#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahr h ASN -1 N 0.00 0.00 -3.49 4.04 -1.07 -2.08 -3.52 115.58 109.46 2ahr h ASN -1 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 56.30 55.95 2ahr h ASN -1 Cb 0.00 0.00 0.19 0.00 -2.07 0.00 0.00 38.32 36.44 2ahr h ASN -1 CO 0.00 0.00 0.09 0.00 0.07 0.00 0.00 177.43 177.59 2ahr s ALA 0 N -4.25 0.31 -0.11 4.14 0.00 -1.26 -4.96 121.76 115.62 2ahr s ALA 0 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2ahr s ALA 0 Cb 0.11 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.24 2ahr s ALA 0 CO 0.37 -3.60 -0.19 0.15 0.00 0.00 0.00 175.76 172.49 2ahr s LYS 2 N -5.10 2.59 -0.14 0.00 1.02 -1.26 -4.97 119.74 111.88 2ahr s LYS 2 Ca 0.69 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.99 2ahr s LYS 2 Cb -0.15 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2ahr s LYS 2 CO 0.58 0.00 -0.17 0.42 -0.92 0.00 0.00 175.35 175.26 2ahr s ILE 3 N 0.79 2.51 -0.09 2.17 1.01 0.14 -0.34 121.20 127.40 2ahr s ILE 3 Ca -0.10 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 2ahr s ILE 3 Cb -0.16 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2ahr s ILE 3 CO 0.01 0.53 0.02 -0.83 0.00 0.00 0.00 174.94 174.66 2ahr s GLY 4 N 0.71 1.89 -0.19 6.18 0.00 -0.87 -0.95 107.32 114.09 2ahr s GLY 4 Ca -0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 2ahr s GLY 4 CO 0.01 -0.56 -0.14 -0.42 0.00 0.00 0.00 173.10 171.99 2ahr s ILE 5 N -0.91 2.58 -0.31 0.90 1.09 0.58 -0.70 121.20 124.43 2ahr s ILE 5 Ca 0.14 -0.76 -0.12 0.00 -1.10 0.00 0.00 60.65 58.80 2ahr s ILE 5 Cb -0.11 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.13 2ahr s ILE 5 CO 0.03 0.49 0.23 -0.63 -0.10 0.00 0.00 174.94 174.96 2ahr s ILE 6 N 1.35 5.28 0.00 2.92 1.01 -0.42 -1.13 121.20 130.21 2ahr s ILE 6 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2ahr s ILE 6 Cb -0.14 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2ahr s ILE 6 CO -0.09 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2ahr n GLY 7 N 5.06 -3.27 2.72 6.18 0.00 0.57 -0.32 105.19 116.13 2ahr n GLY 7 Ca -0.13 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2ahr n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ahr s VAL 8 N -0.01 1.44 0.00 1.61 1.01 -1.26 -3.39 120.40 119.80 2ahr s VAL 8 Ca 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 61.98 59.39 2ahr s VAL 8 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2ahr s VAL 8 CO 0.00 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2ahr n GLY 9 N 3.52 2.54 0.30 4.51 0.00 -1.26 -4.78 105.19 110.02 2ahr n GLY 9 Ca 0.09 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2ahr n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ahr n LYS 10 N 0.00 0.11 0.00 1.61 5.02 -1.26 -0.62 118.16 123.01 2ahr n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ahr n LYS 10 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2ahr n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ahr n ALA 12 N 0.08 0.00 -0.13 7.82 0.00 -1.26 -1.66 120.51 125.36 2ahr n ALA 12 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2ahr n ALA 12 Cb 0.02 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.50 2ahr n ALA 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ahr h SER 13 N 0.00 0.10 -0.71 0.00 0.02 -1.17 -2.43 113.55 109.35 2ahr h SER 13 Ca 0.00 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2ahr h SER 13 Cb 0.00 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 2ahr h SER 13 CO 0.00 0.09 0.29 0.00 -1.14 0.00 0.00 176.83 176.07 2ahr h ALA 14 N 1.29 0.97 0.00 3.77 0.00 -1.55 -2.53 119.26 121.22 2ahr h ALA 14 Ca 0.20 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2ahr h ALA 14 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ahr h ALA 14 CO -0.23 -0.17 0.00 -0.84 0.00 0.00 0.00 179.25 178.02 2ahr h ILE 15 N 0.47 0.00 -0.12 0.00 3.07 -1.75 -3.27 117.51 115.90 2ahr h ILE 15 Ca 0.37 -0.58 0.02 0.00 1.55 0.00 0.00 64.86 66.22 2ahr h ILE 15 Cb 0.51 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 38.57 2ahr h ILE 15 CO -0.35 0.00 0.01 0.40 -1.05 0.00 0.00 178.15 177.16 2ahr h ILE 16 N 0.00 0.93 -0.67 0.16 1.08 -0.99 -1.70 117.51 116.32 2ahr h ILE 16 Ca 0.00 -0.02 0.13 0.00 -0.39 0.00 0.00 64.86 64.58 2ahr h ILE 16 Cb 0.69 0.87 -0.13 0.00 -3.07 0.00 0.00 36.82 35.18 2ahr h ILE 16 CO 0.00 0.01 -0.15 0.50 -0.69 0.00 0.00 178.15 177.82 2ahr h LYS 17 N 0.06 0.01 -0.52 2.37 3.64 -1.65 0.22 116.57 120.70 2ahr h LYS 17 Ca 0.06 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2ahr h LYS 17 Cb 0.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2ahr h LYS 17 CO -0.08 0.01 0.09 0.78 -2.27 0.00 0.00 179.45 177.97 2ahr h GLY 18 N 0.01 0.88 2.00 5.01 0.00 -1.68 -2.91 103.07 106.37 2ahr h GLY 18 Ca 0.32 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 2ahr h GLY 18 CO -0.68 0.49 -0.34 1.41 0.00 0.00 0.00 176.54 177.42 2ahr h LEU 19 N 0.78 0.00 -1.75 3.11 3.38 0.04 -2.44 115.31 118.43 2ahr h LEU 19 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ahr h LEU 19 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ahr h LEU 19 CO 0.00 0.34 -0.01 0.11 0.09 0.00 0.00 178.44 178.98 2ahr h LYS 20 N 0.00 0.00 -0.26 1.13 1.57 -0.47 -2.64 116.57 115.90 2ahr h LYS 20 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ahr h LYS 20 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2ahr h LYS 20 CO 0.04 0.01 0.00 1.04 -0.57 0.00 0.00 179.45 179.98 2ahr n GLN 21 N -3.12 1.73 -3.68 3.15 6.02 -0.92 -4.86 117.38 115.70 2ahr n GLN 21 Ca -0.00 -1.12 -0.20 0.00 -0.01 0.00 0.00 57.00 55.66 2ahr n GLN 21 Cb 0.26 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 2ahr n GLN 21 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ahr s THR 22 N -1.66 3.62 -1.00 5.09 -4.23 -1.00 -5.01 115.64 111.45 2ahr s THR 22 Ca 0.26 -1.26 0.15 0.00 -1.18 0.00 0.00 61.69 59.67 2ahr s THR 22 Cb 0.14 -3.23 0.13 0.00 1.34 0.00 0.00 72.50 70.87 2ahr s THR 22 CO 0.20 -0.16 1.49 -2.65 -0.54 0.00 0.00 174.62 172.96 2ahr n PRO 23 N -1.47 0.00 -1.84 3.99 -0.02 -1.26 -4.90 135.00 129.50 2ahr n PRO 23 Ca -0.01 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 2ahr n PRO 23 Cb 0.59 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.59 2ahr n PRO 23 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2ahr s HIS 24 N -3.00 3.28 -0.08 6.00 3.76 -1.26 -4.79 115.29 119.20 2ahr s HIS 24 Ca 0.07 1.41 -0.12 0.00 -0.15 0.00 0.00 55.06 56.27 2ahr s HIS 24 Cb 0.10 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 30.90 2ahr s HIS 24 CO 0.28 -0.95 0.29 -2.00 -0.85 0.00 0.00 174.74 171.51 2ahr s GLU 25 N -4.79 3.85 0.03 1.40 2.12 -1.26 -4.95 118.70 115.09 2ahr s GLU 25 Ca 0.58 0.14 0.09 0.00 0.36 0.00 0.00 54.97 56.14 2ahr s GLU 25 Cb -0.13 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2ahr s GLU 25 CO 0.49 0.60 -0.26 -0.51 -0.54 0.00 0.00 175.26 175.03 2ahr s LEU 26 N -0.64 2.14 -0.07 2.70 1.43 -1.26 0.26 118.68 123.24 2ahr s LEU 26 Ca 0.19 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2ahr s LEU 26 Cb -0.14 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.80 2ahr s LEU 26 CO 0.08 0.27 0.20 -0.51 0.23 0.00 0.00 176.35 176.61 2ahr s ILE 27 N -0.77 0.01 0.41 -0.59 2.07 -0.13 -4.22 121.20 117.98 2ahr s ILE 27 Ca 0.11 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.38 2ahr s ILE 27 Cb -0.10 -0.30 -0.06 0.00 0.13 0.00 0.00 42.46 42.13 2ahr s ILE 27 CO 0.01 -0.03 0.10 0.27 -1.91 0.00 0.00 174.94 173.39 2ahr s ILE 28 N -0.01 2.19 -0.28 2.00 -5.25 -0.84 -0.30 121.20 118.71 2ahr s ILE 28 Ca -0.01 -1.84 -0.05 0.00 -0.99 0.00 0.00 60.65 57.75 2ahr s ILE 28 Cb -0.02 -2.99 0.15 0.00 2.95 0.00 0.00 42.46 42.55 2ahr s ILE 28 CO 0.00 -0.01 0.58 -0.55 -1.79 0.00 0.00 174.94 173.17 2ahr s SER 29 N -3.81 -1.01 0.01 4.36 0.15 -0.28 -1.23 113.70 111.89 2ahr s SER 29 Ca 0.38 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2ahr s SER 29 Cb 0.06 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 66.41 2ahr s SER 29 CO 0.20 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2ahr n GLY 30 N 5.43 1.02 0.09 9.45 0.00 -1.26 -0.32 105.19 119.61 2ahr n GLY 30 Ca -0.07 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 2ahr n GLY 30 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ahr h SER 31 N 0.00 0.00 -5.21 1.61 4.64 -1.97 -3.43 113.55 109.19 2ahr h SER 31 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2ahr h SER 31 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 2ahr h SER 31 CO 0.00 0.81 -0.59 -0.94 -0.87 0.00 0.00 176.83 175.23 2ahr s SER 32 N -6.65 0.38 0.29 4.97 1.04 -1.26 -5.02 113.70 107.45 2ahr s SER 32 Ca 0.01 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.57 2ahr s SER 32 Cb 0.10 0.24 0.53 0.00 0.10 0.00 0.00 66.02 66.98 2ahr s SER 32 CO 0.79 -0.63 1.89 0.25 0.98 0.00 0.00 173.24 176.52 2ahr h LEU 33 N 3.09 0.93 -0.36 2.42 5.85 -1.93 0.69 115.31 126.00 2ahr h LEU 33 Ca -0.34 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2ahr h LEU 33 Cb 1.16 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2ahr h LEU 33 CO 0.62 0.57 0.15 -0.08 -0.34 0.00 0.00 178.44 179.36 2ahr h GLU 34 N 1.04 0.31 -0.54 1.25 4.81 -1.99 -2.13 114.58 117.33 2ahr h GLU 34 Ca 0.43 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.57 2ahr h GLU 34 Cb 0.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2ahr h GLU 34 CO -0.18 0.20 0.07 0.00 -0.73 0.00 0.00 179.01 178.37 2ahr h ARG 35 N 0.31 0.86 0.35 1.92 2.47 -1.72 -2.71 114.38 115.87 2ahr h ARG 35 Ca 0.16 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2ahr h ARG 35 Cb 0.11 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2ahr h ARG 35 CO -0.14 0.82 -0.17 0.77 0.56 0.00 0.00 179.97 181.81 2ahr h SER 36 N 0.82 -0.40 -0.52 7.04 0.02 -0.57 -1.28 113.55 118.66 2ahr h SER 36 Ca 0.17 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 2ahr h SER 36 Cb 0.39 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.95 2ahr h SER 36 CO 0.01 -0.18 -0.02 0.11 -1.14 0.00 0.00 176.83 175.60 2ahr h LYS 37 N -0.61 0.09 -0.93 3.45 1.57 -1.44 0.14 116.57 118.84 2ahr h LYS 37 Ca -0.05 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2ahr h LYS 37 Cb 0.44 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 2ahr h LYS 37 CO 0.08 0.06 0.61 1.49 -0.57 0.00 0.00 179.45 181.12 2ahr h GLU 38 N 0.09 1.17 0.00 3.15 4.81 -1.29 0.22 114.58 122.74 2ahr h GLU 38 Ca 0.26 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.17 2ahr h GLU 38 Cb 0.40 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2ahr h GLU 38 CO -0.45 0.78 -1.36 -0.84 -0.73 0.00 0.00 179.01 176.40 2ahr h ILE 39 N 1.21 1.24 -0.54 2.32 -0.00 -0.86 -2.93 117.51 117.95 2ahr h ILE 39 Ca 0.36 -3.01 -0.03 0.00 -0.00 0.00 0.00 64.86 62.18 2ahr h ILE 39 Cb -0.06 2.61 -0.03 0.00 -0.00 0.00 0.00 36.82 39.34 2ahr h ILE 39 CO -0.10 0.71 0.22 0.00 -0.00 0.00 0.00 178.15 178.98 2ahr h ALA 40 N 1.02 1.39 0.29 0.16 0.00 -0.49 0.25 119.26 121.88 2ahr h ALA 40 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ahr h ALA 40 Cb 1.88 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2ahr h ALA 40 CO 0.10 0.47 -0.48 1.49 0.00 0.00 0.00 179.25 180.83 2ahr h GLU 41 N 0.76 -0.80 -0.00 0.00 4.57 -0.59 -0.41 114.58 118.10 2ahr h GLU 41 Ca 0.18 0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2ahr h GLU 41 Cb 0.14 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2ahr h GLU 41 CO -0.02 -0.53 -0.29 1.96 -1.18 0.00 0.00 179.01 178.95 2ahr h GLN 42 N -0.83 0.01 -0.01 1.92 1.08 -1.19 -2.90 115.11 113.18 2ahr h GLN 42 Ca -0.02 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2ahr h GLN 42 Cb 0.78 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2ahr h GLN 42 CO -0.17 0.29 -0.63 1.28 -0.95 0.00 0.00 178.83 178.65 2ahr n LEU 43 N -4.20 1.73 -3.49 1.46 4.77 0.01 -5.01 117.00 112.28 2ahr n LEU 43 Ca -0.02 -0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 55.08 2ahr n LEU 43 Cb 0.34 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2ahr n LEU 43 CO 0.38 0.34 0.01 0.00 -1.33 0.00 0.00 177.39 176.79 2ahr n ALA 44 N -0.46 -2.22 -2.34 -1.18 0.00 -0.23 -5.04 120.51 109.05 2ahr n ALA 44 Ca 0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2ahr n ALA 44 Cb 0.43 -3.47 -0.10 0.00 0.00 0.00 0.00 19.45 16.31 2ahr n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ahr s LEU 45 N -6.19 2.44 0.50 0.00 1.43 -0.81 -5.06 118.68 111.00 2ahr s LEU 45 Ca 0.19 -0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 2ahr s LEU 45 Cb -0.04 -0.06 -0.06 0.00 0.03 0.00 0.00 46.19 46.06 2ahr s LEU 45 CO 0.77 -0.42 1.33 -2.84 0.23 0.00 0.00 176.35 175.43 2ahr s PRO 46 N -3.27 3.44 0.24 1.29 0.02 -1.26 -4.65 135.00 130.80 2ahr s PRO 46 Ca 0.06 2.17 0.11 0.00 0.02 0.00 0.00 61.00 63.36 2ahr s PRO 46 Cb 0.02 -2.41 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 2ahr s PRO 46 CO -0.04 -0.93 -0.17 1.52 -0.33 0.00 0.00 177.00 177.05 2ahr s TYR 47 N -1.32 2.40 0.00 6.54 1.13 -1.26 -1.99 117.35 122.85 2ahr s TYR 47 Ca 0.67 -0.31 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 2ahr s TYR 47 Cb -0.39 -1.11 0.00 0.00 -1.10 0.00 0.00 41.96 39.36 2ahr s TYR 47 CO 0.47 0.60 0.00 0.00 -2.51 0.00 0.00 175.55 174.11 2ahr n ALA 48 N -0.28 0.00 -0.61 9.51 0.00 -0.37 -4.88 120.51 123.89 2ahr n ALA 48 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 2ahr n ALA 48 Cb 0.58 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.21 2ahr n ALA 48 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ahr n SER 50 N 0.00 -2.55 -0.14 0.00 3.41 -1.26 -4.88 113.62 108.20 2ahr n SER 50 Ca 0.00 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.30 2ahr n SER 50 Cb 0.00 -0.94 0.06 0.00 -0.26 0.00 0.00 64.21 63.07 2ahr n SER 50 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2ahr h HIS 51 N -2.32 1.01 -0.67 7.33 -0.00 -1.96 -1.10 115.15 117.44 2ahr h HIS 51 Ca -0.49 -0.21 -0.08 0.00 -0.00 0.00 0.00 60.37 59.59 2ahr h HIS 51 Cb 1.26 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 2ahr h HIS 51 CO -0.58 0.99 0.12 0.37 -0.00 0.00 0.00 177.93 178.83 2ahr h GLN 52 N 0.80 1.11 -0.67 2.45 5.75 -1.98 0.10 115.11 122.66 2ahr h GLN 52 Ca 0.12 -0.29 0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2ahr h GLN 52 Cb 0.69 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.06 2ahr h GLN 52 CO 0.05 1.01 0.39 0.22 -2.65 0.00 0.00 178.83 177.85 2ahr h ASP 53 N 1.03 0.61 0.26 -0.69 -0.00 -1.93 -1.02 116.42 114.68 2ahr h ASP 53 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.26 2ahr h ASP 53 Cb 0.43 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.62 2ahr h ASP 53 CO 0.01 0.41 -0.30 0.25 -0.00 0.00 0.00 179.24 179.61 2ahr h LEU 54 N 0.75 -0.81 -1.32 2.28 7.12 -0.80 -3.23 115.31 119.30 2ahr h LEU 54 Ca 0.29 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.47 2ahr h LEU 54 Cb 0.11 0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.47 2ahr h LEU 54 CO -0.15 -0.42 0.53 0.40 -0.13 0.00 0.00 178.44 178.68 2ahr h ILE 55 N -0.60 0.94 0.00 4.05 2.04 -0.05 -2.89 117.51 121.00 2ahr h ILE 55 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2ahr h ILE 55 Cb 0.57 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2ahr h ILE 55 CO -0.08 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.67 2ahr n ASP 56 N -4.51 0.72 -0.09 1.72 8.00 -0.46 -3.50 116.55 118.43 2ahr n ASP 56 Ca 0.14 0.66 0.02 0.00 0.71 0.00 0.00 54.79 56.32 2ahr n ASP 56 Cb 0.34 -0.82 -0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2ahr n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ahr n GLN 57 N -2.27 2.80 -4.04 -1.24 10.64 -1.09 -5.07 117.38 117.10 2ahr n GLN 57 Ca 0.03 -0.38 -0.29 0.00 -1.83 0.00 0.00 57.00 54.53 2ahr n GLN 57 Cb 0.27 -0.89 -0.06 0.00 -0.86 0.00 0.00 30.24 28.70 2ahr n GLN 57 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2ahr s VAL 58 N -0.95 4.68 -0.63 -0.39 1.01 -1.22 -4.89 120.40 118.01 2ahr s VAL 58 Ca 0.04 -0.81 0.23 0.00 0.00 0.00 0.00 61.98 61.43 2ahr s VAL 58 Cb 0.04 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 2ahr s VAL 58 CO 0.13 0.04 1.06 0.47 0.00 0.00 0.00 175.10 176.79 2ahr n ASP 59 N 0.11 0.62 -3.64 3.32 8.00 0.54 -4.86 116.55 120.65 2ahr n ASP 59 Ca -0.08 -0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.13 2ahr n ASP 59 Cb 0.53 0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 42.29 2ahr n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ahr s LEU 60 N -3.91 -0.85 -0.07 0.64 2.96 -1.17 -4.24 118.68 112.05 2ahr s LEU 60 Ca 0.04 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.38 2ahr s LEU 60 Cb 0.14 2.36 -0.03 0.00 0.50 0.00 0.00 46.19 49.16 2ahr s LEU 60 CO 0.79 -0.23 0.01 -0.69 -1.32 0.00 0.00 176.35 174.91 2ahr s VAL 61 N 1.19 4.37 -0.13 1.68 1.01 -0.78 -2.04 120.40 125.70 2ahr s VAL 61 Ca -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2ahr s VAL 61 Cb -0.05 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2ahr s VAL 61 CO -0.13 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.69 2ahr s ILE 62 N -0.95 2.31 -0.33 2.22 1.01 0.12 -0.31 121.20 125.27 2ahr s ILE 62 Ca 0.15 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 2ahr s ILE 62 Cb -0.11 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 2ahr s ILE 62 CO 0.05 0.54 0.49 -0.76 0.00 0.00 0.00 174.94 175.26 2ahr s LEU 63 N 0.63 4.29 0.00 2.97 1.43 0.65 -1.31 118.68 127.35 2ahr s LEU 63 Ca -0.11 0.06 0.15 0.00 -1.03 0.00 0.00 54.13 53.20 2ahr s LEU 63 Cb -0.16 -2.57 0.37 0.00 0.03 0.00 0.00 46.19 43.86 2ahr s LEU 63 CO 0.03 -0.42 1.28 0.61 0.23 0.00 0.00 176.35 178.08 2ahr n GLY 64 N 4.74 2.22 3.83 -3.19 0.00 0.57 -4.61 105.19 108.74 2ahr n GLY 64 Ca -0.05 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2ahr n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ahr s ILE 65 N -1.05 4.15 0.52 -0.61 -4.36 -1.19 -4.51 121.20 114.16 2ahr s ILE 65 Ca 0.29 0.76 -0.18 0.00 -0.26 0.00 0.00 60.65 61.26 2ahr s ILE 65 Cb 0.16 -3.50 -0.07 0.00 1.25 0.00 0.00 42.46 40.30 2ahr s ILE 65 CO 0.21 -0.85 1.04 -1.59 0.24 0.00 0.00 174.94 173.99 2ahr s LYS 66 N -4.87 3.65 0.39 0.37 -2.85 -1.26 -4.78 119.74 110.40 2ahr s LYS 66 Ca 0.58 1.28 0.10 0.00 -1.00 0.00 0.00 55.97 56.93 2ahr s LYS 66 Cb -0.13 -2.08 0.88 0.00 -2.06 0.00 0.00 37.83 34.44 2ahr s LYS 66 CO 0.51 -0.54 1.95 -1.00 0.10 0.00 0.00 175.35 176.37 2ahr h PRO 67 N 1.14 0.58 0.00 1.78 0.13 -1.96 -1.76 132.00 131.91 2ahr h PRO 67 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2ahr h PRO 67 Cb 1.22 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ahr h PRO 67 CO 0.59 0.38 0.00 1.04 -0.23 0.00 0.00 178.00 179.78 2ahr n GLN 68 N -4.49 0.12 -0.08 0.86 3.00 -1.26 -2.10 117.38 113.43 2ahr n GLN 68 Ca 0.11 0.59 0.06 0.00 -0.01 0.00 0.00 57.00 57.75 2ahr n GLN 68 Cb 0.33 -1.87 0.10 0.00 0.00 0.00 0.00 30.24 28.79 2ahr n GLN 68 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ahr n LEU 69 N -2.13 2.40 0.14 1.08 4.32 -0.66 -4.74 117.00 117.40 2ahr n LEU 69 Ca -0.01 -1.45 -0.13 0.00 -0.02 0.00 0.00 56.01 54.40 2ahr n LEU 69 Cb 0.05 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.68 2ahr n LEU 69 CO 0.09 0.53 0.71 -0.26 -1.22 0.00 0.00 177.39 177.24 2ahr h PHE 70 N 2.16 -0.63 0.78 -1.77 -1.00 -1.50 -1.11 116.94 113.87 2ahr h PHE 70 Ca 0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2ahr h PHE 70 Cb 0.59 0.25 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 2ahr h PHE 70 CO 0.11 -0.34 -0.48 1.49 -1.61 0.00 0.00 178.31 177.47 2ahr h GLU 71 N -0.47 -1.14 -0.65 1.51 4.81 -1.85 0.60 114.58 117.39 2ahr h GLU 71 Ca 0.01 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 2ahr h GLU 71 Cb 0.47 0.26 -0.11 0.00 0.63 0.00 0.00 28.75 30.00 2ahr h GLU 71 CO -0.09 -0.76 0.03 1.15 -0.73 0.00 0.00 179.01 178.60 2ahr h THR 72 N -1.18 0.48 0.06 0.32 2.02 -1.87 -2.75 112.91 109.98 2ahr h THR 72 Ca -0.10 -0.05 -0.28 0.00 0.77 0.00 0.00 66.41 66.75 2ahr h THR 72 Cb 0.95 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2ahr h THR 72 CO 0.11 0.03 -1.44 0.58 0.37 0.00 0.00 175.52 175.17 2ahr h VAL 73 N 0.14 1.23 0.07 3.16 2.07 -1.13 -3.41 116.25 118.38 2ahr h VAL 73 Ca 0.34 -2.94 -0.34 0.00 0.82 0.00 0.00 66.70 64.59 2ahr h VAL 73 Cb 0.56 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2ahr h VAL 73 CO -0.54 0.78 -1.89 0.18 0.02 0.00 0.00 177.57 176.12 2ahr n LEU 74 N -3.33 1.87 -0.02 2.57 4.77 0.20 -4.49 117.00 118.57 2ahr n LEU 74 Ca -0.12 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 2ahr n LEU 74 Cb 1.02 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2ahr n LEU 74 CO 0.48 0.66 0.87 0.11 -1.33 0.00 0.00 177.39 178.18 2ahr h LYS 75 N 0.04 0.06 0.00 3.23 1.57 -1.57 -2.07 116.57 117.83 2ahr h LYS 75 Ca -0.37 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2ahr h LYS 75 Cb 2.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2ahr h LYS 75 CO 0.08 0.04 0.00 -0.35 -0.57 0.00 0.00 179.45 178.65 2ahr n PRO 76 N -5.11 0.01 -3.46 3.15 -0.04 -1.26 -4.79 135.00 123.49 2ahr n PRO 76 Ca -0.04 0.42 -0.25 0.00 -0.04 0.00 0.00 63.50 63.59 2ahr n PRO 76 Cb 0.08 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.03 2ahr n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ahr s LEU 77 N -2.91 4.07 -0.30 1.53 1.02 -0.78 -5.08 118.68 116.22 2ahr s LEU 77 Ca 0.02 0.44 0.03 0.00 0.02 0.00 0.00 54.13 54.63 2ahr s LEU 77 Cb 0.02 -3.28 0.08 0.00 0.02 0.00 0.00 46.19 43.02 2ahr s LEU 77 CO 0.05 -0.23 -0.02 -1.00 0.02 0.00 0.00 176.35 175.17 2ahr s HIS 78 N -2.20 3.48 0.30 0.29 3.76 -1.26 -5.02 115.29 114.64 2ahr s HIS 78 Ca 0.40 -2.56 -0.12 0.00 -0.15 0.00 0.00 55.06 52.62 2ahr s HIS 78 Cb -0.10 -2.41 -0.08 0.00 1.11 0.00 0.00 32.58 31.10 2ahr s HIS 78 CO 0.34 -0.91 0.68 -0.06 -0.85 0.00 0.00 174.74 173.94 2ahr s PHE 79 N 1.04 3.40 0.00 1.40 0.40 -1.26 -4.94 117.98 118.02 2ahr s PHE 79 Ca 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 2ahr s PHE 79 Cb -0.20 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.91 2ahr s PHE 79 CO -0.06 0.13 0.16 1.63 0.70 0.00 0.00 175.22 177.78 2ahr n LYS 80 N -0.43 0.01 -4.03 0.44 5.02 -1.26 -5.07 118.16 112.83 2ahr n LYS 80 Ca 0.02 -0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.05 2ahr n LYS 80 Cb 0.53 -0.52 -0.07 0.00 -0.02 0.00 0.00 35.03 34.96 2ahr n LYS 80 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2ahr s GLN 81 N -0.01 1.35 0.64 1.97 0.00 -1.26 -5.08 119.66 117.28 2ahr s GLN 81 Ca 0.00 -1.30 -0.18 0.00 -0.00 0.00 0.00 55.36 53.87 2ahr s GLN 81 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 33.01 33.40 2ahr s GLN 81 CO 0.00 -0.52 1.30 -2.30 0.00 0.00 0.00 175.29 173.76 2ahr n PRO 82 N -0.31 1.15 -4.83 9.60 -0.02 -1.26 -4.80 135.00 134.53 2ahr n PRO 82 Ca -0.03 0.45 -0.25 0.00 -2.02 0.00 0.00 63.50 61.65 2ahr n PRO 82 Cb 0.63 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 2ahr n PRO 82 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ahr s ILE 83 N -1.38 1.36 -0.20 4.25 1.01 -1.03 -1.86 121.20 123.35 2ahr s ILE 83 Ca 0.82 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 2ahr s ILE 83 Cb -0.38 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 2ahr s ILE 83 CO 0.41 0.39 -0.03 -0.63 0.00 0.00 0.00 174.94 175.08 2ahr s ILE 84 N -0.37 3.65 0.15 2.92 1.01 0.58 -0.75 121.20 128.38 2ahr s ILE 84 Ca 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2ahr s ILE 84 Cb -0.07 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.78 2ahr s ILE 84 CO -0.00 0.43 0.20 -0.24 0.00 0.00 0.00 174.94 175.33 2ahr n SER 85 N 4.43 0.56 0.00 3.58 2.88 -0.00 -0.25 113.62 124.82 2ahr n SER 85 Ca -0.18 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 2ahr n SER 85 Cb 0.51 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2ahr n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ahr n ALA 87 N -2.83 -1.31 -1.77 -1.46 0.00 -1.26 -1.01 120.51 110.87 2ahr n ALA 87 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 2ahr n ALA 87 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 2ahr n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ahr s ALA 88 N -1.21 3.27 0.00 0.00 0.00 -1.26 -4.09 121.76 118.47 2ahr s ALA 88 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2ahr s ALA 88 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2ahr s ALA 88 CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2ahr n GLY 89 N 0.71 0.85 3.19 0.00 0.00 -1.26 -4.76 105.19 103.92 2ahr n GLY 89 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2ahr n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ahr s ILE 90 N -3.53 2.95 0.80 -0.61 1.01 -1.26 -4.72 121.20 115.85 2ahr s ILE 90 Ca 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 60.65 59.34 2ahr s ILE 90 Cb 0.00 -2.61 0.07 0.00 0.01 0.00 0.00 42.46 39.93 2ahr s ILE 90 CO 0.00 0.03 1.10 -0.94 0.00 0.00 0.00 174.94 175.13 2ahr s SER 91 N 1.29 4.23 0.44 3.58 1.04 -1.26 -4.86 113.70 118.16 2ahr s SER 91 Ca -0.03 1.88 0.10 0.00 0.48 0.00 0.00 55.95 58.38 2ahr s SER 91 Cb -0.18 -2.52 0.97 0.00 0.10 0.00 0.00 66.02 64.39 2ahr s SER 91 CO -0.02 -2.22 2.06 -0.07 0.98 0.00 0.00 173.24 173.96 2ahr h LEU 92 N -1.26 0.26 -0.12 2.42 3.38 -1.98 -0.97 115.31 117.04 2ahr h LEU 92 Ca -0.44 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 2ahr h LEU 92 Cb 1.24 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ahr h LEU 92 CO 0.50 0.24 -0.02 -0.61 0.09 0.00 0.00 178.44 178.64 2ahr h GLN 93 N 0.30 0.23 -0.52 1.13 4.15 -2.00 -1.63 115.11 116.77 2ahr h GLN 93 Ca 0.08 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2ahr h GLN 93 Cb 0.06 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2ahr h GLN 93 CO -0.01 0.51 0.07 0.00 -1.93 0.00 0.00 178.83 177.48 2ahr h ARG 94 N -0.07 0.82 -0.62 1.69 3.08 -1.87 -2.94 114.38 114.48 2ahr h ARG 94 Ca 0.03 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2ahr h ARG 94 Cb 0.42 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2ahr h ARG 94 CO 0.01 0.78 0.24 1.25 -1.07 0.00 0.00 179.97 181.18 2ahr h LEU 95 N 0.78 0.86 -1.63 3.04 5.85 -1.08 -2.73 115.31 120.40 2ahr h LEU 95 Ca 0.16 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2ahr h LEU 95 Cb 0.36 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2ahr h LEU 95 CO 0.01 0.80 0.32 0.00 -0.34 0.00 0.00 178.44 179.23 2ahr h ALA 96 N 1.09 1.85 0.00 1.25 0.00 -1.12 -1.02 119.26 121.32 2ahr h ALA 96 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2ahr h ALA 96 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ahr h ALA 96 CO -0.02 0.08 -0.28 1.79 0.00 0.00 0.00 179.25 180.82 2ahr h THR 97 N 0.47 0.69 0.00 0.00 1.35 -1.36 0.34 112.91 114.41 2ahr h THR 97 Ca 0.20 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 2ahr h THR 97 Cb 0.21 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2ahr h THR 97 CO -0.05 0.28 -0.57 -0.26 -0.25 0.00 0.00 175.52 174.67 2ahr h PHE 98 N 0.00 0.00 0.00 4.73 0.04 -1.10 -3.42 116.94 117.19 2ahr h PHE 98 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ahr h PHE 98 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2ahr h PHE 98 CO 0.00 0.06 -0.20 0.28 -0.60 0.00 0.00 178.31 177.84 2ahr n VAL 99 N -2.90 0.00 0.00 -0.55 0.31 -0.84 -3.74 118.33 110.60 2ahr n VAL 99 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2ahr n VAL 99 Cb 0.57 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2ahr n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ahr n GLY 100 N 0.72 4.21 0.43 2.92 0.00 0.12 -4.58 105.19 109.01 2ahr n GLY 100 Ca 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.83 2ahr n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ahr n GLN 101 N -1.25 1.46 -0.27 1.61 1.13 -1.25 -3.81 117.38 115.00 2ahr n GLN 101 Ca 0.00 -0.85 0.07 0.00 -1.94 0.00 0.00 57.00 54.28 2ahr n GLN 101 Cb 0.00 -1.48 0.21 0.00 0.11 0.00 0.00 30.24 29.08 2ahr n GLN 101 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ahr n ASP 102 N -0.02 3.33 -4.62 1.08 5.75 -1.26 -4.99 116.55 115.81 2ahr n ASP 102 Ca 0.17 -2.12 -0.34 0.00 -0.01 0.00 0.00 54.79 52.49 2ahr n ASP 102 Cb 0.36 -0.33 -0.10 0.00 -1.03 0.00 0.00 41.12 40.01 2ahr n ASP 102 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ahr s LEU 103 N -1.21 3.56 0.11 -2.12 1.43 -1.25 -5.08 118.68 114.12 2ahr s LEU 103 Ca 0.32 0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 2ahr s LEU 103 Cb 0.18 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 2ahr s LEU 103 CO 0.19 0.26 1.59 -2.84 0.23 0.00 0.00 176.35 175.78 2ahr s PRO 104 N -0.18 4.22 -0.02 1.29 0.02 -1.26 -4.83 135.00 134.24 2ahr s PRO 104 Ca 0.05 2.31 0.05 0.00 0.02 0.00 0.00 61.00 63.43 2ahr s PRO 104 Cb -0.12 -3.40 -0.01 0.00 0.02 0.00 0.00 34.50 30.99 2ahr s PRO 104 CO 0.02 -0.65 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.36 2ahr s LEU 105 N 1.92 2.02 0.06 -5.54 1.43 -1.26 -2.47 118.68 114.85 2ahr s LEU 105 Ca 0.71 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2ahr s LEU 105 Cb -0.41 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2ahr s LEU 105 CO 0.31 0.20 -0.18 -0.76 0.23 0.00 0.00 176.35 176.15 2ahr s LEU 106 N -0.35 2.22 -0.07 1.79 1.02 0.07 -0.72 118.68 122.64 2ahr s LEU 106 Ca 0.05 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.67 2ahr s LEU 106 Cb -0.07 -0.79 -0.02 0.00 0.02 0.00 0.00 46.19 45.32 2ahr s LEU 106 CO -0.00 0.07 -0.16 -0.13 0.02 0.00 0.00 176.35 176.15 2ahr s ARG 107 N -1.45 2.76 0.00 1.70 0.52 0.53 -0.82 118.95 122.19 2ahr s ARG 107 Ca 0.04 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2ahr s ARG 107 Cb -0.09 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.96 2ahr s ARG 107 CO 0.02 0.47 0.00 0.44 0.02 0.00 0.00 175.30 176.25 2ahr n ILE 108 N 2.75 0.00 0.00 1.52 -5.35 -0.18 -0.92 119.36 117.18 2ahr n ILE 108 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2ahr n ILE 108 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2ahr n ILE 108 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2ahr n PRO 110 N 0.00 -2.38 0.00 6.28 -0.04 -1.26 -4.41 135.00 133.19 2ahr n PRO 110 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ahr n PRO 110 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ahr n PRO 110 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ahr n ASN 111 N 0.00 0.00 0.00 3.54 0.23 -1.26 -4.51 115.26 113.26 2ahr n ASN 111 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2ahr n ASN 111 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2ahr n ASN 111 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ahr n ASN 113 N 0.00 0.00 -0.31 0.53 5.03 -1.26 -4.64 115.26 114.61 2ahr n ASN 113 Ca 0.00 0.00 0.29 0.00 0.87 0.00 0.00 54.58 55.74 2ahr n ASN 113 Cb 0.00 -0.61 0.64 0.00 -1.02 0.00 0.00 39.78 38.79 2ahr n ASN 113 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ahr h ALA 114 N 0.00 2.71 -0.40 5.41 0.00 -1.83 0.13 119.26 125.28 2ahr h ALA 114 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2ahr h ALA 114 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ahr h ALA 114 CO 0.00 -1.07 0.33 1.96 0.00 0.00 0.00 179.25 180.47 2ahr h GLN 115 N 0.17 0.00 -0.11 0.00 4.20 -1.82 0.22 115.11 117.77 2ahr h GLN 115 Ca 0.57 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.28 2ahr h GLN 115 Cb 1.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.66 2ahr h GLN 115 CO -0.14 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.46 2ahr n ILE 116 N -4.12 1.76 -3.23 2.54 -5.35 -0.49 -4.97 119.36 105.51 2ahr n ILE 116 Ca 0.07 -1.82 -0.22 0.00 -0.27 0.00 0.00 62.75 60.51 2ahr n ILE 116 Cb 0.52 -0.05 0.05 0.00 -1.74 0.00 0.00 39.64 38.43 2ahr n ILE 116 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2ahr n LEU 117 N -0.83 -2.95 -1.45 7.28 4.77 0.78 -4.91 117.00 119.69 2ahr n LEU 117 Ca 0.14 -0.38 0.02 0.00 -0.03 0.00 0.00 56.01 55.76 2ahr n LEU 117 Cb 0.62 -2.84 0.08 0.00 -2.33 0.00 0.00 43.42 38.95 2ahr n LEU 117 CO 0.05 0.41 0.15 0.00 -1.33 0.00 0.00 177.39 176.67 2ahr n GLN 118 N -4.24 0.97 -1.71 3.23 6.02 0.32 -2.97 117.38 119.00 2ahr n GLN 118 Ca -0.05 -2.75 -0.37 0.00 -0.01 0.00 0.00 57.00 53.82 2ahr n GLN 118 Cb 0.59 -0.86 0.07 0.00 1.02 0.00 0.00 30.24 31.05 2ahr n GLN 118 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ahr n SER 119 N -0.21 1.91 -4.16 1.08 2.88 -0.48 -4.65 113.62 109.99 2ahr n SER 119 Ca 0.13 0.83 -0.38 0.00 -1.33 0.00 0.00 58.87 58.12 2ahr n SER 119 Cb 0.95 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 62.77 2ahr n SER 119 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ahr s SER 120 N -1.36 5.41 -0.18 -3.46 0.01 -1.26 -0.82 113.70 112.04 2ahr s SER 120 Ca 0.82 -1.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.14 2ahr s SER 120 Cb -0.38 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 2ahr s SER 120 CO 0.41 -0.58 -0.08 -0.89 0.41 0.00 0.00 173.24 172.52 2ahr s THR 121 N 1.24 3.25 0.38 1.44 2.01 -0.80 -4.47 115.64 118.69 2ahr s THR 121 Ca 0.06 -0.56 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 2ahr s THR 121 Cb -0.24 -2.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 2ahr s THR 121 CO -0.02 0.47 0.90 0.00 -0.69 0.00 0.00 174.62 175.27 2ahr s ALA 122 N 1.02 3.14 -0.02 7.40 0.00 -1.26 0.48 121.76 132.52 2ahr s ALA 122 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2ahr s ALA 122 Cb -0.15 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2ahr s ALA 122 CO -0.01 0.19 0.03 -1.17 0.00 0.00 0.00 175.76 174.80 2ahr s LEU 123 N -2.92 1.15 0.10 0.00 2.96 -0.25 -4.09 118.68 115.64 2ahr s LEU 123 Ca 0.58 0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 2ahr s LEU 123 Cb -0.11 -0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.52 2ahr s LEU 123 CO 0.16 -0.12 0.25 0.28 -1.32 0.00 0.00 176.35 175.60 2ahr s THR 124 N 0.99 0.12 0.10 3.68 -1.32 -0.10 -3.30 115.64 115.82 2ahr s THR 124 Ca -0.08 -1.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.42 2ahr s THR 124 Cb -0.12 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2ahr s THR 124 CO -0.03 -0.55 -0.10 -0.83 -2.21 0.00 0.00 174.62 170.91 2ahr s GLY 125 N -2.85 0.86 1.09 6.08 0.00 -1.26 -0.34 107.32 110.90 2ahr s GLY 125 Ca 0.05 -1.25 -0.18 0.00 0.00 0.00 0.00 44.72 43.34 2ahr s GLY 125 CO -0.11 -1.33 1.20 0.54 0.00 0.00 0.00 173.10 173.40 2ahr s ASN 126 N -2.62 1.97 0.31 1.64 2.20 0.11 -4.91 114.94 113.64 2ahr s ASN 126 Ca 0.08 0.49 0.23 0.00 -0.94 0.00 0.00 52.86 52.72 2ahr s ASN 126 Cb -0.01 -0.67 1.12 0.00 -2.00 0.00 0.00 41.25 39.70 2ahr s ASN 126 CO -0.01 -3.46 1.71 0.00 -2.94 0.00 0.00 177.10 172.41 2ahr h ALA 127 N -2.13 1.00 -0.00 3.54 0.00 -1.96 -2.15 119.26 117.56 2ahr h ALA 127 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ahr h ALA 127 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ahr h ALA 127 CO 0.37 0.00 -0.19 1.28 0.00 0.00 0.00 179.25 180.71 2ahr n LEU 128 N -2.29 0.36 -4.66 0.00 4.77 -1.26 -4.84 117.00 109.08 2ahr n LEU 128 Ca 0.00 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 2ahr n LEU 128 Cb 0.13 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2ahr n LEU 128 CO 0.15 0.08 0.61 -0.69 -1.33 0.00 0.00 177.39 176.21 2ahr s VAL 129 N -2.78 4.87 0.74 4.08 1.01 -0.81 -4.57 120.40 122.94 2ahr s VAL 129 Ca 0.19 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.63 2ahr s VAL 129 Cb 0.19 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.49 2ahr s VAL 129 CO 0.56 -0.01 1.09 -0.94 0.00 0.00 0.00 175.10 175.79 2ahr s SER 130 N 1.25 5.08 0.24 3.32 1.04 -1.26 -4.89 113.70 118.48 2ahr s SER 130 Ca 0.36 1.24 -0.05 0.00 0.48 0.00 0.00 55.95 57.98 2ahr s SER 130 Cb -0.16 -2.02 0.44 0.00 0.10 0.00 0.00 66.02 64.38 2ahr s SER 130 CO 0.10 -1.59 1.72 1.56 0.98 0.00 0.00 173.24 176.01 2ahr h GLN 131 N -0.82 0.37 -0.38 4.02 1.08 -1.99 -1.22 115.11 116.16 2ahr h GLN 131 Ca -0.46 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 56.60 2ahr h GLN 131 Cb 1.25 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 2ahr h GLN 131 CO 0.61 0.25 -0.24 0.93 -0.95 0.00 0.00 178.83 179.43 2ahr h GLU 132 N 0.38 0.84 -0.50 1.46 5.08 -1.99 -1.88 114.58 117.98 2ahr h GLU 132 Ca 0.40 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2ahr h GLU 132 Cb 0.63 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2ahr h GLU 132 CO -0.43 1.03 -0.03 1.25 -1.00 0.00 0.00 179.01 179.83 2ahr h LEU 133 N 0.64 0.89 -0.68 1.33 5.85 -1.89 -0.66 115.31 120.79 2ahr h LEU 133 Ca 0.08 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2ahr h LEU 133 Cb 0.80 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2ahr h LEU 133 CO 0.07 1.00 0.34 -0.61 -0.34 0.00 0.00 178.44 178.89 2ahr h GLN 134 N 0.76 0.98 -0.73 1.25 4.15 -1.15 -1.16 115.11 119.21 2ahr h GLN 134 Ca 0.14 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2ahr h GLN 134 Cb 0.56 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2ahr h GLN 134 CO 0.03 0.77 0.26 0.00 -1.93 0.00 0.00 178.83 177.95 2ahr h ALA 135 N 1.16 1.07 -0.71 3.38 0.00 -1.18 0.33 119.26 123.32 2ahr h ALA 135 Ca 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2ahr h ALA 135 Cb 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2ahr h ALA 135 CO -0.03 0.64 0.17 0.00 0.00 0.00 0.00 179.25 180.03 2ahr h ARG 136 N 1.07 1.13 -0.12 0.00 3.08 -0.77 -1.37 114.38 117.40 2ahr h ARG 136 Ca 0.24 -0.27 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 2ahr h ARG 136 Cb 0.26 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2ahr h ARG 136 CO -0.01 1.00 -0.72 0.28 -1.07 0.00 0.00 179.97 179.44 2ahr h VAL 137 N 1.07 1.34 -0.67 2.04 2.07 -0.88 -2.86 116.25 118.35 2ahr h VAL 137 Ca 0.22 -2.03 0.04 0.00 0.82 0.00 0.00 66.70 65.75 2ahr h VAL 137 Cb 0.37 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 2ahr h VAL 137 CO 0.00 0.63 0.44 -0.09 0.02 0.00 0.00 177.57 178.57 2ahr h ARG 138 N 0.39 0.76 -0.84 1.57 2.43 -0.20 -0.64 114.38 117.84 2ahr h ARG 138 Ca -0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2ahr h ARG 138 Cb 1.31 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 2ahr h ARG 138 CO 0.13 0.50 0.55 -0.44 -1.51 0.00 0.00 179.97 179.20 2ahr h ASP 139 N 0.78 0.93 -0.26 -3.80 3.32 -1.05 0.13 116.42 116.46 2ahr h ASP 139 Ca 0.27 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2ahr h ASP 139 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2ahr h ASP 139 CO -0.08 0.65 0.14 -0.07 -1.72 0.00 0.00 179.24 178.16 2ahr h LEU 140 N 1.09 0.33 -0.64 1.55 4.07 -0.99 -2.91 115.31 117.80 2ahr h LEU 140 Ca 0.33 -0.08 -0.13 0.00 0.08 0.00 0.00 57.88 58.07 2ahr h LEU 140 Cb -0.04 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2ahr h LEU 140 CO -0.10 0.32 -0.38 0.71 -1.08 0.00 0.00 178.44 177.90 2ahr h THR 141 N 0.31 1.29 0.00 0.22 1.35 -0.95 -2.43 112.91 112.71 2ahr h THR 141 Ca 0.09 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2ahr h THR 141 Cb 0.06 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2ahr h THR 141 CO -0.02 0.49 0.00 0.44 -0.25 0.00 0.00 175.52 176.19 2ahr h ASP 142 N 0.53 0.00 1.43 5.36 3.32 -0.92 -2.29 116.42 123.84 2ahr h ASP 142 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2ahr h ASP 142 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2ahr h ASP 142 CO 0.08 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.37 2ahr h SER 143 N 0.00 0.00 0.00 6.45 4.64 -1.23 -3.27 113.55 120.14 2ahr h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ahr h SER 143 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2ahr h SER 143 CO 0.00 0.00 -0.11 2.22 -0.87 0.00 0.00 176.83 178.07 2ahr n PHE 144 N -2.86 0.00 0.00 4.77 1.16 -0.87 -4.54 117.46 115.11 2ahr n PHE 144 Ca 0.03 -0.71 0.00 0.00 -1.87 0.00 0.00 57.45 54.90 2ahr n PHE 144 Cb 0.40 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.16 2ahr n PHE 144 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ahr n GLY 145 N -1.00 -0.34 3.99 4.97 0.00 -1.14 -1.38 105.19 110.29 2ahr n GLY 145 Ca 0.11 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2ahr n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ahr s SER 146 N -4.00 5.83 -0.06 1.61 0.01 0.00 -4.27 113.70 112.83 2ahr s SER 146 Ca 0.00 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 56.99 2ahr s SER 146 Cb 0.00 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.23 2ahr s SER 146 CO 0.00 -0.55 -0.11 -0.89 0.41 0.00 0.00 173.24 172.10 2ahr s THR 147 N -2.24 1.03 -0.14 1.44 2.01 -1.26 -1.91 115.64 114.57 2ahr s THR 147 Ca 0.48 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 2ahr s THR 147 Cb -0.09 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2ahr s THR 147 CO 0.32 0.33 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.15 2ahr s PHE 148 N 0.67 2.96 -0.78 4.92 0.08 0.18 -4.95 117.98 121.07 2ahr s PHE 148 Ca -0.14 -0.36 -0.24 0.00 0.12 0.00 0.00 56.93 56.32 2ahr s PHE 148 Cb -0.15 -1.91 0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2ahr s PHE 148 CO 0.03 -0.05 1.19 0.34 -0.10 0.00 0.00 175.22 176.64 2ahr s ASP 149 N 0.25 6.27 -0.07 1.36 3.68 -1.26 -1.09 116.67 125.81 2ahr s ASP 149 Ca -0.05 -0.96 0.04 0.00 2.13 0.00 0.00 52.55 53.71 2ahr s ASP 149 Cb -0.14 -2.50 -0.01 0.00 -1.45 0.00 0.00 42.92 38.81 2ahr s ASP 149 CO 0.04 -1.57 -0.20 -0.63 0.13 0.00 0.00 175.17 172.93 2ahr s ILE 150 N 4.75 2.49 0.55 4.11 -1.09 -1.21 -5.00 121.20 125.80 2ahr s ILE 150 Ca 0.32 -0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 57.63 2ahr s ILE 150 Cb -0.09 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.79 2ahr s ILE 150 CO 0.07 0.56 1.34 -0.44 -1.23 0.00 0.00 174.94 175.24 2ahr s SER 151 N -0.13 5.25 0.51 3.58 0.01 -1.26 -4.53 113.70 117.13 2ahr s SER 151 Ca -0.03 2.72 0.20 0.00 1.31 0.00 0.00 55.95 60.15 2ahr s SER 151 Cb -0.14 -2.63 1.32 0.00 0.21 0.00 0.00 66.02 64.78 2ahr s SER 151 CO 0.04 -1.58 2.10 -0.08 0.41 0.00 0.00 173.24 174.13 2ahr h GLU 152 N 1.38 0.00 0.00 12.44 4.81 -1.97 -0.93 114.58 130.31 2ahr h GLU 152 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2ahr h GLU 152 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2ahr h GLU 152 CO 0.57 0.09 0.00 0.36 -0.73 0.00 0.00 179.01 179.30 2ahr n LYS 153 N -4.16 0.12 -0.16 1.92 2.85 -1.26 -1.96 118.16 115.51 2ahr n LYS 153 Ca -0.03 0.41 0.08 0.00 -1.05 0.00 0.00 58.31 57.72 2ahr n LYS 153 Cb 0.17 -1.76 0.16 0.00 -0.65 0.00 0.00 35.03 32.96 2ahr n LYS 153 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ahr n ASP 154 N -1.99 2.97 -0.02 -5.58 8.00 -0.36 -4.65 116.55 114.91 2ahr n ASP 154 Ca 0.02 -1.88 -0.02 0.00 0.71 0.00 0.00 54.79 53.63 2ahr n ASP 154 Cb 0.18 -0.21 0.25 0.00 -0.02 0.00 0.00 41.12 41.31 2ahr n ASP 154 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2ahr h PHE 155 N 3.03 0.61 -0.28 1.24 -1.00 -1.40 -1.56 116.94 117.57 2ahr h PHE 155 Ca 0.00 -0.08 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 2ahr h PHE 155 Cb 0.77 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 2ahr h PHE 155 CO 0.21 0.62 -0.25 -0.44 -1.61 0.00 0.00 178.31 176.84 2ahr h ASP 156 N 0.55 0.71 -0.83 2.17 3.32 -1.82 0.89 116.42 121.40 2ahr h ASP 156 Ca 0.11 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 2ahr h ASP 156 Cb 0.41 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2ahr h ASP 156 CO 0.02 1.02 0.38 0.74 -1.72 0.00 0.00 179.24 179.69 2ahr h THR 157 N 0.41 1.26 -0.37 0.35 2.02 -1.87 -2.62 112.91 112.09 2ahr h THR 157 Ca 0.05 -0.75 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 2ahr h THR 157 Cb 0.81 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2ahr h THR 157 CO 0.06 0.32 -0.34 0.15 0.37 0.00 0.00 175.52 176.08 2ahr h PHE 158 N 1.19 1.01 -0.93 3.16 3.57 -1.11 -0.91 116.94 122.93 2ahr h PHE 158 Ca 0.28 -0.28 0.19 0.00 3.53 0.00 0.00 57.97 61.69 2ahr h PHE 158 Cb 0.14 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.55 2ahr h PHE 158 CO 0.02 1.07 0.50 1.15 -2.23 0.00 0.00 178.31 178.82 2ahr h THR 159 N 0.71 0.64 -0.02 4.41 2.02 -0.64 0.21 112.91 120.24 2ahr h THR 159 Ca 0.07 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 2ahr h THR 159 Cb 0.91 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2ahr h THR 159 CO 0.08 0.11 -0.50 0.00 0.37 0.00 0.00 175.52 175.58 2ahr h ALA 160 N 1.64 0.09 0.00 6.16 0.00 -1.09 0.15 119.26 126.22 2ahr h ALA 160 Ca 0.55 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2ahr h ALA 160 Cb 0.89 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2ahr h ALA 160 CO -0.42 0.29 -0.53 -0.07 0.00 0.00 0.00 179.25 178.53 2ahr h LEU 161 N -0.15 0.00 0.00 0.00 3.38 -0.78 -2.83 115.31 114.93 2ahr h LEU 161 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ahr h LEU 161 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2ahr h LEU 161 CO 0.10 0.53 -0.85 0.00 0.09 0.00 0.00 178.44 178.31 2ahr n ALA 162 N -2.41 1.95 -0.00 1.53 0.00 0.03 -4.47 120.51 117.13 2ahr n ALA 162 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 2ahr n ALA 162 Cb 0.55 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 20.22 2ahr n ALA 162 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ahr h GLY 163 N 0.00 0.21 0.58 0.00 0.00 -1.15 -3.39 103.07 99.32 2ahr h GLY 163 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 47.33 46.53 2ahr h GLY 163 CO 0.00 0.45 -1.91 1.44 0.00 0.00 0.00 176.54 176.53 2ahr n SER 164 N -4.33 0.51 0.06 0.19 7.64 0.40 -4.48 113.62 113.61 2ahr n SER 164 Ca -0.12 0.24 0.13 0.00 1.01 0.00 0.00 58.87 60.13 2ahr n SER 164 Cb 0.67 0.48 0.60 0.00 -1.01 0.00 0.00 64.21 64.95 2ahr n SER 164 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ahr h SER 165 N 0.00 0.14 -0.92 6.43 4.64 -1.68 -1.44 113.55 120.72 2ahr h SER 165 Ca -0.34 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.18 2ahr h SER 165 Cb 1.95 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 63.90 2ahr h SER 165 CO 0.05 0.09 0.48 -0.65 -0.87 0.00 0.00 176.83 175.93 2ahr h PRO 166 N 0.16 0.55 -0.61 4.77 0.11 -1.78 0.16 132.00 135.35 2ahr h PRO 166 Ca 0.17 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 2ahr h PRO 166 Cb 0.49 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 2ahr h PRO 166 CO -0.03 0.36 0.28 0.00 -0.21 0.00 0.00 178.00 178.41 2ahr h ALA 167 N 1.65 1.36 -0.18 -0.75 0.00 -1.58 -0.05 119.26 119.70 2ahr h ALA 167 Ca 0.55 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 2ahr h ALA 167 Cb 0.93 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ahr h ALA 167 CO -0.44 0.50 -0.64 1.88 0.00 0.00 0.00 179.25 180.55 2ahr h TYR 168 N 0.86 0.86 -0.48 0.00 0.05 -1.07 -1.07 116.97 116.13 2ahr h TYR 168 Ca 0.21 -0.34 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 2ahr h TYR 168 Cb 0.10 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2ahr h TYR 168 CO 0.01 1.13 0.24 0.82 -1.05 0.00 0.00 178.16 179.30 2ahr h ILE 169 N 0.49 1.19 -0.73 -2.88 2.04 -0.50 -1.55 117.51 115.56 2ahr h ILE 169 Ca -0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2ahr h ILE 169 Cb 1.23 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2ahr h ILE 169 CO 0.13 0.20 0.34 1.88 0.00 0.00 0.00 178.15 180.70 2ahr h TYR 170 N 0.63 1.06 -0.63 1.37 0.05 -0.82 -0.29 116.97 118.34 2ahr h TYR 170 Ca 0.17 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 2ahr h TYR 170 Cb 0.11 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 2ahr h TYR 170 CO -0.01 0.79 0.19 1.25 -1.05 0.00 0.00 178.16 179.33 2ahr h LEU 171 N 1.03 0.93 -0.46 3.88 5.85 -1.05 0.14 115.31 125.63 2ahr h LEU 171 Ca 0.25 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2ahr h LEU 171 Cb 0.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2ahr h LEU 171 CO -0.03 0.90 0.30 0.15 -0.34 0.00 0.00 178.44 179.42 2ahr h PHE 172 N 0.92 0.57 -0.47 1.25 3.57 -1.15 0.16 116.94 121.78 2ahr h PHE 172 Ca 0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2ahr h PHE 172 Cb 0.31 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2ahr h PHE 172 CO 0.02 0.36 0.16 0.82 -2.23 0.00 0.00 178.31 177.44 2ahr h ILE 173 N 0.61 1.22 -0.69 1.41 2.04 -0.75 -2.31 117.51 119.05 2ahr h ILE 173 Ca 0.17 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2ahr h ILE 173 Cb -0.06 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2ahr h ILE 173 CO -0.04 0.26 0.41 -0.08 0.00 0.00 0.00 178.15 178.70 2ahr h GLU 174 N 0.62 0.93 -0.23 2.37 4.57 -0.51 -1.80 114.58 120.54 2ahr h GLU 174 Ca 0.15 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2ahr h GLU 174 Cb 0.24 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2ahr h GLU 174 CO -0.01 0.66 0.05 0.00 -1.18 0.00 0.00 179.01 178.53 2ahr h ALA 175 N 1.50 0.30 -0.56 2.92 0.00 -0.58 0.27 119.26 123.12 2ahr h ALA 175 Ca 0.25 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2ahr h ALA 175 Cb -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2ahr h ALA 175 CO -0.05 -0.05 0.33 -0.07 0.00 0.00 0.00 179.25 179.42 2ahr h LEU 176 N 0.19 0.54 -0.44 0.00 3.38 -1.23 -1.67 115.31 116.09 2ahr h LEU 176 Ca 0.07 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2ahr h LEU 176 Cb 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ahr h LEU 176 CO 0.00 0.38 -0.00 0.00 0.09 0.00 0.00 178.44 178.91 2ahr h ALA 177 N 1.25 0.59 -0.46 1.53 0.00 -1.09 -1.51 119.26 119.57 2ahr h ALA 177 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ahr h ALA 177 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ahr h ALA 177 CO -0.10 0.38 0.19 0.87 0.00 0.00 0.00 179.25 180.58 2ahr h LYS 178 N 0.61 0.65 -0.28 0.00 1.79 -0.38 -0.67 116.57 118.29 2ahr h LYS 178 Ca 0.12 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 2ahr h LYS 178 Cb 0.49 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2ahr h LYS 178 CO 0.02 0.54 -0.25 0.00 -1.08 0.00 0.00 179.45 178.68 2ahr h ALA 179 N 1.56 1.05 -0.71 3.86 0.00 -1.01 0.42 119.26 124.44 2ahr h ALA 179 Ca 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ahr h ALA 179 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2ahr h ALA 179 CO -0.02 0.58 0.39 0.78 0.00 0.00 0.00 179.25 180.98 2ahr h GLY 180 N 1.01 1.07 0.92 0.00 0.00 -0.52 -2.45 103.07 103.10 2ahr h GLY 180 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2ahr h GLY 180 CO 0.05 0.47 0.02 -2.08 0.00 0.00 0.00 176.54 175.00 2ahr h VAL 181 N 0.98 1.07 -0.94 4.60 2.07 -0.44 0.12 116.25 123.71 2ahr h VAL 181 Ca 0.25 -0.20 0.23 0.00 0.82 0.00 0.00 66.70 67.80 2ahr h VAL 181 Cb 0.04 1.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 2ahr h VAL 181 CO -0.04 0.06 0.49 0.50 0.02 0.00 0.00 177.57 178.60 2ahr h LYS 182 N -0.03 0.48 -0.67 1.57 3.64 -0.86 -1.79 116.57 118.91 2ahr h LYS 182 Ca 0.01 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2ahr h LYS 182 Cb 0.08 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 2ahr h LYS 182 CO -0.00 0.32 0.10 0.09 -2.27 0.00 0.00 179.45 177.68 2ahr n ASN 183 N -4.96 5.21 0.00 4.20 3.02 -0.93 -4.92 115.26 116.87 2ahr n ASN 183 Ca 0.24 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 2ahr n ASN 183 Cb 0.69 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2ahr n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ahr n GLY 184 N 0.34 0.55 3.63 7.41 0.00 -0.67 -5.00 105.19 111.43 2ahr n GLY 184 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2ahr n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ahr s ILE 185 N -2.00 5.15 0.38 -0.61 1.01 0.37 -4.98 121.20 120.51 2ahr s ILE 185 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 2ahr s ILE 185 Cb 0.00 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 2ahr s ILE 185 CO 0.00 0.36 0.94 -2.65 0.00 0.00 0.00 174.94 173.58 2ahr n PRO 186 N 4.29 1.22 -0.08 2.79 -0.02 -1.26 -2.97 135.00 138.97 2ahr n PRO 186 Ca -0.15 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 2ahr n PRO 186 Cb 0.52 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2ahr n PRO 186 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ahr h LYS 187 N 1.54 -0.29 -0.49 -0.52 1.63 -1.94 0.15 116.57 116.65 2ahr h LYS 187 Ca -0.42 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.46 2ahr h LYS 187 Cb 1.35 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.99 2ahr h LYS 187 CO 0.57 -0.19 0.19 0.00 -3.45 0.00 0.00 179.45 176.57 2ahr h ALA 188 N 0.63 0.60 -0.41 5.00 0.00 -1.97 0.17 119.26 123.28 2ahr h ALA 188 Ca 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ahr h ALA 188 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ahr h ALA 188 CO -0.47 -0.19 0.13 -0.22 0.00 0.00 0.00 179.25 178.50 2ahr h LYS 189 N 0.38 0.64 -0.63 0.00 1.63 -1.78 -1.06 116.57 115.75 2ahr h LYS 189 Ca 0.23 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2ahr h LYS 189 Cb 0.21 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 2ahr h LYS 189 CO -0.21 0.63 0.30 0.00 -3.45 0.00 0.00 179.45 176.72 2ahr h ALA 190 N 0.98 0.82 -0.76 5.00 0.00 -0.13 -1.62 119.26 123.53 2ahr h ALA 190 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2ahr h ALA 190 Cb 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ahr h ALA 190 CO -0.00 0.38 0.33 -0.07 0.00 0.00 0.00 179.25 179.89 2ahr h LEU 191 N 0.87 1.03 -0.01 0.00 3.38 -0.52 -1.17 115.31 118.89 2ahr h LEU 191 Ca 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ahr h LEU 191 Cb 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2ahr h LEU 191 CO -0.03 0.90 0.01 -0.08 0.09 0.00 0.00 178.44 179.33 2ahr h GLU 192 N 1.09 0.02 -0.03 1.13 4.81 -0.85 0.56 114.58 121.31 2ahr h GLU 192 Ca 0.26 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2ahr h GLU 192 Cb 0.17 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2ahr h GLU 192 CO -0.03 0.14 0.01 0.82 -0.73 0.00 0.00 179.01 179.23 2ahr h ILE 193 N -0.11 0.99 -0.17 2.32 2.04 -1.19 -2.24 117.51 119.15 2ahr h ILE 193 Ca 0.00 -0.01 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 2ahr h ILE 193 Cb 0.13 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2ahr h ILE 193 CO -0.00 0.00 -0.66 -0.37 0.00 0.00 0.00 178.15 177.13 2ahr h VAL 194 N 0.02 1.31 -0.71 1.67 -1.51 -1.13 -2.00 116.25 113.90 2ahr h VAL 194 Ca 0.01 -1.92 0.03 0.00 -1.23 0.00 0.00 66.70 63.60 2ahr h VAL 194 Cb 0.00 1.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.00 2ahr h VAL 194 CO -0.01 0.60 0.45 0.74 -1.23 0.00 0.00 177.57 178.11 2ahr h THR 195 N 0.47 1.09 -0.33 7.19 2.02 -0.87 0.26 112.91 122.74 2ahr h THR 195 Ca -0.02 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 2ahr h THR 195 Cb 1.24 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2ahr h THR 195 CO 0.13 0.16 -0.25 1.56 0.37 0.00 0.00 175.52 177.49 2ahr h GLN 196 N 0.87 0.65 -0.31 6.66 4.20 -1.37 -0.86 115.11 124.95 2ahr h GLN 196 Ca 0.29 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 2ahr h GLN 196 Cb 0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2ahr h GLN 196 CO -0.11 0.84 -0.39 1.15 -0.67 0.00 0.00 178.83 179.65 2ahr h THR 197 N 0.57 1.29 0.00 -0.54 2.02 -0.75 -1.53 112.91 113.98 2ahr h THR 197 Ca 0.08 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 65.70 2ahr h THR 197 Cb 0.73 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2ahr h THR 197 CO 0.06 0.51 -0.00 0.58 0.37 0.00 0.00 175.52 177.03 2ahr h VAL 198 N 0.60 1.18 -0.25 3.16 2.07 -0.25 -0.39 116.25 122.38 2ahr h VAL 198 Ca 0.05 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2ahr h VAL 198 Cb 0.93 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.18 2ahr h VAL 198 CO 0.08 0.14 -0.34 -0.07 0.02 0.00 0.00 177.57 177.41 2ahr h LEU 199 N -0.24 -1.09 -0.85 2.57 3.38 -1.13 -1.08 115.31 116.87 2ahr h LEU 199 Ca -0.00 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2ahr h LEU 199 Cb 0.24 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2ahr h LEU 199 CO 0.00 -0.35 0.21 0.00 0.09 0.00 0.00 178.44 178.39 2ahr h ALA 200 N 0.51 1.07 -0.49 1.53 0.00 -1.23 -1.69 119.26 118.95 2ahr h ALA 200 Ca 0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2ahr h ALA 200 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2ahr h ALA 200 CO -0.44 0.63 -0.08 0.77 0.00 0.00 0.00 179.25 180.13 2ahr h SER 201 N 1.03 0.91 -0.43 0.00 0.02 -0.83 -0.88 113.55 113.38 2ahr h SER 201 Ca 0.23 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 2ahr h SER 201 Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2ahr h SER 201 CO -0.01 1.04 -0.06 0.00 -1.14 0.00 0.00 176.83 176.66 2ahr h ALA 202 N 0.90 0.96 -0.52 3.77 0.00 -1.05 -1.50 119.26 121.82 2ahr h ALA 202 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2ahr h ALA 202 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ahr h ALA 202 CO 0.04 0.62 0.04 0.77 0.00 0.00 0.00 179.25 180.72 2ahr h SER 203 N 0.79 0.87 -0.23 0.00 0.02 -1.08 -0.10 113.55 113.81 2ahr h SER 203 Ca 0.14 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2ahr h SER 203 Cb 0.56 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2ahr h SER 203 CO 0.03 0.94 0.12 -1.13 -1.14 0.00 0.00 176.83 175.65 2ahr h ASN 204 N 0.77 0.28 -0.27 3.07 -1.24 -1.02 -1.09 115.58 116.09 2ahr h ASN 204 Ca 0.15 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.11 2ahr h ASN 204 Cb 0.47 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2ahr h ASN 204 CO 0.02 0.29 0.07 0.25 -1.29 0.00 0.00 177.43 176.76 2ahr h LEU 205 N 0.26 0.05 -0.58 0.34 5.85 -1.17 -2.38 115.31 117.68 2ahr h LEU 205 Ca 0.08 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2ahr h LEU 205 Cb 0.07 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2ahr h LEU 205 CO -0.01 0.06 0.21 0.50 -0.34 0.00 0.00 178.44 178.86 2ahr h LYS 206 N 0.18 0.38 -0.15 1.25 3.64 -0.51 -2.60 116.57 118.76 2ahr h LYS 206 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2ahr h LYS 206 Cb 0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2ahr h LYS 206 CO -0.14 0.25 0.00 0.25 -2.27 0.00 0.00 179.45 177.54 2ahr n THR 207 N -5.00 0.19 -4.16 1.00 -2.24 -0.46 -4.89 114.28 98.72 2ahr n THR 207 Ca 0.08 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 2ahr n THR 207 Cb 0.25 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 2ahr n THR 207 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ahr s SER 208 N -1.70 5.09 0.00 3.42 0.15 -0.90 -5.02 113.70 114.74 2ahr s SER 208 Ca 0.34 -0.30 0.26 0.00 0.70 0.00 0.00 55.95 56.95 2ahr s SER 208 Cb 0.19 -1.19 0.76 0.00 -1.71 0.00 0.00 66.02 64.08 2ahr s SER 208 CO 0.29 0.07 1.60 -1.54 1.20 0.00 0.00 173.24 174.85 2ahr n SER 209 N -0.33 0.34 -4.78 5.45 3.41 -1.26 -4.92 113.62 111.53 2ahr n SER 209 Ca -0.09 -0.02 -0.36 0.00 -0.26 0.00 0.00 58.87 58.14 2ahr n SER 209 Cb 0.55 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2ahr n SER 209 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ahr s GLN 210 N -2.98 3.94 0.73 4.33 -0.21 -1.26 -5.06 119.66 119.14 2ahr s GLN 210 Ca 0.13 1.57 -0.11 0.00 0.02 0.00 0.00 55.36 56.96 2ahr s GLN 210 Cb 0.18 -2.40 0.03 0.00 1.00 0.00 0.00 33.01 31.82 2ahr s GLN 210 CO 0.64 -0.35 1.09 -1.54 -2.12 0.00 0.00 175.29 173.01 2ahr s SER 211 N -1.59 5.19 0.26 5.90 1.04 -1.26 -4.90 113.70 118.35 2ahr s SER 211 Ca 0.62 1.20 -0.01 0.00 0.48 0.00 0.00 55.95 58.24 2ahr s SER 211 Cb -0.23 -1.99 0.55 0.00 0.10 0.00 0.00 66.02 64.45 2ahr s SER 211 CO 0.28 -1.51 1.73 -0.65 0.98 0.00 0.00 173.24 174.07 2ahr h PRO 212 N -0.77 0.48 -0.15 4.02 0.11 -1.97 -1.98 132.00 131.73 2ahr h PRO 212 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2ahr h PRO 212 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2ahr h PRO 212 CO 0.62 0.32 -0.34 0.45 -0.21 0.00 0.00 178.00 178.84 2ahr h HIS 213 N 0.49 0.34 -0.27 0.65 3.86 -1.99 -1.56 115.15 116.67 2ahr h HIS 213 Ca 0.47 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.63 2ahr h HIS 213 Cb 0.75 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2ahr h HIS 213 CO -0.14 0.61 0.07 -0.44 0.86 0.00 0.00 177.93 178.90 2ahr h ASP 214 N 0.26 0.06 -0.40 2.45 3.32 -1.80 -1.10 116.42 119.22 2ahr h ASP 214 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2ahr h ASP 214 Cb 0.73 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2ahr h ASP 214 CO 0.06 0.07 0.26 -0.26 -1.72 0.00 0.00 179.24 177.65 2ahr h PHE 215 N 0.19 0.50 -0.58 4.55 0.04 -1.10 -2.03 116.94 118.51 2ahr h PHE 215 Ca 0.12 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.98 2ahr h PHE 215 Cb 0.11 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 2ahr h PHE 215 CO -0.15 0.31 0.25 0.82 -0.60 0.00 0.00 178.31 178.94 2ahr h ILE 216 N 0.54 0.85 -0.79 -0.55 2.04 -1.04 0.77 117.51 119.32 2ahr h ILE 216 Ca 0.15 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2ahr h ILE 216 Cb -0.06 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 2ahr h ILE 216 CO -0.03 0.08 0.49 0.44 0.00 0.00 0.00 178.15 179.14 2ahr h ASP 217 N 0.46 0.79 -0.70 1.72 3.32 -1.00 -1.75 116.42 119.26 2ahr h ASP 217 Ca 0.28 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2ahr h ASP 217 Cb 0.28 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2ahr h ASP 217 CO -0.25 0.53 0.27 0.00 -1.72 0.00 0.00 179.24 178.08 2ahr h ALA 218 N 1.35 0.91 0.00 3.45 0.00 -0.42 -3.19 119.26 121.36 2ahr h ALA 218 Ca 0.33 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2ahr h ALA 218 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2ahr h ALA 218 CO -0.14 0.53 -0.73 0.82 0.00 0.00 0.00 179.25 179.73 2ahr h ILE 219 N 1.00 1.40 -1.40 0.00 2.04 -0.61 -3.41 117.51 116.51 2ahr h ILE 219 Ca 0.23 -2.60 -0.67 0.00 1.00 0.00 0.00 64.86 62.82 2ahr h ILE 219 Cb 0.22 2.45 -0.12 0.00 -0.74 0.00 0.00 36.82 38.63 2ahr h ILE 219 CO -0.02 0.71 1.64 0.00 0.00 0.00 0.00 178.15 180.48 2ahr n SER 221 N 7.77 2.76 -4.68 0.00 7.64 -1.26 -4.87 113.62 120.97 2ahr n SER 221 Ca 0.38 1.19 -0.45 0.00 1.01 0.00 0.00 58.87 61.00 2ahr n SER 221 Cb 0.47 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 2ahr n SER 221 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ahr n PRO 222 N 1.04 2.24 -1.76 1.43 -0.02 -1.26 -1.25 135.00 135.42 2ahr n PRO 222 Ca 0.07 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 62.16 2ahr n PRO 222 Cb 0.35 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 2ahr n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ahr n GLY 223 N 2.87 1.29 1.49 -1.23 0.00 -1.26 -4.98 105.19 103.37 2ahr n GLY 223 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2ahr n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ahr n GLY 224 N -0.72 1.41 0.10 -0.02 0.00 -0.38 -5.03 105.19 100.55 2ahr n GLY 224 Ca -0.20 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 2ahr n GLY 224 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ahr h THR 225 N -0.18 1.57 -0.12 2.61 1.35 -1.94 -3.25 112.91 112.95 2ahr h THR 225 Ca -0.11 -3.02 -0.08 0.00 -0.55 0.00 0.00 66.41 62.64 2ahr h THR 225 Cb 0.47 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2ahr h THR 225 CO 0.14 0.87 -0.25 0.74 -0.25 0.00 0.00 175.52 176.78 2ahr h THR 226 N 0.06 1.38 -0.63 6.82 2.02 -1.88 -2.51 112.91 118.17 2ahr h THR 226 Ca -0.06 -1.53 0.05 0.00 0.77 0.00 0.00 66.41 65.64 2ahr h THR 226 Cb 1.73 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 70.17 2ahr h THR 226 CO 0.15 0.45 0.42 -0.29 0.37 0.00 0.00 175.52 176.62 2ahr h ILE 227 N -0.03 1.03 0.21 3.11 6.09 -1.83 0.56 117.51 126.65 2ahr h ILE 227 Ca 0.00 -0.23 -0.00 0.00 -1.37 0.00 0.00 64.86 63.26 2ahr h ILE 227 Cb 0.84 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 2ahr h ILE 227 CO 0.06 0.12 -0.14 0.00 -3.07 0.00 0.00 178.15 175.12 2ahr h ALA 228 N 1.65 -0.33 -0.64 0.18 0.00 -1.54 -2.98 119.26 115.59 2ahr h ALA 228 Ca 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2ahr h ALA 228 Cb 0.22 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2ahr h ALA 228 CO -0.08 -0.70 0.29 0.78 0.00 0.00 0.00 179.25 179.55 2ahr h GLY 229 N -0.35 0.98 -1.59 0.00 0.00 -1.01 -2.62 103.07 98.48 2ahr h GLY 229 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2ahr h GLY 229 CO 0.01 0.45 0.00 -0.10 0.00 0.00 0.00 176.54 176.90 2ahr n LEU 230 N -4.34 0.57 0.00 3.11 7.94 0.15 -1.59 117.00 122.85 2ahr n LEU 230 Ca 0.06 -0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2ahr n LEU 230 Cb 0.14 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2ahr n LEU 230 CO 0.38 0.10 0.00 1.21 -1.11 0.00 0.00 177.39 177.98 2ahr n GLU 232 N 0.66 0.00 -0.26 1.96 4.07 -0.99 -1.44 120.64 124.64 2ahr n GLU 232 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2ahr n GLU 232 Cb 0.10 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.53 2ahr n GLU 232 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ahr h LEU 233 N 0.00 1.01 -0.03 4.31 3.38 -1.59 -1.62 115.31 120.76 2ahr h LEU 233 Ca 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ahr h LEU 233 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2ahr h LEU 233 CO 0.00 0.93 0.01 -0.33 0.09 0.00 0.00 178.44 179.14 2ahr h GLU 234 N 1.04 0.05 -0.71 1.13 4.39 -1.54 -0.74 114.58 118.20 2ahr h GLU 234 Ca 0.23 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.03 2ahr h GLU 234 Cb 0.26 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.82 2ahr h GLU 234 CO -0.01 0.24 0.33 -0.09 -1.16 0.00 0.00 179.01 178.32 2ahr h ARG 235 N -0.14 0.53 -0.01 2.33 2.43 -1.79 -2.09 114.38 115.64 2ahr h ARG 235 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ahr h ARG 235 Cb 0.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2ahr h ARG 235 CO -0.00 0.35 -0.12 1.28 -1.51 0.00 0.00 179.97 179.97 2ahr n LEU 236 N -4.91 1.01 -1.18 3.80 4.77 -0.63 -4.97 117.00 114.90 2ahr n LEU 236 Ca 0.12 -0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2ahr n LEU 236 Cb 0.31 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2ahr n LEU 236 CO 0.23 0.18 0.03 0.61 -1.33 0.00 0.00 177.39 177.11 2ahr n GLY 237 N 1.24 0.54 0.14 -0.72 0.00 -0.39 -4.92 105.19 101.08 2ahr n GLY 237 Ca 0.16 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 2ahr n GLY 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ahr h LEU 238 N -0.40 -0.22 0.08 0.99 5.85 -1.53 0.45 115.31 120.53 2ahr h LEU 238 Ca -0.10 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2ahr h LEU 238 Cb 1.06 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2ahr h LEU 238 CO 0.09 -0.07 -0.04 0.74 -0.34 0.00 0.00 178.44 178.82 2ahr h THR 239 N 0.03 0.97 -0.94 1.05 2.02 -1.94 -1.50 112.91 112.60 2ahr h THR 239 Ca 0.15 -0.18 0.10 0.00 0.77 0.00 0.00 66.41 67.25 2ahr h THR 239 Cb 0.21 1.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 2ahr h THR 239 CO -0.29 0.04 0.58 0.00 0.37 0.00 0.00 175.52 176.23 2ahr h ALA 240 N 0.73 1.37 -0.04 6.16 0.00 -1.94 -1.91 119.26 123.63 2ahr h ALA 240 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ahr h ALA 240 Cb 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ahr h ALA 240 CO 0.02 0.23 0.03 1.15 0.00 0.00 0.00 179.25 180.68 2ahr h THR 241 N 0.97 1.01 -0.35 0.00 2.02 -0.55 0.01 112.91 116.02 2ahr h THR 241 Ca 0.45 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.59 2ahr h THR 241 Cb 0.37 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2ahr h THR 241 CO -0.24 0.01 0.14 0.58 0.37 0.00 0.00 175.52 176.39 2ahr h VAL 242 N 0.05 1.18 -0.51 3.16 2.07 -1.04 -1.49 116.25 119.68 2ahr h VAL 242 Ca 0.01 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 2ahr h VAL 242 Cb -0.00 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2ahr h VAL 242 CO -0.00 0.20 0.00 -1.28 0.02 0.00 0.00 177.57 176.51 2ahr h SER 243 N 0.41 0.88 -0.86 0.57 0.87 -1.29 0.05 113.55 114.20 2ahr h SER 243 Ca 0.12 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2ahr h SER 243 Cb 0.17 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 2ahr h SER 243 CO -0.01 0.97 0.55 -1.28 -0.53 0.00 0.00 176.83 176.54 2ahr h SER 244 N 0.77 1.00 -0.65 6.23 0.87 -0.87 -0.63 113.55 120.27 2ahr h SER 244 Ca 0.15 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2ahr h SER 244 Cb 0.52 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2ahr h SER 244 CO 0.03 0.74 0.20 0.00 -0.53 0.00 0.00 176.83 177.26 2ahr h ALA 245 N 1.44 0.85 -0.41 6.23 0.00 -0.28 -0.81 119.26 126.29 2ahr h ALA 245 Ca 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ahr h ALA 245 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2ahr h ALA 245 CO -0.06 0.53 0.06 0.82 0.00 0.00 0.00 179.25 180.60 2ahr h ILE 246 N 0.94 1.24 -0.43 0.00 1.08 -0.68 -1.05 117.51 118.62 2ahr h ILE 246 Ca 0.21 -0.87 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 2ahr h ILE 246 Cb 0.30 1.02 -0.07 0.00 -3.07 0.00 0.00 36.82 35.00 2ahr h ILE 246 CO -0.01 0.30 -0.05 0.44 -0.69 0.00 0.00 178.15 178.15 2ahr h ASP 247 N 0.53 -0.28 -0.53 1.72 3.32 -0.83 -0.45 116.42 119.90 2ahr h ASP 247 Ca 0.12 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2ahr h ASP 247 Cb 0.37 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2ahr h ASP 247 CO 0.01 -0.09 0.28 0.11 -1.72 0.00 0.00 179.24 177.83 2ahr h LYS 248 N 0.06 0.77 -0.25 3.56 1.79 -0.91 0.18 116.57 121.77 2ahr h LYS 248 Ca 0.21 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2ahr h LYS 248 Cb 0.31 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2ahr h LYS 248 CO -0.39 0.59 0.04 1.15 -1.08 0.00 0.00 179.45 179.76 2ahr h THR 249 N 0.78 1.23 -0.40 -0.16 2.02 -0.61 -1.85 112.91 113.92 2ahr h THR 249 Ca 0.20 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2ahr h THR 249 Cb 0.06 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2ahr h THR 249 CO -0.03 0.24 0.08 0.40 0.37 0.00 0.00 175.52 176.59 2ahr h ILE 250 N 0.22 1.24 -0.71 3.11 2.04 -0.70 -1.45 117.51 121.25 2ahr h ILE 250 Ca 0.07 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.21 2ahr h ILE 250 Cb 0.33 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 2ahr h ILE 250 CO 0.00 0.28 0.33 0.44 0.00 0.00 0.00 178.15 179.21 2ahr h ASP 251 N 0.51 0.40 -0.29 1.72 3.32 -0.57 0.15 116.42 121.66 2ahr h ASP 251 Ca 0.12 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 2ahr h ASP 251 Cb 0.34 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2ahr h ASP 251 CO 0.00 0.22 0.02 0.50 -1.72 0.00 0.00 179.24 178.26 2ahr h LYS 252 N 0.55 0.50 -0.57 3.56 1.63 -1.07 -0.77 116.57 120.40 2ahr h LYS 252 Ca 0.36 -0.15 0.07 0.00 -0.85 0.00 0.00 60.65 60.08 2ahr h LYS 252 Cb 0.42 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 2ahr h LYS 252 CO -0.30 0.63 0.25 0.00 -3.45 0.00 0.00 179.45 176.58 2ahr h ALA 253 N 0.85 0.73 -0.79 5.00 0.00 -0.64 -1.26 119.26 123.15 2ahr h ALA 253 Ca 0.08 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ahr h ALA 253 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2ahr h ALA 253 CO 0.01 -0.13 0.51 0.87 0.00 0.00 0.00 179.25 180.51 2ahr h LYS 254 N 0.47 0.97 0.00 0.00 1.57 -0.32 -2.90 116.57 116.37 2ahr h LYS 254 Ca 0.27 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2ahr h LYS 254 Cb 0.25 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2ahr h LYS 254 CO -0.23 0.64 -0.62 0.66 -0.57 0.00 0.00 179.45 179.34 2ahr h SER 255 N 1.00 0.00 0.00 0.86 4.64 -0.43 -3.51 113.55 116.11 2ahr h SER 255 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2ahr h SER 255 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2ahr h SER 255 CO -0.11 0.62 0.00 0.18 -0.87 0.00 0.00 176.83 176.65