.56 3dma h GLY 166 N 0.55 1.08 1.88 -3.84 0.00 -1.66 -2.19 103.07 98.88 3dma h GLY 166 Ca 0.11 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 3dma h GLY 166 CO 0.03 0.61 -0.35 0.00 0.00 0.00 0.00 176.54 176.83 3dma h ALA 167 N 1.21 1.28 -0.48 3.60 0.00 -0.48 -1.51 119.26 122.87 3dma h ALA 167 Ca 0.21 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3dma h ALA 167 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dma h ALA 167 CO -0.00 0.50 -0.20 0.93 0.00 0.00 0.00 179.25 180.49 3dma h GLU 168 N 0.12 0.98 -0.24 0.00 5.08 -0.61 -1.61 114.58 118.31 3dma h GLU 168 Ca 0.01 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 3dma h GLU 168 Cb 0.68 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3dma h GLU 168 CO 0.05 1.09 -0.21 0.00 -1.00 0.00 0.00 179.01 178.94 3dma h ILE 170 N 0.26 1.19 -0.60 0.00 2.04 -1.28 -2.67 117.51 116.46 3dma h ILE 170 Ca 0.04 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3dma h ILE 170 Cb 0.76 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3dma h ILE 170 CO 0.05 0.22 0.36 0.22 0.00 0.00 0.00 178.15 179.00 3dma h TYR 171 N 0.57 0.79 -0.83 1.37 3.20 -1.26 -2.70 116.97 118.11 3dma h TYR 171 Ca 0.15 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.14 3dma h TYR 171 Cb 0.16 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.09 3dma h TYR 171 CO -0.00 0.54 0.44 1.15 -1.64 0.00 0.00 178.16 178.64 3dma h THR 172 N 0.81 0.79 -0.05 1.81 2.02 -1.07 -3.41 112.91 113.82 3dma h THR 172 Ca 0.21 -0.23 -0.58 0.00 0.77 0.00 0.00 66.41 66.58 3dma h THR 172 Cb -0.01 0.07 0.07 0.00 -1.74 0.00 0.00 68.15 66.53 3dma h THR 172 CO -0.04 0.12 1.85 0.61 0.37 0.00 0.00 175.52 178.43 3dma n GLY 173 N -1.32 1.76 4.81 2.16 0.00 -1.02 -4.57 105.19 107.01 3dma n GLY 173 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3dma n GLY 173 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dma n THR 176 N 6.55 0.00 0.50 2.61 -1.04 -1.26 -4.38 114.28 117.26 3dma n THR 176 Ca 0.48 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.61 3dma n THR 176 Cb 0.42 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.38 3dma n THR 176 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3dma n ASP 177 N 1.72 0.58 -0.84 8.00 2.03 -1.26 -2.61 116.55 124.17 3dma n ASP 177 Ca 0.00 0.61 0.07 0.00 0.52 0.00 0.00 54.79 56.00 3dma n ASP 177 Cb 0.00 -0.75 0.22 0.00 -0.72 0.00 0.00 41.12 39.87 3dma n ASP 177 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3dma n THR 178 N -2.11 1.70 -3.61 5.18 -2.24 -1.26 -4.97 114.28 106.97 3dma n THR 178 Ca 0.03 -1.44 -0.23 0.00 -2.27 0.00 0.00 64.05 60.15 3dma n THR 178 Cb 0.28 0.10 0.07 0.00 -2.10 0.00 0.00 70.33 68.68 3dma n THR 178 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dma n GLY 179 N 0.07 -0.47 2.25 3.38 0.00 -1.07 -1.46 105.19 107.88 3dma n GLY 179 Ca 0.17 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 3dma n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dma n GLY 180 N -1.71 0.27 3.56 -0.02 0.00 -1.26 -3.67 105.19 102.37 3dma n GLY 180 Ca -0.09 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 3dma n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dma n PHE 181 N -3.64 -2.17 0.00 1.61 3.72 -0.83 -4.90 117.46 111.25 3dma n PHE 181 Ca -0.03 0.91 0.00 0.00 -0.05 0.00 0.00 57.45 58.28 3dma n PHE 181 Cb 0.54 -4.79 0.00 0.00 -0.94 0.00 0.00 39.48 34.29 3dma n PHE 181 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3dma n THR 182 N -4.29 0.00 -3.79 4.37 -2.24 -0.53 -4.91 114.28 102.89 3dma n THR 182 Ca -0.25 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 60.96 3dma n THR 182 Cb 0.65 0.98 -0.16 0.00 -2.10 0.00 0.00 70.33 69.70 3dma n THR 182 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dma s TYR 183 N -0.92 0.05 -1.46 4.78 6.14 -0.79 -4.87 117.35 120.28 3dma s TYR 183 Ca 0.00 0.11 -0.08 0.00 0.64 0.00 0.00 57.07 57.74 3dma s TYR 183 Cb 0.00 -0.24 0.03 0.00 0.42 0.00 0.00 41.96 42.17 3dma s TYR 183 CO 0.00 -0.09 0.83 -1.71 0.64 0.00 0.00 175.55 175.23 3dma n ASN 184 N 4.10 -5.69 -0.26 4.32 5.15 -1.26 -4.55 115.26 117.07 3dma n ASN 184 Ca -0.27 -0.46 0.08 0.00 -0.60 0.00 0.00 54.58 53.33 3dma n ASN 184 Cb 0.51 -4.56 0.14 0.00 -0.53 0.00 0.00 39.78 35.34 3dma n ASN 184 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3dma n SER 185 N -2.70 1.97 0.19 1.20 3.41 -1.26 -4.72 113.62 111.72 3dma n SER 185 Ca -0.04 -3.14 0.14 0.00 -0.26 0.00 0.00 58.87 55.57 3dma n SER 185 Cb 0.58 -0.43 0.60 0.00 -0.26 0.00 0.00 64.21 64.70 3dma n SER 185 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3dma h ASN 186 N 0.24 0.00 -2.69 4.04 2.35 -1.97 -3.45 115.58 114.11 3dma h ASN 186 Ca -0.01 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.20 3dma h ASN 186 Cb 1.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.44 3dma h ASN 186 CO 0.00 0.00 1.01 0.21 -1.65 0.00 0.00 177.43 177.00 3dma s ASN 187 N -4.70 6.66 0.39 5.81 3.84 -1.26 -4.91 114.94 120.77 3dma s ASN 187 Ca 0.02 2.34 0.12 0.00 0.21 0.00 0.00 52.86 55.55 3dma s ASN 187 Cb 0.09 -2.55 0.92 0.00 -0.55 0.00 0.00 41.25 39.16 3dma s ASN 187 CO 0.42 -0.88 1.90 0.03 -2.79 0.00 0.00 177.10 175.78 3dma h ARG 188 N 8.72 0.55 0.00 0.43 3.08 -2.03 -2.33 114.38 122.80 3dma h ARG 188 Ca -0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3dma h ARG 188 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3dma h ARG 188 CO 0.93 0.36 0.00 0.39 -1.07 0.00 0.00 179.97 180.59 3dma n GLU 189 N -4.52 0.18 -0.14 0.04 1.02 -1.26 -2.53 120.64 113.43 3dma n GLU 189 Ca 0.15 0.46 -0.10 0.00 -0.02 0.00 0.00 57.16 57.66 3dma n GLU 189 Cb 0.48 -1.89 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 3dma n GLU 189 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3dma h ILE 190 N 0.00 1.26 0.00 -3.67 2.04 -1.79 -2.61 117.51 112.74 3dma h ILE 190 Ca 0.00 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 3dma h ILE 190 Cb 0.30 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3dma h ILE 190 CO 0.00 0.34 -0.45 1.88 0.00 0.00 0.00 178.15 179.92 3dma h TYR 191 N 0.56 0.00 -0.29 1.37 0.05 -1.67 -0.52 116.97 116.47 3dma h TYR 191 Ca 0.12 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.72 3dma h TYR 191 Cb 0.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3dma h TYR 191 CO 0.03 0.45 -0.53 0.35 -1.05 0.00 0.00 178.16 177.41 3dma h PHE 192 N 0.00 1.08 -0.58 4.88 3.57 -1.55 -1.53 116.94 122.80 3dma h PHE 192 Ca -0.00 -0.38 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 3dma h PHE 192 Cb 0.99 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3dma h PHE 192 CO 0.00 1.21 0.12 0.82 -2.23 0.00 0.00 178.31 178.23 3dma h ILE 193 N 0.67 1.25 -0.72 1.41 2.04 -1.08 -0.57 117.51 120.51 3dma h ILE 193 Ca 0.02 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3dma h ILE 193 Cb 1.14 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3dma h ILE 193 CO 0.12 0.35 0.48 0.40 0.00 0.00 0.00 178.15 179.49 3dma h ILE 194 N 0.85 1.19 -1.00 -0.67 2.04 -1.00 -0.20 117.51 118.73 3dma h ILE 194 Ca 0.18 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3dma h ILE 194 Cb 0.38 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 3dma h ILE 194 CO 0.01 0.18 0.65 -1.28 0.00 0.00 0.00 178.15 177.71 3dma h SER 195 N 0.98 1.16 -0.61 1.72 0.87 -0.71 -0.89 113.55 116.07 3dma h SER 195 Ca 0.26 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3dma h SER 195 Cb -0.11 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.54 3dma h SER 195 CO -0.06 0.85 0.11 -0.33 -0.53 0.00 0.00 176.83 176.87 3dma h GLU 196 N 1.36 1.03 -0.40 2.24 4.39 0.12 -2.28 114.58 121.04 3dma h GLU 196 Ca 0.36 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 3dma h GLU 196 Cb -0.14 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 3dma h GLU 196 CO -0.08 0.94 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.37 3dma h LEU 197 N 0.97 0.87 -1.46 1.33 3.38 -0.56 -2.77 115.31 117.06 3dma h LEU 197 Ca 0.20 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3dma h LEU 197 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dma h LEU 197 CO 0.01 1.08 -0.27 -0.07 0.09 0.00 0.00 178.44 179.28 3dma h LEU 198 N 0.72 0.00 0.00 1.67 3.38 -0.94 0.06 115.31 120.19 3dma h LEU 198 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dma h LEU 198 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3dma h LEU 198 CO 0.07 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.33 3dma n SER 199 N -4.22 0.00 -0.53 -0.43 3.41 -0.88 -1.31 113.62 109.66 3dma n SER 199 Ca -0.02 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3dma n SER 199 Cb 0.32 -0.47 0.46 0.00 -0.26 0.00 0.00 64.21 64.26 3dma n SER 199 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dma n LYS 200 N -1.47 1.73 -0.21 4.33 4.76 0.01 -4.93 118.16 122.36 3dma n LYS 200 Ca 0.04 -1.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.42 3dma n LYS 200 Cb 0.18 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3dma n LYS 200 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dma n GLY 201 N 1.18 0.79 3.82 0.72 0.00 -0.43 -4.20 105.19 107.07 3dma n GLY 201 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3dma n GLY 201 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dma s ILE 202 N -2.15 4.06 -0.43 -0.61 -4.36 -1.25 -5.01 121.20 111.44 3dma s ILE 202 Ca 0.00 0.68 -0.01 0.00 -0.26 0.00 0.00 60.65 61.07 3dma s ILE 202 Cb 0.00 -3.42 0.12 0.00 1.25 0.00 0.00 42.46 40.40 3dma s ILE 202 CO 0.00 -0.86 0.20 -0.62 0.24 0.00 0.00 174.94 173.90 3dma s ASP 203 N -3.76 5.05 0.41 4.36 -1.08 -1.26 -4.83 116.67 115.55 3dma s ASP 203 Ca 0.58 -2.27 0.15 0.00 -0.52 0.00 0.00 52.55 50.49 3dma s ASP 203 Cb -0.14 -1.77 0.88 0.00 -1.46 0.00 0.00 42.92 40.44 3dma s ASP 203 CO 0.54 -0.45 1.90 0.07 0.52 0.00 0.00 175.17 177.75 3dma h LYS 204 N 7.66 0.00 -0.37 4.34 2.10 -1.99 -2.37 116.57 125.94 3dma h LYS 204 Ca -0.09 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.41 3dma h LYS 204 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 3dma h LYS 204 CO 0.65 0.28 -0.37 -0.44 -2.00 0.00 0.00 179.45 177.58 3dma h ASP 205 N 0.00 0.91 -0.14 7.07 3.32 -2.00 -1.96 116.42 123.63 3dma h ASP 205 Ca -0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.54 3dma h ASP 205 Cb 0.52 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3dma h ASP 205 CO 0.04 1.18 -0.26 -0.78 -1.72 0.00 0.00 179.24 177.70 3dma h ASP 206 N 0.71 0.61 -0.64 6.45 3.58 -1.92 -2.21 116.42 123.00 3dma h ASP 206 Ca 0.06 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.22 3dma h ASP 206 Cb 0.94 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 3dma h ASP 206 CO 0.09 0.85 0.10 0.40 -2.88 0.00 0.00 179.24 177.79 3dma h ILE 207 N 0.52 1.26 -0.07 2.25 2.04 -1.28 -1.09 117.51 121.15 3dma h ILE 207 Ca 0.07 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3dma h ILE 207 Cb 0.72 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3dma h ILE 207 CO 0.06 0.39 0.02 0.22 0.00 0.00 0.00 178.15 178.83 3dma h TYR 208 N 1.01 0.04 -0.77 1.37 3.20 -1.06 -2.60 116.97 118.16 3dma h TYR 208 Ca 0.20 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3dma h TYR 208 Cb 0.44 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3dma h TYR 208 CO 0.03 0.02 0.40 0.00 -1.64 0.00 0.00 178.16 176.97 3dma h ARG 209 N 0.05 1.09 -0.16 1.82 3.08 -1.13 -0.02 114.38 119.12 3dma h ARG 209 Ca 0.03 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3dma h ARG 209 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3dma h ARG 209 CO -0.03 0.83 -0.06 0.87 -1.07 0.00 0.00 179.97 180.50 3dma h LYS 210 N 1.08 0.24 0.10 0.04 1.57 -1.07 0.38 116.57 118.91 3dma h LYS 210 Ca 0.27 -0.04 -0.37 0.00 -1.87 0.00 0.00 60.65 58.64 3dma h LYS 210 Cb 0.07 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3dma h LYS 210 CO -0.04 0.32 -2.08 0.28 -0.57 0.00 0.00 179.45 177.36 3dma n VAL 211 N -4.33 1.73 0.06 0.50 0.31 -0.99 -4.59 118.33 111.02 3dma n VAL 211 Ca -0.01 -0.65 0.08 0.00 -0.01 0.00 0.00 64.34 63.76 3dma n VAL 211 Cb 0.22 -1.67 -0.12 0.00 -0.91 0.00 0.00 33.84 31.36 3dma n VAL 211 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3dma n TYR 212 N -3.44 0.00 -2.10 3.52 4.01 -0.04 -4.61 117.16 114.51 3dma n TYR 212 Ca -0.34 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.10 3dma n TYR 212 Cb 1.04 -0.32 0.02 0.00 -0.31 0.00 0.00 39.34 39.77 3dma n TYR 212 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3dma n ASN 213 N -1.97 5.73 -3.38 7.72 5.03 0.12 -4.86 115.26 123.64 3dma n ASN 213 Ca -0.02 -3.76 -0.26 0.00 0.87 0.00 0.00 54.58 51.41 3dma n ASN 213 Cb 0.39 -0.62 -0.10 0.00 -1.02 0.00 0.00 39.78 38.43 3dma n ASN 213 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3dma s THR 214 N -5.11 0.12 -0.13 3.41 -4.23 -1.24 -4.83 115.64 103.63 3dma s THR 214 Ca 0.52 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.71 3dma s THR 214 Cb 0.43 -1.07 0.12 0.00 1.34 0.00 0.00 72.50 73.31 3dma s THR 214 CO -0.15 -1.01 0.96 -0.72 -0.54 0.00 0.00 174.62 173.15 3dma s TYR 215 N 0.65 -0.39 0.76 3.99 -0.85 -1.26 -4.86 117.35 115.38 3dma s TYR 215 Ca 0.25 0.60 -0.17 0.00 -0.52 0.00 0.00 57.07 57.23 3dma s TYR 215 Cb -0.09 0.46 -0.14 0.00 0.38 0.00 0.00 41.96 42.57 3dma s TYR 215 CO -0.09 -0.39 -0.39 -1.13 -1.52 0.00 0.00 175.55 172.03 3dma n SER 216 N 0.58 -4.58 0.10 -0.18 3.41 -1.26 -4.85 113.62 106.84 3dma n SER 216 Ca -0.11 0.43 -0.03 0.00 -0.26 0.00 0.00 58.87 58.90 3dma n SER 216 Cb 0.58 -0.84 0.01 0.00 -0.26 0.00 0.00 64.21 63.71 3dma n SER 216 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3dma h GLU 217 N -0.52 0.00 -0.44 4.33 4.11 -2.02 -2.99 114.58 117.06 3dma h GLU 217 Ca -0.43 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.88 3dma h GLU 217 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3dma h GLU 217 CO 0.33 0.79 -0.22 0.66 0.07 0.00 0.00 179.01 180.64 3dma h SER 218 N 0.00 0.91 -0.58 3.06 4.64 -1.91 -0.73 113.55 118.94 3dma h SER 218 Ca -0.01 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 3dma h SER 218 Cb 1.47 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 3dma h SER 218 CO 0.10 1.09 0.20 -0.09 -0.87 0.00 0.00 176.83 177.26 3dma h ARG 219 N 0.77 0.93 -0.11 4.77 2.43 -1.84 0.24 114.38 121.57 3dma h ARG 219 Ca 0.10 -0.18 -0.19 0.00 -0.81 0.00 0.00 59.98 58.91 3dma h ARG 219 Cb 0.77 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3dma h ARG 219 CO 0.06 0.80 -0.70 1.25 -1.51 0.00 0.00 179.97 179.87 3dma h LEU 220 N 0.91 0.58 -0.79 3.80 5.85 -1.36 -2.87 115.31 121.43 3dma h LEU 220 Ca 0.20 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.43 3dma h LEU 220 Cb 0.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3dma h LEU 220 CO -0.01 1.11 -0.52 -0.09 -0.34 0.00 0.00 178.44 178.59 3dma h ARG 221 N 0.34 0.23 -0.91 1.25 2.43 -0.73 -1.33 114.38 115.66 3dma h ARG 221 Ca -0.03 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3dma h ARG 221 Cb 1.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3dma h ARG 221 CO 0.13 0.69 0.00 -0.11 -1.51 0.00 0.00 179.97 179.17 3dma n LEU 222 N -3.94 0.38 0.00 3.80 7.94 0.81 -0.94 117.00 125.05 3dma n LEU 222 Ca -0.02 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 3dma n LEU 222 Cb 0.55 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.40 3dma n LEU 222 CO 0.43 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 3dma n GLY 224 N 0.62 0.00 0.28 -3.96 0.00 -0.50 -1.66 105.19 99.97 3dma n GLY 224 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3dma n GLY 224 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dma h TYR 225 N 0.00 -0.64 -1.00 1.61 3.20 -1.32 -1.90 116.97 116.93 3dma h TYR 225 Ca 0.00 -0.02 0.35 0.00 3.14 0.00 0.00 58.73 62.20 3dma h TYR 225 Cb 0.00 0.21 -0.16 0.00 1.54 0.00 0.00 36.73 38.32 3dma h TYR 225 CO 0.00 -0.40 0.54 0.28 -1.64 0.00 0.00 178.16 176.95 3dma h VAL 226 N -0.84 0.21 -0.15 1.81 2.07 -1.60 0.24 116.25 117.98 3dma h VAL 226 Ca -0.07 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3dma h VAL 226 Cb 0.53 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3dma h VAL 226 CO 0.12 0.04 -0.14 -0.07 0.02 0.00 0.00 177.57 177.54 3dma h LEU 227 N 0.22 0.38 -1.81 2.57 3.38 -1.81 -3.08 115.31 115.16 3dma h LEU 227 Ca 0.76 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 58.39 3dma h LEU 227 Cb 1.82 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 3dma h LEU 227 CO -0.66 0.77 0.38 0.28 0.09 0.00 0.00 178.44 179.30 3dma h SER 228 N -0.01 0.19 -3.35 -0.43 0.02 0.29 -3.46 113.55 106.79 3dma h SER 228 Ca 0.02 0.01 -0.77 0.00 -0.84 0.00 0.00 61.79 60.21 3dma h SER 228 Cb 0.66 -0.03 -0.25 0.00 0.14 0.00 0.00 62.40 62.92 3dma h SER 228 CO 0.03 0.11 -0.13 0.20 -1.14 0.00 0.00 176.83 175.90 3dma s ASN 229 N -6.23 6.33 -0.29 3.07 0.02 -0.76 -5.11 114.94 111.97 3dma s ASN 229 Ca -0.06 -2.09 -0.12 0.00 -1.02 0.00 0.00 52.86 49.56 3dma s ASN 229 Cb 0.20 -2.20 0.12 0.00 0.02 0.00 0.00 41.25 39.39 3dma s ASN 229 CO 0.74 -0.75 0.71 -0.75 0.02 0.00 0.00 177.10 177.06 3dma s LYS 231 N 1.11 0.57 -0.26 -0.60 2.36 0.03 -4.82 119.74 118.13 3dma s LYS 231 Ca 0.08 1.30 -0.06 0.00 -2.55 0.00 0.00 55.97 54.74 3dma s LYS 231 Cb -0.23 0.62 -0.00 0.00 -1.05 0.00 0.00 37.83 37.16 3dma s LYS 231 CO -0.01 -0.17 0.04 0.08 1.55 0.00 0.00 175.35 176.83 3dma s VAL 232 N 2.47 3.79 -1.22 4.02 1.01 -1.26 -0.21 120.40 129.00 3dma s VAL 232 Ca -0.07 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 3dma s VAL 232 Cb -0.09 -2.87 0.11 0.00 0.00 0.00 0.00 36.38 33.53 3dma s VAL 232 CO -0.19 0.22 1.56 -0.31 0.00 0.00 0.00 175.10 176.38 3dma s TYR 233 N 1.50 3.04 0.57 5.22 1.51 -0.37 -4.85 117.35 123.98 3dma s TYR 233 Ca 0.04 -1.73 0.46 0.00 -1.01 0.00 0.00 57.07 54.83 3dma s TYR 233 Cb -0.16 -4.56 1.58 0.00 -0.11 0.00 0.00 41.96 38.71 3dma s TYR 233 CO 0.01 -1.65 1.52 -0.22 -1.11 0.00 0.00 175.55 174.09 3dma h LYS 234 N 7.70 0.00 -0.01 -0.62 3.64 -1.96 0.20 116.57 125.51 3dma h LYS 234 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3dma h LYS 234 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3dma h LYS 234 CO 1.36 0.00 -0.48 -3.47 -2.27 0.00 0.00 179.45 174.59 3dma n ASP 235 N -3.80 1.74 -0.39 4.20 2.03 -1.26 -4.17 116.55 114.91 3dma n ASP 235 Ca 0.41 -1.34 0.04 0.00 0.52 0.00 0.00 54.79 54.41 3dma n ASP 235 Cb 1.94 0.45 0.07 0.00 -0.72 0.00 0.00 41.12 42.87 3dma n ASP 235 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3dma n TYR 236 N -0.28 0.17 -4.00 -0.67 4.02 0.67 -4.98 117.16 112.09 3dma n TYR 236 Ca 0.09 -0.25 -0.32 0.00 -0.01 0.00 0.00 57.90 57.41 3dma n TYR 236 Cb 0.43 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 39.75 3dma n TYR 236 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dma n ASN 237 N 0.34 -4.30 -4.11 7.72 5.03 -1.10 -4.91 115.26 113.92 3dma n ASN 237 Ca 0.06 -0.85 -0.10 0.00 0.87 0.00 0.00 54.58 54.56 3dma n ASN 237 Cb 0.29 -3.56 -0.10 0.00 -1.02 0.00 0.00 39.78 35.39 3dma n ASN 237 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3dma s SER 238 N -3.33 0.88 0.06 6.41 0.01 -1.24 -1.56 113.70 114.93 3dma s SER 238 Ca 0.67 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 57.12 3dma s SER 238 Cb -0.35 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 3dma s SER 238 CO 0.86 -0.41 -0.11 0.00 0.41 0.00 0.00 173.24 173.99 3dma s ALA 239 N -2.93 0.90 -0.03 1.44 0.00 -0.26 -1.24 121.76 119.65 3dma s ALA 239 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3dma s ALA 239 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3dma s ALA 239 CO -0.04 0.07 -0.10 -1.17 0.00 0.00 0.00 175.76 174.52 3dma s LEU 240 N -1.70 1.81 0.12 0.00 2.96 0.70 -0.84 118.68 121.72 3dma s LEU 240 Ca -0.05 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3dma s LEU 240 Cb -0.10 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 3dma s LEU 240 CO 0.01 0.08 -0.10 0.27 -1.32 0.00 0.00 176.35 175.29 3dma s ILE 241 N 0.17 1.04 0.17 6.68 -4.36 0.30 -0.79 121.20 124.41 3dma s ILE 241 Ca -0.03 -1.82 -0.17 0.00 -0.26 0.00 0.00 60.65 58.37 3dma s ILE 241 Cb -0.09 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 42.09 3dma s ILE 241 CO 0.01 -0.63 0.49 -0.94 0.24 0.00 0.00 174.94 174.10 3dma s SER 242 N -2.74 -0.27 -0.07 4.36 1.04 -1.26 -0.73 113.70 114.04 3dma s SER 242 Ca 0.10 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 3dma s SER 242 Cb -0.01 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.70 3dma s SER 242 CO 0.00 -0.99 0.15 -0.76 0.98 0.00 0.00 173.24 172.61 3dma s LEU 243 N -2.85 0.63 0.51 2.42 1.43 0.12 -4.82 118.68 116.12 3dma s LEU 243 Ca 0.07 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 3dma s LEU 243 Cb -0.00 0.35 0.05 0.00 0.03 0.00 0.00 46.19 46.61 3dma s LEU 243 CO -0.06 -0.16 0.71 0.42 0.23 0.00 0.00 176.35 177.49 3dma s THR 244 N 1.30 2.64 0.33 5.49 -4.23 -1.26 -1.70 115.64 118.21 3dma s THR 244 Ca -0.08 -0.89 0.14 0.00 -1.18 0.00 0.00 61.69 59.68 3dma s THR 244 Cb -0.12 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.07 3dma s THR 244 CO -0.06 0.00 1.80 0.07 -0.54 0.00 0.00 174.62 175.89 3dma h LYS 245 N 0.30 0.00 0.04 3.99 2.10 -1.90 -0.40 116.57 120.70 3dma h LYS 245 Ca -0.37 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.02 3dma h LYS 245 Cb 1.28 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.63 3dma h LYS 245 CO 0.45 0.40 -1.07 1.49 -2.00 0.00 0.00 179.45 178.72 3dma h GLU 246 N 0.00 0.51 -0.16 0.07 4.81 -1.99 -2.22 114.58 115.60 3dma h GLU 246 Ca -0.00 -0.60 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 3dma h GLU 246 Cb 0.74 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 3dma h GLU 246 CO 0.05 1.23 -0.09 0.93 -0.73 0.00 0.00 179.01 180.41 3dma h GLU 247 N 0.26 0.35 0.41 1.92 5.08 -1.90 -2.24 114.58 118.47 3dma h GLU 247 Ca -0.12 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3dma h GLU 247 Cb 1.73 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 3dma h GLU 247 CO 0.19 0.67 -0.34 1.96 -1.00 0.00 0.00 179.01 180.50 3dma h GLN 248 N 0.02 -0.72 -1.00 2.33 4.20 -1.13 -2.61 115.11 116.19 3dma h GLN 248 Ca 0.04 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.94 3dma h GLN 248 Cb 0.57 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 28.42 3dma h GLN 248 CO 0.03 -0.48 0.62 0.78 -0.67 0.00 0.00 178.83 179.10 3dma h GLY 249 N -0.75 1.69 0.47 3.46 0.00 -1.44 -1.47 103.07 105.03 3dma h GLY 249 Ca -0.04 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 46.94 3dma h GLY 249 CO -0.02 0.08 -0.09 1.70 0.00 0.00 0.00 176.54 178.21 3dma h LYS 250 N 0.91 -0.05 -0.08 4.80 3.64 -1.04 -1.77 116.57 122.98 3dma h LYS 250 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3dma h LYS 250 Cb 0.63 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3dma h LYS 250 CO -0.31 -0.04 0.00 1.19 -2.27 0.00 0.00 179.45 178.03 3dma n PHE 251 N -5.25 0.10 -3.45 1.91 3.72 -0.79 -4.90 117.46 108.79 3dma n PHE 251 Ca -0.01 -0.05 -0.17 0.00 -0.05 0.00 0.00 57.45 57.16 3dma n PHE 251 Cb 0.17 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.79 3dma n PHE 251 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dma n ASP 252 N -0.33 -2.45 -4.73 4.37 8.00 -0.67 -4.78 116.55 115.96 3dma n ASP 252 Ca 0.08 -0.66 -0.40 0.00 0.71 0.00 0.00 54.79 54.53 3dma n ASP 252 Cb 0.11 -4.98 0.03 0.00 -0.02 0.00 0.00 41.12 36.25 3dma n ASP 252 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dma n TYR 253 N -4.05 2.31 -4.18 1.24 4.19 -0.62 -4.98 117.16 111.06 3dma n TYR 253 Ca -0.27 0.45 -0.16 0.00 3.31 0.00 0.00 57.90 61.24 3dma n TYR 253 Cb 0.66 -2.39 -0.11 0.00 0.49 0.00 0.00 39.34 38.00 3dma n TYR 253 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 3dma s ILE 254 N -1.24 1.01 0.21 2.97 1.01 -1.26 -4.95 121.20 118.95 3dma s ILE 254 Ca 0.65 -1.54 -0.32 0.00 0.00 0.00 0.00 60.65 59.44 3dma s ILE 254 Cb -0.45 -1.27 -0.13 0.00 0.01 0.00 0.00 42.46 40.62 3dma s ILE 254 CO 0.54 -0.45 1.62 1.17 0.00 0.00 0.00 174.94 177.83 3dma n LYS 255 N 0.77 2.51 -0.21 2.79 4.81 -1.26 -2.10 118.16 125.47 3dma n LYS 255 Ca -0.18 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3dma n LYS 255 Cb 0.57 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.92 3dma n LYS 255 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dma n GLY 256 N 3.27 0.71 0.12 3.14 0.00 -1.26 -4.97 105.19 106.21 3dma n GLY 256 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3dma n GLY 256 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dma h ASP 257 N 0.00 0.21 -0.12 1.61 5.19 -1.85 -3.13 116.42 118.32 3dma h ASP 257 Ca 0.00 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3dma h ASP 257 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3dma h ASP 257 CO 0.00 0.96 0.00 -1.54 -3.12 0.00 0.00 179.24 175.54 3dma n SER 258 N -3.66 1.25 -4.72 6.45 3.41 -1.26 -4.87 113.62 110.22 3dma n SER 258 Ca -0.03 -1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 56.53 3dma n SER 258 Cb 0.79 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 3dma n SER 258 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dma s GLU 259 N -1.85 4.15 0.00 4.33 2.56 -1.19 -1.92 118.70 124.78 3dma s GLU 259 Ca 0.31 2.55 0.00 0.00 0.00 0.00 0.00 54.97 57.83 3dma s GLU 259 Cb 0.16 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 33.17 3dma s GLU 259 CO 0.25 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.64 3dma n GLY 260 N 3.94 2.90 0.30 -1.50 0.00 -1.26 -4.88 105.19 104.68 3dma n GLY 260 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3dma n GLY 260 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dma h PHE 261 N 0.00 0.82 0.00 1.61 -1.00 -1.72 -0.89 116.94 115.76 3dma h PHE 261 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3dma h PHE 261 Cb 0.00 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.31 3dma h PHE 261 CO 0.00 0.33 0.00 -0.24 -1.61 0.00 0.00 178.31 176.79 3dma h VAL 262 N 0.76 0.00 0.08 -0.55 3.04 -1.90 -2.64 116.25 115.03 3dma h VAL 262 Ca 0.39 -0.09 -0.28 0.00 -1.01 0.00 0.00 66.70 65.71 3dma h VAL 262 Cb 0.37 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 30.56 3dma h VAL 262 CO -0.25 0.00 -1.40 0.78 -1.01 0.00 0.00 177.57 175.69 3dma h ASN 263 N 0.00 0.25 -0.65 3.17 2.35 -1.54 -3.38 115.58 115.78 3dma h ASN 263 Ca 0.00 -0.33 0.14 0.00 -0.55 0.00 0.00 56.30 55.55 3dma h ASN 263 Cb 0.10 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 38.28 3dma h ASN 263 CO 0.00 1.27 0.01 0.40 -1.65 0.00 0.00 177.43 177.47 3dma h ILE 264 N 0.04 0.47 -0.32 2.81 1.08 -1.46 -1.49 117.51 118.65 3dma h ILE 264 Ca -0.18 -0.04 0.09 0.00 -0.39 0.00 0.00 64.86 64.34 3dma h ILE 264 Cb 1.95 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 3dma h ILE 264 CO 0.15 0.02 0.35 -0.65 -0.69 0.00 0.00 178.15 177.33 3dma h PRO 265 N 0.13 0.00 0.00 2.37 0.11 -1.75 -1.03 132.00 131.83 3dma h PRO 265 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3dma h PRO 265 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3dma h PRO 265 CO -0.55 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.17 3dma h LEU 266 N 0.00 0.00 -0.07 2.35 3.38 -1.51 -2.46 115.31 117.00 3dma h LEU 266 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dma h LEU 266 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3dma h LEU 266 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3dma n SER 267 N -2.30 0.11 -4.74 -0.43 3.41 -0.39 -4.70 113.62 104.58 3dma n SER 267 Ca 0.01 -1.43 -0.38 0.00 -0.26 0.00 0.00 58.87 56.82 3dma n SER 267 Cb 0.20 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3dma n SER 267 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dma s ILE 268 N -1.99 5.11 0.27 -1.33 1.01 -0.93 -5.02 121.20 118.33 3dma s ILE 268 Ca 0.29 1.05 -0.31 0.00 0.00 0.00 0.00 60.65 61.68 3dma s ILE 268 Cb 0.13 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 3dma s ILE 268 CO 0.22 0.36 1.55 1.17 0.00 0.00 0.00 174.94 178.24 3dma n LYS 269 N 3.34 2.51 -0.95 2.79 4.81 -1.26 -2.03 118.16 127.38 3dma n LYS 269 Ca -0.07 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 3dma n LYS 269 Cb 0.52 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.92 3dma n LYS 269 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3dma n ASN 270 N 2.30 -2.54 -4.40 3.14 3.02 -1.26 -4.99 115.26 110.53 3dma n ASN 270 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 3dma n ASN 270 Cb 0.35 -1.14 -0.12 0.00 -0.61 0.00 0.00 39.78 38.26 3dma n ASN 270 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dma s VAL 271 N -2.20 4.31 -0.27 2.41 1.01 -0.86 -4.50 120.40 120.29 3dma s VAL 271 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3dma s VAL 271 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3dma s VAL 271 CO 0.00 0.08 0.34 0.00 0.00 0.00 0.00 175.10 175.52 3dma s PHE 273 N -0.85 1.22 -0.03 0.00 5.36 -1.13 -0.57 117.98 121.98 3dma s PHE 273 Ca 0.02 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 55.54 3dma s PHE 273 Cb 0.03 -0.99 0.00 0.00 -0.34 0.00 0.00 43.02 41.72 3dma s PHE 273 CO 0.09 -0.32 -0.11 0.45 -1.46 0.00 0.00 175.22 173.87 3dma s SER 274 N 1.11 1.43 -0.04 6.13 0.15 0.15 -1.11 113.70 121.53 3dma s SER 274 Ca -0.07 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.40 3dma s SER 274 Cb -0.14 -0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 3dma s SER 274 CO -0.01 0.07 -0.19 0.00 1.20 0.00 0.00 173.24 174.32 3dma s PHE 276 N -0.14 2.09 -0.19 0.00 5.36 -0.22 -0.54 117.98 124.36 3dma s PHE 276 Ca -0.00 -1.11 -0.04 0.00 -0.96 0.00 0.00 56.93 54.82 3dma s PHE 276 Cb -0.10 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 41.02 3dma s PHE 276 CO 0.01 -0.60 -0.03 -0.51 -1.46 0.00 0.00 175.22 172.63 3dma s LEU 277 N 1.31 3.14 -0.03 6.12 1.43 0.09 -1.84 118.68 128.90 3dma s LEU 277 Ca 0.01 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3dma s LEU 277 Cb -0.14 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.33 3dma s LEU 277 CO -0.07 0.09 -0.04 -0.60 0.23 0.00 0.00 176.35 175.95 3dma s ARG 278 N 0.85 0.72 0.24 1.70 3.52 -0.24 0.11 118.95 125.85 3dma s ARG 278 Ca -0.00 -0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 3dma s ARG 278 Cb -0.14 -0.73 -0.09 0.00 -1.56 0.00 0.00 34.95 32.42 3dma s ARG 278 CO 0.02 -0.04 1.10 -1.21 -0.81 0.00 0.00 175.30 174.36 3dma s GLU 279 N 0.72 4.62 0.00 5.12 2.02 -0.69 0.13 118.70 130.62 3dma s GLU 279 Ca -0.09 1.77 0.00 0.00 0.02 0.00 0.00 54.97 56.67 3dma s GLU 279 Cb -0.12 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3dma s GLU 279 CO 0.00 0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.96 3dma n ASP 280 N 1.68 0.00 -1.83 -0.19 -0.08 -1.26 -4.70 116.55 110.16 3dma n ASP 280 Ca 0.00 -0.18 -0.16 0.00 -1.51 0.00 0.00 54.79 52.94 3dma n ASP 280 Cb 0.45 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.02 3dma n ASP 280 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 3dma n THR 281 N -0.30 2.51 0.00 5.18 5.66 -1.26 -4.90 114.28 121.17 3dma n THR 281 Ca 0.00 -1.35 0.00 0.00 -3.05 0.00 0.00 64.05 59.65 3dma n THR 281 Cb 0.00 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.06 3dma n THR 281 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 3dma n GLU 282 N -0.52 0.00 -4.68 1.09 0.28 -1.26 -5.27 120.64 110.28 3dma n GLU 282 Ca 0.39 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 57.06 3dma n GLU 282 Cb 1.19 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.93 3dma n GLU 282 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3dma s ILE 286 N -1.90 3.33 -0.19 3.84 -1.09 0.57 -4.99 121.20 120.76 3dma s ILE 286 Ca 0.00 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 3dma s ILE 286 Cb 0.00 -2.40 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 3dma s ILE 286 CO 0.00 0.53 0.10 -0.75 -1.23 0.00 0.00 174.94 173.59 3dma s LYS 287 N 0.12 4.07 -0.09 2.79 2.47 0.36 0.79 119.74 130.24 3dma s LYS 287 Ca -0.05 -0.27 -0.01 0.00 -1.56 0.00 0.00 55.97 54.08 3dma s LYS 287 Cb -0.14 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.87 3dma s LYS 287 CO 0.04 0.31 -0.03 0.42 0.16 0.00 0.00 175.35 176.26 3dma s ILE 288 N 0.30 4.06 -0.06 5.43 1.09 0.34 -1.07 121.20 131.28 3dma s ILE 288 Ca 0.06 -0.34 -0.00 0.00 -1.10 0.00 0.00 60.65 59.27 3dma s ILE 288 Cb -0.12 -2.70 0.03 0.00 -1.06 0.00 0.00 42.46 38.61 3dma s ILE 288 CO -0.01 0.59 -0.02 -0.44 -0.10 0.00 0.00 174.94 174.96 3dma s SER 289 N -0.67 1.26 -0.01 3.58 0.01 -0.77 -1.70 113.70 115.41 3dma s SER 289 Ca 0.10 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.33 3dma s SER 289 Cb -0.12 -0.44 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 3dma s SER 289 CO 0.02 -0.13 -0.22 -0.76 0.41 0.00 0.00 173.24 172.57 3dma s LEU 290 N 1.45 2.06 0.01 2.44 1.43 0.82 -1.05 118.68 125.84 3dma s LEU 290 Ca -0.03 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3dma s LEU 290 Cb -0.13 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3dma s LEU 290 CO -0.03 0.25 -0.03 -0.13 0.23 0.00 0.00 176.35 176.64 3dma s ARG 291 N -0.61 0.27 0.02 1.70 1.81 0.10 -1.93 118.95 120.32 3dma s ARG 291 Ca 0.08 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.76 3dma s ARG 291 Cb -0.08 -0.12 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 3dma s ARG 291 CO -0.00 0.02 -0.01 -1.54 -0.68 0.00 0.00 175.30 173.09 3dma s SER 292 N -0.66 0.22 -0.08 0.23 1.04 -0.79 0.33 113.70 113.99 3dma s SER 292 Ca -0.05 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3dma s SER 292 Cb -0.05 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3dma s SER 292 CO -0.00 -0.32 -0.14 0.54 0.98 0.00 0.00 173.24 174.30 3dma s VAL 293 N -1.53 3.05 0.00 5.02 0.11 0.27 -4.68 120.40 122.64 3dma s VAL 293 Ca -0.15 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 3dma s VAL 293 Cb -0.09 -2.23 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 3dma s VAL 293 CO -0.01 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 3dma n GLY 294 N 2.77 0.98 0.62 6.54 0.00 -1.26 -4.50 105.19 110.34 3dma n GLY 294 Ca -0.18 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.39 3dma n GLY 294 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dma n LYS 295 N 1.97 2.87 -2.04 1.61 4.76 -1.26 -4.89 118.16 121.18 3dma n LYS 295 Ca 0.00 -2.16 -0.42 0.00 -2.87 0.00 0.00 58.31 52.86 3dma n LYS 295 Cb 0.00 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3dma n LYS 295 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3dma s PHE 296 N -1.35 2.32 -0.72 2.13 5.36 -1.26 -4.91 117.98 119.54 3dma s PHE 296 Ca 0.25 0.39 -0.26 0.00 -0.96 0.00 0.00 56.93 56.35 3dma s PHE 296 Cb 0.15 -3.86 -0.09 0.00 -0.34 0.00 0.00 43.02 38.88 3dma s PHE 296 CO 0.13 -3.49 2.27 -2.14 -1.46 0.00 0.00 175.22 170.53 3dma s PRO 297 N 3.26 1.99 0.20 10.12 0.02 -1.26 -4.60 135.00 144.74 3dma s PRO 297 Ca 0.71 0.57 -0.02 0.00 0.02 0.00 0.00 61.00 62.28 3dma s PRO 297 Cb -0.34 -4.75 0.16 0.00 0.02 0.00 0.00 34.50 29.58 3dma s PRO 297 CO 0.29 -3.81 1.54 0.00 -0.33 0.00 0.00 177.00 174.69 3dma h ASN 299 N 0.44 0.32 0.19 0.00 -0.00 -1.69 -2.56 115.58 112.29 3dma h ASN 299 Ca 0.02 -0.18 -0.01 0.00 -0.00 0.00 0.00 56.30 56.13 3dma h ASN 299 Cb 1.01 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 39.24 3dma h ASN 299 CO 0.09 0.85 -0.09 -0.09 -0.00 0.00 0.00 177.43 178.19 3dma h ARG 300 N 0.21 -0.24 -0.37 4.14 2.43 -1.88 0.19 114.38 118.86 3dma h ARG 300 Ca -0.01 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3dma h ARG 300 Cb 1.11 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 3dma h ARG 300 CO 0.10 0.02 0.13 -0.07 -1.51 0.00 0.00 179.97 178.63 3dma h LEU 301 N -0.49 0.14 -1.61 3.80 4.07 -1.58 -1.20 115.31 118.44 3dma h LEU 301 Ca -0.03 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3dma h LEU 301 Cb 0.37 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3dma h LEU 301 CO 0.04 0.12 0.15 0.00 -1.08 0.00 0.00 178.44 177.67 3dma h ALA 302 N 1.24 1.70 0.00 1.53 0.00 -1.40 -1.93 119.26 120.40 3dma h ALA 302 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dma h ALA 302 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dma h ALA 302 CO -0.17 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.23 3dma h ALA 303 N 1.75 1.69 -3.00 0.00 0.00 0.31 0.36 119.26 120.38 3dma h ALA 303 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dma h ALA 303 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dma h ALA 303 CO -0.02 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.75 3dma n GLU 304 N -4.22 0.00 0.29 0.00 1.02 -0.77 -4.29 120.64 112.67 3dma n GLU 304 Ca -0.03 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.27 3dma n GLU 304 Cb 0.18 -0.04 0.76 0.00 -0.02 0.00 0.00 31.44 32.32 3dma n GLU 304 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3dma h PHE 305 N 0.00 0.00 0.00 -0.32 0.04 -1.64 -3.03 116.94 112.00 3dma h PHE 305 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3dma h PHE 305 Cb 0.00 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 37.85 3dma h PHE 305 CO 0.00 0.00 -0.91 1.19 -0.60 0.00 0.00 178.31 177.99 3dma n PHE 306 N -3.03 0.00 -3.67 -0.55 3.01 -1.12 -5.01 117.46 107.10 3dma n PHE 306 Ca 0.00 -0.52 -0.23 0.00 1.01 0.00 0.00 57.45 57.72 3dma n PHE 306 Cb 0.47 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 39.73 3dma n PHE 306 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3dma n ASN 307 N 0.28 0.16 0.00 4.37 0.23 -0.91 -3.54 115.26 115.85 3dma n ASN 307 Ca 0.06 -0.85 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 3dma n ASN 307 Cb 1.05 -1.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 3dma n ASN 307 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dma n GLY 308 N -1.76 4.46 0.00 4.83 0.00 0.12 -4.70 105.19 108.14 3dma n GLY 308 Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3dma n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dma n GLY 309 N 5.00 -2.69 0.00 -0.02 0.00 -0.86 -4.17 105.19 102.45 3dma n GLY 309 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3dma n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dma n GLY 310 N -0.83 0.01 3.81 -0.02 0.00 -1.26 -2.57 105.19 104.33 3dma n GLY 310 Ca 0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 3dma n GLY 310 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dma s HIS 311 N -1.82 2.52 0.17 1.61 3.76 0.30 -4.82 115.29 117.01 3dma s HIS 311 Ca 0.00 -0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 3dma s HIS 311 Cb 0.00 -2.03 0.13 0.00 1.11 0.00 0.00 32.58 31.79 3dma s HIS 311 CO 0.00 0.00 1.70 1.25 -0.85 0.00 0.00 174.74 176.84 3dma h LEU 312 N 1.21 -0.12 -1.93 0.89 7.12 -1.96 -2.94 115.31 117.57 3dma h LEU 312 Ca -0.42 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.68 3dma h LEU 312 Cb 1.26 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 3dma h LEU 312 CO 0.64 -0.03 0.00 0.59 -0.13 0.00 0.00 178.44 179.52 3dma n ASN 313 N -5.17 2.98 -3.63 1.25 3.02 -1.26 -0.59 115.26 111.86 3dma n ASN 313 Ca 0.03 -1.96 -0.04 0.00 -0.03 0.00 0.00 54.58 52.57 3dma n ASN 313 Cb 0.21 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 3dma n ASN 313 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dma s ALA 314 N -1.90 -2.00 0.24 5.41 0.00 -1.13 -1.88 121.76 120.50 3dma s ALA 314 Ca 0.31 2.37 -0.21 0.00 0.00 0.00 0.00 51.96 54.43 3dma s ALA 314 Cb 0.21 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.79 3dma s ALA 314 CO 0.31 -0.57 0.88 -1.54 0.00 0.00 0.00 175.76 174.83 3dma s SER 315 N 2.04 -0.12 0.06 0.00 1.04 -0.81 -0.54 113.70 115.36 3dma s SER 315 Ca -0.08 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 3dma s SER 315 Cb -0.07 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3dma s SER 315 CO -0.19 -1.20 0.09 0.61 0.98 0.00 0.00 173.24 173.53 3dma n GLY 316 N -0.53 2.77 0.00 7.32 0.00 -1.06 -0.13 105.19 113.56 3dma n GLY 316 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3dma n GLY 316 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dma n GLY 317 N -0.10 1.91 3.72 -0.02 0.00 -0.69 -2.03 105.19 107.98 3dma n GLY 317 Ca -0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3dma n GLY 317 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dma s GLU 318 N -2.00 2.90 -0.22 1.61 2.12 -1.23 0.13 118.70 122.00 3dma s GLU 318 Ca 0.00 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.77 3dma s GLU 318 Cb 0.00 -2.75 0.06 0.00 0.26 0.00 0.00 34.13 31.70 3dma s GLU 318 CO 0.00 0.63 -0.05 0.12 -0.54 0.00 0.00 175.26 175.42 3dma s PHE 319 N -1.14 2.20 -0.58 5.30 2.19 0.24 -4.64 117.98 121.55 3dma s PHE 319 Ca 0.21 -1.59 -0.28 0.00 0.33 0.00 0.00 56.93 55.60 3dma s PHE 319 Cb -0.12 -1.51 0.03 0.00 -1.31 0.00 0.00 43.02 40.12 3dma s PHE 319 CO 0.12 -0.74 1.19 0.71 1.83 0.00 0.00 175.22 178.33 3dma s TYR 320 N 1.46 2.61 -3.33 10.12 1.51 -1.26 -0.31 117.35 128.15 3dma s TYR 320 Ca -0.04 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 3dma s TYR 320 Cb -0.18 -4.51 0.00 0.00 -0.11 0.00 0.00 41.96 37.16 3dma s TYR 320 CO -0.07 -1.59 0.00 0.41 -1.11 0.00 0.00 175.55 173.20 3dma n GLY 321 N 5.06 -0.58 0.00 0.71 0.00 -1.26 -4.97 105.19 104.16 3dma n GLY 321 Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3dma n GLY 321 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dma n THR 322 N 5.99 0.00 0.00 2.61 -2.24 -1.26 -4.39 114.28 114.99 3dma n THR 322 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dma n THR 322 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3dma n THR 322 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3dma n GLU 324 N 0.00 0.00 -0.01 -0.78 2.13 -1.26 -1.03 120.64 119.70 3dma n GLU 324 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 3dma n GLU 324 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 3dma n GLU 324 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3dma h GLU 325 N 0.00 -0.07 -0.15 5.31 4.81 -2.00 -2.49 114.58 119.99 3dma h GLU 325 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3dma h GLU 325 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3dma h GLU 325 CO 0.00 0.52 -0.24 0.00 -0.73 0.00 0.00 179.01 178.56 3dma h ALA 326 N 0.11 1.31 0.10 2.92 0.00 -1.46 -2.70 119.26 119.53 3dma h ALA 326 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dma h ALA 326 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dma h ALA 326 CO 0.01 0.47 -0.05 0.28 0.00 0.00 0.00 179.25 179.96 3dma h VAL 327 N 0.25 0.96 -0.95 0.00 2.07 -1.81 0.04 116.25 116.80 3dma h VAL 327 Ca 0.04 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.51 3dma h VAL 327 Cb 0.57 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3dma h VAL 327 CO 0.04 0.05 0.61 0.50 0.02 0.00 0.00 177.57 178.78 3dma h LYS 328 N -0.21 0.85 -0.26 1.57 1.63 -1.26 0.32 116.57 119.22 3dma h LYS 328 Ca -0.01 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3dma h LYS 328 Cb 0.17 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3dma h LYS 328 CO 0.02 0.56 0.13 0.28 -3.45 0.00 0.00 179.45 176.99 3dma h VAL 329 N 0.87 1.13 -0.69 2.00 2.07 -1.10 -1.59 116.25 118.95 3dma h VAL 329 Ca 0.47 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.70 3dma h VAL 329 Cb 0.57 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3dma h VAL 329 CO -0.24 0.13 0.36 0.15 0.02 0.00 0.00 177.57 178.00 3dma h PHE 330 N 0.29 0.66 0.00 1.57 3.57 0.14 0.26 116.94 123.42 3dma h PHE 330 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3dma h PHE 330 Cb 0.09 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3dma h PHE 330 CO -0.03 0.28 0.00 0.93 -2.23 0.00 0.00 178.31 177.26 3dma h GLU 331 N 0.64 0.00 0.00 1.11 5.08 -0.01 -1.75 114.58 119.65 3dma h GLU 331 Ca 0.32 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3dma h GLU 331 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dma h GLU 331 CO -0.23 0.00 -0.20 1.96 -1.00 0.00 0.00 179.01 179.54 3dma h GLN 332 N 0.00 0.00 -0.88 2.33 4.20 0.43 -3.01 115.11 118.17 3dma h GLN 332 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 3dma h GLN 332 Cb 0.24 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 3dma h GLN 332 CO 0.00 0.53 0.57 0.00 -0.67 0.00 0.00 178.83 179.26 3dma h ALA 333 N -0.53 1.78 -0.41 3.87 0.00 -1.03 0.27 119.26 123.22 3dma h ALA 333 Ca -0.04 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3dma h ALA 333 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3dma h ALA 333 CO -0.02 -0.01 -0.06 -0.07 0.00 0.00 0.00 179.25 179.09 3dma h LEU 334 N 0.74 0.67 -0.35 0.00 3.38 -1.44 -0.32 115.31 117.98 3dma h LEU 334 Ca 0.44 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 3dma h LEU 334 Cb 0.63 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3dma h LEU 334 CO -0.20 0.78 -0.35 -0.08 0.09 0.00 0.00 178.44 178.68 3dma h GLU 335 N 0.64 0.86 -0.14 1.13 4.57 -0.44 0.25 114.58 121.45 3dma h GLU 335 Ca 0.12 -0.46 -0.03 0.00 -1.18 0.00 0.00 59.36 57.81 3dma h GLU 335 Cb 0.49 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3dma h GLU 335 CO 0.03 1.10 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.69 3dma h LYS 336 N 0.66 0.28 -0.47 1.92 3.64 -0.62 -3.17 116.57 118.81 3dma h LYS 336 Ca 0.06 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3dma h LYS 336 Cb 0.94 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3dma h LYS 336 CO 0.09 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.51 3dma n TYR 337 N -4.69 0.64 -0.25 1.91 4.02 -0.15 -4.45 117.16 114.18 3dma n TYR 337 Ca -0.06 -0.31 0.05 0.00 -0.01 0.00 0.00 57.90 57.58 3dma n TYR 337 Cb 0.27 -0.02 0.18 0.00 -0.02 0.00 0.00 39.34 39.75 3dma n TYR 337 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3dma h LYS 338 N 2.63 0.37 -0.28 -0.72 3.64 -0.47 -1.25 116.57 120.49 3dma h LYS 338 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3dma h LYS 338 Cb 0.65 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3dma h LYS 338 CO 0.02 0.25 0.12 -1.00 -2.27 0.00 0.00 179.45 176.56 3dma h PRO 339 N 0.39 0.42 -0.79 1.90 0.13 -1.83 -2.45 132.00 129.76 3dma h PRO 339 Ca 0.41 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.55 3dma h PRO 339 Cb 0.65 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.66 3dma h PRO 339 CO -0.43 0.44 0.52 1.25 -0.23 0.00 0.00 178.00 179.54 3dma h LEU 340 N 0.31 0.70 -2.01 1.56 6.46 -1.69 0.12 115.31 120.76 3dma h LEU 340 Ca 0.09 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3dma h LEU 340 Cb 0.17 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 3dma h LEU 340 CO -0.01 0.43 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.10 3dma h LEU 341 N 0.79 0.00 -1.57 2.25 3.38 -0.80 -2.78 115.31 116.58 3dma h LEU 341 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3dma h LEU 341 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dma h LEU 341 CO -0.13 0.08 0.01 0.29 0.09 0.00 0.00 178.44 178.78 3dma n LYS 342 N -4.07 1.09 0.00 1.13 5.02 0.40 -4.96 118.16 116.77 3dma n LYS 342 Ca -0.03 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3dma n LYS 342 Cb 0.17 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3dma n LYS 342 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27