#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p9a s ILE 3 N 0.00 2.06 -0.11 0.00 1.09 -1.26 -4.57 121.20 118.41 2p9a s ILE 3 Ca 0.00 -1.04 -0.15 0.00 -1.10 0.00 0.00 60.65 58.36 2p9a s ILE 3 Cb 0.00 -1.76 -0.05 0.00 -1.06 0.00 0.00 42.46 39.59 2p9a s ILE 3 CO 0.00 0.57 0.36 -0.55 -0.10 0.00 0.00 174.94 175.21 2p9a s SER 4 N 0.10 6.59 -0.32 3.58 0.15 -1.26 -5.07 113.70 117.47 2p9a s SER 4 Ca -0.12 0.70 -0.10 0.00 0.70 0.00 0.00 55.95 57.13 2p9a s SER 4 Cb -0.16 -2.22 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2p9a s SER 4 CO 0.06 0.15 0.16 -0.63 1.20 0.00 0.00 173.24 174.19 2p9a s ILE 5 N 0.03 4.60 0.37 6.45 1.01 -1.26 -4.44 121.20 127.95 2p9a s ILE 5 Ca 0.21 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 2p9a s ILE 5 Cb -0.14 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 2p9a s ILE 5 CO 0.08 0.02 1.16 -0.54 0.00 0.00 0.00 174.94 175.66 2p9a s LYS 6 N 1.60 4.22 0.77 2.79 3.01 -0.49 -4.98 119.74 126.66 2p9a s LYS 6 Ca 0.04 1.85 -0.12 0.00 -1.01 0.00 0.00 55.97 56.73 2p9a s LYS 6 Cb -0.17 -2.81 0.05 0.00 -1.01 0.00 0.00 37.83 33.89 2p9a s LYS 6 CO 0.06 -0.18 1.14 0.95 0.51 0.00 0.00 175.35 177.83 2p9a s THR 7 N -1.35 2.72 0.28 2.17 -4.23 -1.26 -4.79 115.64 109.17 2p9a s THR 7 Ca 0.54 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 61.26 2p9a s THR 7 Cb -0.31 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.60 2p9a s THR 7 CO 0.40 -0.30 1.90 -0.65 -0.54 0.00 0.00 174.62 175.42 2p9a h PRO 8 N -0.91 1.12 -0.53 3.99 0.11 -1.99 0.69 132.00 134.48 2p9a h PRO 8 Ca -0.46 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 2p9a h PRO 8 Cb 1.29 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2p9a h PRO 8 CO 0.64 0.74 0.06 0.93 -0.21 0.00 0.00 178.00 180.16 2p9a h GLU 9 N 1.15 0.90 -0.41 1.05 3.07 -2.00 -2.18 114.58 116.18 2p9a h GLU 9 Ca 0.41 -0.26 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 2p9a h GLU 9 Cb 0.13 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2p9a h GLU 9 CO -0.15 0.89 -0.28 -0.44 -1.40 0.00 0.00 179.01 177.63 2p9a h ASP 10 N 0.79 0.91 -0.75 1.42 5.19 -1.75 -2.43 116.42 119.81 2p9a h ASP 10 Ca 0.16 -0.37 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2p9a h ASP 10 Cb 0.45 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 2p9a h ASP 10 CO 0.02 1.13 0.40 0.40 -3.12 0.00 0.00 179.24 178.07 2p9a h ILE 11 N 0.75 1.23 -0.63 0.35 2.04 -0.74 0.05 117.51 120.55 2p9a h ILE 11 Ca 0.09 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2p9a h ILE 11 Cb 0.84 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2p9a h ILE 11 CO 0.07 0.26 0.13 -0.08 0.00 0.00 0.00 178.15 178.53 2p9a h GLU 12 N 1.06 1.00 -0.07 2.37 4.57 -1.18 0.07 114.58 122.40 2p9a h GLU 12 Ca 0.27 -0.23 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 2p9a h GLU 12 Cb 0.05 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2p9a h GLU 12 CO -0.04 0.90 -0.34 0.87 -1.18 0.00 0.00 179.01 179.22 2p9a h LYS 13 N 0.95 0.13 -0.01 1.92 1.57 -0.81 -1.99 116.57 118.33 2p9a h LYS 13 Ca 0.20 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 2p9a h LYS 13 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2p9a h LYS 13 CO 0.00 0.46 -0.66 0.52 -0.57 0.00 0.00 179.45 179.21 2p9a h MET 14 N 0.11 0.03 -0.48 3.15 2.86 -0.16 -1.90 114.93 118.55 2p9a h MET 14 Ca 0.01 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2p9a h MET 14 Cb 0.66 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2p9a h MET 14 CO 0.05 0.68 0.06 0.00 1.06 0.00 0.00 176.91 178.76 2p9a h ARG 15 N 0.02 0.80 0.01 1.72 3.08 -0.30 0.16 114.38 119.88 2p9a h ARG 15 Ca -0.01 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2p9a h ARG 15 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2p9a h ARG 15 CO 0.09 0.81 -0.01 0.28 -1.07 0.00 0.00 179.97 180.08 2p9a h VAL 16 N 0.67 1.17 -0.75 2.04 2.07 -1.31 -0.43 116.25 119.71 2p9a h VAL 16 Ca 0.14 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2p9a h VAL 16 Cb 0.41 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 2p9a h VAL 16 CO 0.01 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.24 2p9a h ALA 17 N 0.72 0.95 -0.49 1.67 0.00 -1.26 -1.42 119.26 119.42 2p9a h ALA 17 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2p9a h ALA 17 Cb 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2p9a h ALA 17 CO 0.00 0.37 -0.09 0.78 0.00 0.00 0.00 179.25 180.32 2p9a h GLY 18 N 1.01 0.97 0.97 0.00 0.00 -0.62 -1.96 103.07 103.44 2p9a h GLY 18 Ca 0.27 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2p9a h GLY 18 CO -0.06 0.68 0.22 -0.09 0.00 0.00 0.00 176.54 177.30 2p9a h ARG 19 N 0.81 0.70 -0.60 4.80 2.43 -0.61 -1.83 114.38 120.08 2p9a h ARG 19 Ca 0.13 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2p9a h ARG 19 Cb 0.61 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2p9a h ARG 19 CO 0.04 0.60 0.32 -0.07 -1.51 0.00 0.00 179.97 179.35 2p9a h LEU 20 N 0.64 0.75 -0.47 3.80 3.38 -1.06 -0.06 115.31 122.29 2p9a h LEU 20 Ca 0.17 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2p9a h LEU 20 Cb 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2p9a h LEU 20 CO -0.02 0.63 0.30 0.00 0.09 0.00 0.00 178.44 179.44 2p9a h ALA 21 N 1.15 0.59 -0.84 1.53 0.00 -1.12 -1.90 119.26 118.67 2p9a h ALA 21 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2p9a h ALA 21 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2p9a h ALA 21 CO -0.03 0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.62 2p9a h ALA 22 N 1.18 1.10 0.00 0.00 0.00 -1.00 -2.36 119.26 118.18 2p9a h ALA 22 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2p9a h ALA 22 Cb -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2p9a h ALA 22 CO -0.05 0.67 -0.09 0.93 0.00 0.00 0.00 179.25 180.70 2p9a h GLU 23 N 1.20 0.00 -0.37 0.00 5.08 -0.47 -1.64 114.58 118.38 2p9a h GLU 23 Ca 0.29 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 2p9a h GLU 23 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2p9a h GLU 23 CO -0.03 0.09 -0.12 0.28 -1.00 0.00 0.00 179.01 178.23 2p9a h VAL 24 N 0.00 1.28 -0.48 3.13 2.07 -0.81 -0.13 116.25 121.32 2p9a h VAL 24 Ca -0.00 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 2p9a h VAL 24 Cb 0.47 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2p9a h VAL 24 CO 0.01 0.40 -0.11 -0.07 0.02 0.00 0.00 177.57 177.83 2p9a h LEU 25 N 0.53 0.87 -0.66 2.57 3.38 -1.33 -1.03 115.31 119.64 2p9a h LEU 25 Ca 0.09 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2p9a h LEU 25 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2p9a h LEU 25 CO 0.04 0.99 -0.16 -0.33 0.09 0.00 0.00 178.44 179.08 2p9a h GLU 26 N 0.79 0.88 -0.32 1.13 5.08 -1.19 -2.87 114.58 118.08 2p9a h GLU 26 Ca 0.13 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2p9a h GLU 26 Cb 0.62 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2p9a h GLU 26 CO 0.04 0.97 -0.02 1.98 -1.00 0.00 0.00 179.01 180.99 2p9a h MET 27 N 0.78 0.57 0.00 2.33 4.05 -0.74 -3.23 114.93 118.69 2p9a h MET 27 Ca 0.12 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 2p9a h MET 27 Cb 0.68 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.43 2p9a h MET 27 CO 0.05 0.72 -0.10 0.97 0.23 0.00 0.00 176.91 178.77 2p9a h ILE 28 N 0.37 0.23 -0.94 1.77 6.09 -1.18 -3.37 117.51 120.48 2p9a h ILE 28 Ca 0.09 -0.94 0.16 0.00 -1.37 0.00 0.00 64.86 62.79 2p9a h ILE 28 Cb 0.47 1.77 -0.16 0.00 0.47 0.00 0.00 36.82 39.37 2p9a h ILE 28 CO 0.02 0.10 -0.35 -0.08 -3.07 0.00 0.00 178.15 174.77 2p9a h GLU 29 N 0.00 -0.02 -0.22 2.19 4.81 -1.53 0.51 114.58 120.32 2p9a h GLU 29 Ca -0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2p9a h GLU 29 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2p9a h GLU 29 CO 0.01 -0.01 0.16 -1.35 -0.73 0.00 0.00 179.01 177.09 2p9a h PRO 30 N -0.02 0.00 0.00 0.92 0.11 -1.82 -1.88 132.00 129.32 2p9a h PRO 30 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2p9a h PRO 30 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2p9a h PRO 30 CO -0.95 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 178.72 2p9a h TYR 31 N 0.00 0.00 -0.92 0.65 -1.99 -1.16 -3.40 116.97 110.14 2p9a h TYR 31 Ca 0.11 0.00 -0.69 0.00 2.00 0.00 0.00 58.73 60.15 2p9a h TYR 31 Cb 0.43 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.07 2p9a h TYR 31 CO 0.00 0.00 2.19 0.28 -0.00 0.00 0.00 178.16 180.63 2p9a n VAL 32 N -2.32 3.95 -4.26 -2.88 0.31 -0.71 -4.85 118.33 107.57 2p9a n VAL 32 Ca 0.05 -4.11 -0.14 0.00 -0.01 0.00 0.00 64.34 60.13 2p9a n VAL 32 Cb 0.43 -2.37 -0.10 0.00 -0.91 0.00 0.00 33.84 30.89 2p9a n VAL 32 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2p9a s LYS 33 N 3.95 1.18 0.28 5.55 -2.85 -1.26 -4.80 119.74 121.79 2p9a s LYS 33 Ca 0.53 -1.59 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2p9a s LYS 33 Cb 0.04 -0.28 -0.13 0.00 -2.06 0.00 0.00 37.83 35.40 2p9a s LYS 33 CO 0.07 -0.16 1.42 -2.30 0.10 0.00 0.00 175.35 174.47 2p9a n PRO 34 N -0.30 2.19 0.00 1.78 -0.02 -1.26 -2.75 135.00 134.64 2p9a n PRO 34 Ca -0.05 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2p9a n PRO 34 Cb 0.64 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2p9a n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p9a n GLY 35 N 1.79 3.28 3.82 -1.23 0.00 -0.13 -4.98 105.19 107.73 2p9a n GLY 35 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2p9a n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p9a s VAL 36 N -2.93 4.51 0.25 1.61 0.11 -1.11 -4.72 120.40 118.13 2p9a s VAL 36 Ca 0.00 1.30 -0.08 0.00 -2.93 0.00 0.00 61.98 60.26 2p9a s VAL 36 Cb 0.00 -3.75 -0.07 0.00 -1.53 0.00 0.00 36.38 31.03 2p9a s VAL 36 CO 0.00 -0.03 0.56 -0.94 -3.33 0.00 0.00 175.10 171.36 2p9a s SER 37 N -1.95 6.57 0.43 3.54 1.04 -1.26 -0.73 113.70 121.34 2p9a s SER 37 Ca 0.51 0.88 0.21 0.00 0.48 0.00 0.00 55.95 58.03 2p9a s SER 37 Cb -0.13 -2.21 0.99 0.00 0.10 0.00 0.00 66.02 64.76 2p9a s SER 37 CO 0.19 -0.12 1.89 0.71 0.98 0.00 0.00 173.24 176.88 2p9a h THR 38 N 1.79 0.84 -0.46 2.02 1.35 -1.06 -2.64 112.91 114.75 2p9a h THR 38 Ca -0.47 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 2p9a h THR 38 Cb 1.18 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.21 2p9a h THR 38 CO 0.68 0.26 0.14 1.23 -0.25 0.00 0.00 175.52 177.58 2p9a h GLY 39 N 1.38 0.76 1.32 5.82 0.00 -1.40 -1.71 103.07 109.25 2p9a h GLY 39 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2p9a h GLY 39 CO 0.03 0.43 -0.25 -2.09 0.00 0.00 0.00 176.54 174.66 2p9a h GLU 40 N 0.60 0.77 -0.83 4.80 4.81 -1.77 -2.41 114.58 120.55 2p9a h GLU 40 Ca 0.15 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2p9a h GLU 40 Cb 0.27 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2p9a h GLU 40 CO -0.00 0.94 0.55 -0.07 -0.73 0.00 0.00 179.01 179.69 2p9a h LEU 41 N 0.67 0.94 -0.75 1.64 3.38 -1.22 -0.37 115.31 119.60 2p9a h LEU 41 Ca 0.09 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2p9a h LEU 41 Cb 0.76 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2p9a h LEU 41 CO 0.06 0.67 0.28 -0.78 0.09 0.00 0.00 178.44 178.76 2p9a h ASP 42 N 1.11 1.05 -0.57 -0.43 3.58 -1.09 -1.08 116.42 119.00 2p9a h ASP 42 Ca 0.31 -0.18 -0.11 0.00 0.42 0.00 0.00 57.03 57.47 2p9a h ASP 42 Cb -0.10 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.66 2p9a h ASP 42 CO -0.08 0.95 -0.07 0.03 -2.88 0.00 0.00 179.24 177.19 2p9a h ARG 43 N 1.09 1.05 -0.55 0.28 3.08 -0.90 -0.51 114.38 117.92 2p9a h ARG 43 Ca 0.25 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2p9a h ARG 43 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2p9a h ARG 43 CO -0.02 1.07 0.23 0.82 -1.07 0.00 0.00 179.97 181.01 2p9a h ILE 44 N 0.94 1.22 -0.48 2.04 2.04 -0.82 -0.39 117.51 122.06 2p9a h ILE 44 Ca 0.15 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2p9a h ILE 44 Cb 0.64 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2p9a h ILE 44 CO 0.04 0.25 0.09 0.00 0.00 0.00 0.00 178.15 178.54 2p9a h ASN 46 N 0.67 0.80 -0.68 0.00 -0.73 -0.84 -0.86 115.58 113.93 2p9a h ASN 46 Ca 0.15 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.01 2p9a h ASN 46 Cb 0.37 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 2p9a h ASN 46 CO 0.01 0.89 0.35 0.44 -0.37 0.00 0.00 177.43 178.74 2p9a h ASP 47 N 0.69 0.89 -0.14 1.15 3.32 -1.03 -0.67 116.42 120.64 2p9a h ASP 47 Ca 0.14 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2p9a h ASP 47 Cb 0.45 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2p9a h ASP 47 CO 0.02 0.75 -0.01 0.22 -1.72 0.00 0.00 179.24 178.50 2p9a h TYR 48 N 0.99 0.27 -0.20 4.55 3.20 -1.13 -0.11 116.97 124.54 2p9a h TYR 48 Ca 0.24 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 2p9a h TYR 48 Cb 0.09 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2p9a h TYR 48 CO 0.01 0.50 0.12 0.82 -1.64 0.00 0.00 178.16 177.97 2p9a h ILE 49 N -0.03 1.07 0.13 1.81 2.04 -0.87 -0.32 117.51 121.34 2p9a h ILE 49 Ca 0.04 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2p9a h ILE 49 Cb 0.40 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2p9a h ILE 49 CO 0.01 0.07 -0.06 0.58 0.00 0.00 0.00 178.15 178.75 2p9a h VAL 50 N 0.25 0.92 0.00 1.67 2.07 -1.15 0.13 116.25 120.13 2p9a h VAL 50 Ca 0.07 -1.25 -0.21 0.00 0.82 0.00 0.00 66.70 66.13 2p9a h VAL 50 Cb 0.01 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2p9a h VAL 50 CO -0.01 0.25 -1.09 0.78 0.02 0.00 0.00 177.57 177.52 2p9a h ASN 51 N -0.87 0.00 0.00 0.57 2.35 -1.11 -3.09 115.58 113.44 2p9a h ASN 51 Ca -0.02 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.28 2p9a h ASN 51 Cb 0.54 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.84 2p9a h ASN 51 CO 0.03 0.93 -2.49 -0.62 -1.65 0.00 0.00 177.43 173.63 2p9a n GLU 52 N -3.27 0.59 0.08 0.81 -0.58 -0.27 -4.55 120.64 113.46 2p9a n GLU 52 Ca -0.03 0.27 0.13 0.00 -0.42 0.00 0.00 57.16 57.11 2p9a n GLU 52 Cb 0.94 -1.50 0.33 0.00 -0.57 0.00 0.00 31.44 30.64 2p9a n GLU 52 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2p9a n GLN 53 N -4.21 0.25 -3.63 3.49 6.02 -0.40 -4.93 117.38 113.97 2p9a n GLN 53 Ca -0.53 0.16 -0.26 0.00 -0.01 0.00 0.00 57.00 56.36 2p9a n GLN 53 Cb 0.88 -1.75 0.06 0.00 1.02 0.00 0.00 30.24 30.46 2p9a n GLN 53 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2p9a n HIS 54 N -2.16 -2.63 -3.86 1.08 8.25 -0.84 -4.98 115.22 110.08 2p9a n HIS 54 Ca 0.05 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 2p9a n HIS 54 Cb 0.43 -4.66 0.00 0.00 1.12 0.00 0.00 29.99 26.88 2p9a n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2p9a n ALA 55 N -4.77 0.00 -2.96 -1.41 0.00 -0.03 -4.95 120.51 106.39 2p9a n ALA 55 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2p9a n ALA 55 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 2p9a n ALA 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2p9a s VAL 56 N -0.89 0.11 0.01 0.00 -7.23 -1.06 -3.79 120.40 107.55 2p9a s VAL 56 Ca 0.00 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 2p9a s VAL 56 Cb 0.00 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2p9a s VAL 56 CO 0.00 -0.48 1.13 -0.55 -0.31 0.00 0.00 175.10 174.89 2p9a s SER 57 N -1.60 7.16 0.02 4.85 0.15 -1.26 -0.84 113.70 122.19 2p9a s SER 57 Ca -0.13 1.85 0.28 0.00 0.70 0.00 0.00 55.95 58.65 2p9a s SER 57 Cb -0.07 -2.57 1.05 0.00 -1.71 0.00 0.00 66.02 62.72 2p9a s SER 57 CO -0.01 -0.43 1.81 0.00 1.20 0.00 0.00 173.24 175.81 2p9a n ALA 58 N 4.23 2.54 0.08 5.45 0.00 0.01 -3.87 120.51 128.97 2p9a n ALA 58 Ca 0.09 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 2p9a n ALA 58 Cb 0.48 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 2p9a n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p9a s LEU 60 N -7.03 3.43 0.00 0.00 2.96 -1.14 -1.63 118.68 115.28 2p9a s LEU 60 Ca -0.06 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2p9a s LEU 60 Cb 0.07 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2p9a s LEU 60 CO 0.87 -2.20 0.00 0.61 -1.32 0.00 0.00 176.35 174.31 2p9a n GLY 61 N 5.74 2.81 3.62 7.98 0.00 0.15 -4.94 105.19 120.54 2p9a n GLY 61 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 2p9a n GLY 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p9a s TYR 62 N -2.69 1.30 -1.76 1.61 5.04 -0.64 -0.69 117.35 119.53 2p9a s TYR 62 Ca 0.00 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2p9a s TYR 62 Cb 0.00 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.27 2p9a s TYR 62 CO 0.00 -4.40 0.00 0.72 -1.34 0.00 0.00 175.55 170.53 2p9a n HIS 63 N 10.10 -0.24 -0.36 4.97 8.25 -1.26 -0.87 115.22 135.81 2p9a n HIS 63 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2p9a n HIS 63 Cb 0.44 -3.00 0.00 0.00 1.12 0.00 0.00 29.99 28.55 2p9a n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p9a n GLY 64 N -0.33 0.80 3.69 -1.41 0.00 0.14 -5.03 105.19 103.05 2p9a n GLY 64 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 2p9a n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2p9a n TYR 65 N -2.32 2.55 0.29 1.61 9.36 -0.05 -4.70 117.16 123.90 2p9a n TYR 65 Ca 0.00 -0.05 0.14 0.00 3.32 0.00 0.00 57.90 61.31 2p9a n TYR 65 Cb 0.00 -2.69 0.42 0.00 -0.63 0.00 0.00 39.34 36.43 2p9a n TYR 65 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2p9a h PRO 66 N 8.07 0.00 -5.35 2.98 0.13 -1.91 0.42 132.00 136.34 2p9a h PRO 66 Ca -0.46 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 2p9a h PRO 66 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2p9a h PRO 66 CO 0.94 0.00 -0.46 0.15 -0.23 0.00 0.00 178.00 178.40 2p9a s LYS 67 N -3.39 2.22 0.01 0.86 -0.14 -1.26 -4.90 119.74 113.14 2p9a s LYS 67 Ca 0.05 -2.33 -0.03 0.00 -1.36 0.00 0.00 55.97 52.30 2p9a s LYS 67 Cb 0.07 -1.66 -0.28 0.00 -1.68 0.00 0.00 37.83 34.29 2p9a s LYS 67 CO 0.60 -0.44 0.89 0.77 -0.76 0.00 0.00 175.35 176.41 2p9a h SER 68 N 1.19 0.39 -4.51 2.83 0.02 -1.92 -3.01 113.55 108.54 2p9a h SER 68 Ca -0.42 -0.52 -0.31 0.00 -0.84 0.00 0.00 61.79 59.70 2p9a h SER 68 Cb 1.32 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 2p9a h SER 68 CO 0.70 1.43 -0.65 0.68 -1.14 0.00 0.00 176.83 177.85 2p9a s VAL 69 N -2.62 0.64 -0.14 2.27 -7.23 -1.26 -4.47 120.40 107.59 2p9a s VAL 69 Ca -0.08 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 2p9a s VAL 69 Cb 0.07 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2p9a s VAL 69 CO 0.86 -0.31 -0.00 0.00 -0.31 0.00 0.00 175.10 175.33 2p9a s ILE 71 N -0.10 1.20 -0.20 0.00 1.01 -0.49 -1.07 121.20 121.56 2p9a s ILE 71 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2p9a s ILE 71 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2p9a s ILE 71 CO 0.02 -0.11 -0.07 -0.44 0.00 0.00 0.00 174.94 174.34 2p9a s SER 72 N 1.55 4.19 -0.14 3.58 0.01 -0.22 -3.90 113.70 118.77 2p9a s SER 72 Ca -0.04 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 56.79 2p9a s SER 72 Cb -0.18 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2p9a s SER 72 CO -0.07 0.02 0.03 -0.63 0.41 0.00 0.00 173.24 173.01 2p9a s ILE 73 N 1.22 4.56 0.00 1.44 1.01 -1.26 -0.68 121.20 127.49 2p9a s ILE 73 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2p9a s ILE 73 Cb -0.14 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2p9a s ILE 73 CO -0.02 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.04 2p9a n ASN 74 N 2.92 0.00 0.00 3.58 3.02 -0.23 -0.88 115.26 123.67 2p9a n ASN 74 Ca -0.18 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.48 2p9a n ASN 74 Cb 0.53 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 40.19 2p9a n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2p9a n GLU 75 N 0.00 0.12 -2.44 3.52 0.00 -1.26 -1.26 120.64 119.31 2p9a n GLU 75 Ca 0.00 0.11 -0.43 0.00 0.00 0.00 0.00 57.16 56.85 2p9a n GLU 75 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 2p9a n GLU 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2p9a s VAL 76 N -2.84 4.28 0.03 3.84 1.01 -0.06 -1.40 120.40 125.27 2p9a s VAL 76 Ca 0.14 1.57 -0.17 0.00 0.00 0.00 0.00 61.98 63.52 2p9a s VAL 76 Cb 0.14 -4.01 -0.27 0.00 0.00 0.00 0.00 36.38 32.24 2p9a s VAL 76 CO 0.37 -0.11 1.09 0.58 0.00 0.00 0.00 175.10 177.03 2p9a h VAL 77 N 5.38 1.35 -2.02 2.92 2.07 -0.41 -3.39 116.25 122.15 2p9a h VAL 77 Ca -0.28 -2.35 0.23 0.00 0.82 0.00 0.00 66.70 65.13 2p9a h VAL 77 Cb 1.12 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 33.49 2p9a h VAL 77 CO 0.95 0.70 0.62 0.00 0.02 0.00 0.00 177.57 179.86 2p9a n HIS 79 N -0.50 -0.65 -1.74 0.00 8.25 -1.26 -2.62 115.22 116.70 2p9a n HIS 79 Ca -0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 2p9a n HIS 79 Cb 0.61 -3.68 -0.03 0.00 1.12 0.00 0.00 29.99 28.01 2p9a n HIS 79 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2p9a s GLY 80 N -2.30 1.25 -0.29 -1.41 0.00 -1.25 -3.90 107.32 99.41 2p9a s GLY 80 Ca 0.00 1.55 -0.22 0.00 0.00 0.00 0.00 44.72 46.05 2p9a s GLY 80 CO 0.00 2.92 0.73 -0.42 0.00 0.00 0.00 173.10 176.33 2p9a s ILE 81 N 1.47 4.86 0.21 0.90 1.01 -1.26 -1.40 121.20 126.99 2p9a s ILE 81 Ca 0.76 1.13 -0.32 0.00 0.00 0.00 0.00 60.65 62.22 2p9a s ILE 81 Cb -0.49 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 37.77 2p9a s ILE 81 CO 0.33 -0.17 1.39 -2.65 0.00 0.00 0.00 174.94 173.84 2p9a n PRO 82 N 6.03 1.88 -3.84 2.79 -0.02 -1.26 -4.93 135.00 135.66 2p9a n PRO 82 Ca 0.02 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2p9a n PRO 82 Cb 0.48 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 2p9a n PRO 82 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2p9a s ASP 83 N 0.35 -0.11 0.24 2.55 2.15 -1.26 -4.62 116.67 115.96 2p9a s ASP 83 Ca 0.71 0.21 0.23 0.00 0.43 0.00 0.00 52.55 54.13 2p9a s ASP 83 Cb -0.70 0.22 0.95 0.00 -0.30 0.00 0.00 42.92 43.09 2p9a s ASP 83 CO 0.48 -0.04 1.69 0.47 -0.17 0.00 0.00 175.17 177.60 2p9a n ASP 84 N 3.00 0.61 -0.68 -0.34 9.92 -1.26 -1.18 116.55 126.62 2p9a n ASP 84 Ca -0.12 0.65 0.12 0.00 -0.53 0.00 0.00 54.79 54.91 2p9a n ASP 84 Cb 0.59 -0.78 0.22 0.00 -0.64 0.00 0.00 41.12 40.51 2p9a n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2p9a n ALA 85 N -1.75 2.76 -3.06 2.24 0.00 -1.26 -4.80 120.51 114.64 2p9a n ALA 85 Ca 0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 2p9a n ALA 85 Cb 0.22 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 2p9a n ALA 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2p9a s LYS 86 N -2.14 2.80 -0.07 0.00 2.47 -0.99 -5.05 119.74 116.76 2p9a s LYS 86 Ca 0.28 -1.39 -0.08 0.00 -1.56 0.00 0.00 55.97 53.23 2p9a s LYS 86 Cb 0.20 -3.95 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 2p9a s LYS 86 CO 0.38 -0.98 0.21 -0.51 0.16 0.00 0.00 175.35 174.61 2p9a s LEU 87 N 1.54 4.40 0.41 5.43 1.43 -1.26 -1.06 118.68 129.56 2p9a s LEU 87 Ca 0.03 0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 53.45 2p9a s LEU 87 Cb -0.23 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2p9a s LEU 87 CO 0.04 0.35 1.01 -0.76 0.23 0.00 0.00 176.35 177.23 2p9a s LEU 88 N -1.27 4.06 0.14 1.79 1.43 0.09 -4.90 118.68 120.02 2p9a s LEU 88 Ca 0.20 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 2p9a s LEU 88 Cb -0.13 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2p9a s LEU 88 CO 0.09 -0.48 -0.06 -1.59 0.23 0.00 0.00 176.35 174.54 2p9a s LYS 89 N -2.73 0.99 0.04 1.70 -2.85 -1.26 -0.96 119.74 114.66 2p9a s LYS 89 Ca 0.60 -1.43 -0.36 0.00 -1.00 0.00 0.00 55.97 53.77 2p9a s LYS 89 Cb -0.18 -0.37 -0.16 0.00 -2.06 0.00 0.00 37.83 35.06 2p9a s LYS 89 CO 0.22 -0.01 1.50 -3.47 0.10 0.00 0.00 175.35 173.69 2p9a n ASP 90 N -0.15 2.24 0.00 0.03 2.03 -1.26 -1.75 116.55 117.68 2p9a n ASP 90 Ca -0.10 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.30 2p9a n ASP 90 Cb 0.61 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 2p9a n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p9a n GLY 91 N 3.12 2.44 3.75 0.27 0.00 0.15 -4.91 105.19 110.01 2p9a n GLY 91 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2p9a n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p9a s ASP 92 N -1.44 5.18 -0.10 1.61 1.01 -0.72 -4.57 116.67 117.65 2p9a s ASP 92 Ca 0.00 2.52 0.02 0.00 0.71 0.00 0.00 52.55 55.79 2p9a s ASP 92 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2p9a s ASP 92 CO 0.00 -1.61 -0.15 0.27 0.21 0.00 0.00 175.17 173.90 2p9a s ILE 93 N -1.48 2.97 -0.03 0.77 -4.36 -1.26 -0.48 121.20 117.33 2p9a s ILE 93 Ca 0.76 -0.72 0.01 0.00 -0.26 0.00 0.00 60.65 60.44 2p9a s ILE 93 Cb -0.34 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.18 2p9a s ILE 93 CO 0.38 0.55 -0.03 -0.69 0.24 0.00 0.00 174.94 175.39 2p9a s VAL 94 N -0.04 0.39 -0.14 8.37 1.01 0.32 -1.07 120.40 129.24 2p9a s VAL 94 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2p9a s VAL 94 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2p9a s VAL 94 CO 0.04 0.17 0.08 0.21 0.00 0.00 0.00 175.10 175.60 2p9a s ASN 95 N 0.68 5.86 -0.19 3.32 3.84 0.15 -0.05 114.94 128.55 2p9a s ASN 95 Ca -0.08 0.25 0.01 0.00 0.21 0.00 0.00 52.86 53.25 2p9a s ASN 95 Cb -0.11 -1.89 0.03 0.00 -0.55 0.00 0.00 41.25 38.73 2p9a s ASN 95 CO -0.00 0.31 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.84 2p9a s ILE 96 N -0.45 1.88 -0.21 -5.21 1.01 -1.04 -1.05 121.20 116.12 2p9a s ILE 96 Ca 0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2p9a s ILE 96 Cb -0.12 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2p9a s ILE 96 CO 0.02 0.35 0.02 -0.62 0.00 0.00 0.00 174.94 174.71 2p9a s ASP 97 N 1.33 4.92 0.02 3.58 -1.08 -0.23 -3.00 116.67 122.20 2p9a s ASP 97 Ca 0.01 -0.20 0.08 0.00 -0.52 0.00 0.00 52.55 51.93 2p9a s ASP 97 Cb -0.15 -1.85 -0.03 0.00 -1.46 0.00 0.00 42.92 39.43 2p9a s ASP 97 CO -0.10 0.04 -0.25 -0.69 0.52 0.00 0.00 175.17 174.69 2p9a s VAL 98 N 1.16 2.24 -0.11 1.11 1.01 0.33 -2.01 120.40 124.13 2p9a s VAL 98 Ca 0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 2p9a s VAL 98 Cb -0.14 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.44 2p9a s VAL 98 CO 0.02 0.45 0.19 -0.89 0.00 0.00 0.00 175.10 174.87 2p9a s THR 99 N -0.75 -0.31 0.18 3.92 2.01 -1.26 -1.13 115.64 118.31 2p9a s THR 99 Ca 0.11 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.52 2p9a s THR 99 Cb -0.10 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2p9a s THR 99 CO 0.01 0.11 -0.19 0.68 -0.69 0.00 0.00 174.62 174.55 2p9a s VAL 100 N 2.33 2.66 -0.12 3.82 -7.23 -0.52 -0.80 120.40 120.54 2p9a s VAL 100 Ca 0.03 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2p9a s VAL 100 Cb -0.12 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2p9a s VAL 100 CO -0.07 -0.10 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.77 2p9a s ILE 101 N -1.65 2.22 -0.03 -0.62 1.01 -0.02 -1.24 121.20 120.87 2p9a s ILE 101 Ca 0.22 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2p9a s ILE 101 Cb -0.08 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.54 2p9a s ILE 101 CO 0.12 0.55 0.05 -0.75 0.00 0.00 0.00 174.94 174.90 2p9a s LYS 102 N 0.51 -0.06 -1.44 2.79 2.47 -0.30 -2.55 119.74 121.15 2p9a s LYS 102 Ca -0.14 0.30 -0.07 0.00 -1.56 0.00 0.00 55.97 54.49 2p9a s LYS 102 Cb -0.17 -0.39 0.04 0.00 -1.46 0.00 0.00 37.83 35.85 2p9a s LYS 102 CO 0.05 -0.26 0.63 -3.47 0.16 0.00 0.00 175.35 172.47 2p9a n ASP 103 N 4.81 -5.16 0.00 1.43 2.03 -1.26 -1.79 116.55 116.61 2p9a n ASP 103 Ca -0.14 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2p9a n ASP 103 Cb 0.50 -4.18 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 2p9a n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p9a n GLY 104 N -1.44 1.80 3.54 0.27 0.00 -1.26 -5.04 105.19 103.06 2p9a n GLY 104 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2p9a n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p9a s PHE 105 N -2.76 2.68 0.01 1.61 0.40 -0.74 -4.17 117.98 115.00 2p9a s PHE 105 Ca 0.00 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 2p9a s PHE 105 Cb 0.00 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2p9a s PHE 105 CO 0.00 0.40 0.34 -1.01 0.70 0.00 0.00 175.22 175.65 2p9a s HIS 106 N -1.16 3.65 -0.14 0.36 3.76 -0.38 -1.16 115.29 120.22 2p9a s HIS 106 Ca 0.20 0.80 0.01 0.00 -0.15 0.00 0.00 55.06 55.92 2p9a s HIS 106 Cb -0.11 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.45 2p9a s HIS 106 CO 0.12 0.62 -0.15 0.20 -0.85 0.00 0.00 174.74 174.67 2p9a s GLY 107 N -1.36 1.14 -0.11 -2.22 0.00 -0.37 -4.62 107.32 99.78 2p9a s GLY 107 Ca 0.26 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.08 2p9a s GLY 107 CO 0.14 0.43 -0.12 -0.35 0.00 0.00 0.00 173.10 173.19 2p9a s ASP 108 N 1.34 2.34 -0.01 1.64 -1.08 -1.26 -1.43 116.67 118.21 2p9a s ASP 108 Ca 0.02 -0.39 -0.28 0.00 -0.52 0.00 0.00 52.55 51.38 2p9a s ASP 108 Cb -0.13 -1.01 0.09 0.00 -1.46 0.00 0.00 42.92 40.41 2p9a s ASP 108 CO -0.09 -0.04 0.75 0.28 0.52 0.00 0.00 175.17 176.60 2p9a s THR 109 N 1.26 0.00 0.12 1.71 -1.32 -0.28 -3.27 115.64 113.86 2p9a s THR 109 Ca -0.02 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 2p9a s THR 109 Cb -0.14 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2p9a s THR 109 CO -0.05 0.00 0.32 -0.94 -2.21 0.00 0.00 174.62 171.74 2p9a s SER 110 N -1.78 -0.08 0.19 8.08 1.04 -1.09 -0.52 113.70 119.55 2p9a s SER 110 Ca -0.04 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.72 2p9a s SER 110 Cb -0.00 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2p9a s SER 110 CO -0.00 -0.83 0.45 -1.59 0.98 0.00 0.00 173.24 172.24 2p9a s LYS 111 N -3.85 1.33 0.01 4.02 -2.85 -1.16 -1.70 119.74 115.53 2p9a s LYS 111 Ca 0.06 -0.99 -0.06 0.00 -1.00 0.00 0.00 55.97 53.99 2p9a s LYS 111 Cb 0.03 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 2p9a s LYS 111 CO -0.09 -0.54 0.26 -1.64 0.10 0.00 0.00 175.35 173.43 2p9a s MET 112 N -3.91 3.56 -0.04 1.78 -1.94 -1.26 -2.49 119.30 115.00 2p9a s MET 112 Ca 0.12 -0.11 0.05 0.00 -1.71 0.00 0.00 55.69 54.04 2p9a s MET 112 Cb 0.00 -3.08 -0.00 0.00 2.01 0.00 0.00 34.83 33.76 2p9a s MET 112 CO -0.01 0.65 -0.18 -0.06 -0.01 0.00 0.00 175.02 175.40 2p9a s PHE 113 N -1.31 1.81 -0.19 -0.03 0.40 0.93 -4.95 117.98 114.65 2p9a s PHE 113 Ca 0.28 -0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 56.02 2p9a s PHE 113 Cb -0.13 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 2p9a s PHE 113 CO 0.17 -0.17 0.06 0.42 0.70 0.00 0.00 175.22 176.39 2p9a s ILE 114 N -0.01 4.67 -0.12 0.64 1.01 -1.26 -0.52 121.20 125.61 2p9a s ILE 114 Ca -0.03 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 2p9a s ILE 114 Cb -0.12 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2p9a s ILE 114 CO 0.02 0.44 0.53 -0.69 0.00 0.00 0.00 174.94 175.24 2p9a s VAL 115 N 0.55 5.15 0.00 2.92 1.01 0.37 -4.94 120.40 125.46 2p9a s VAL 115 Ca 0.03 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2p9a s VAL 115 Cb -0.13 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2p9a s VAL 115 CO 0.01 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2p9a n GLY 116 N 3.30 2.91 3.65 4.51 0.00 -1.26 0.31 105.19 118.61 2p9a n GLY 116 Ca -0.06 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2p9a n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p9a s LYS 117 N 0.00 4.07 0.46 1.61 2.20 -1.26 -4.74 119.74 122.08 2p9a s LYS 117 Ca 0.00 1.77 -0.22 0.00 -0.36 0.00 0.00 55.97 57.16 2p9a s LYS 117 Cb 0.00 -3.91 -0.08 0.00 -1.51 0.00 0.00 37.83 32.33 2p9a s LYS 117 CO 0.00 -0.95 1.08 -1.25 -0.36 0.00 0.00 175.35 173.87 2p9a s PRO 118 N 4.04 3.86 0.08 4.03 0.04 -1.26 -3.04 135.00 142.74 2p9a s PRO 118 Ca 0.65 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 63.11 2p9a s PRO 118 Cb -0.25 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 2p9a s PRO 118 CO 0.24 -0.41 0.40 0.95 0.04 0.00 0.00 177.00 178.22 2p9a s THR 119 N -1.77 5.09 0.24 1.26 -4.23 -1.26 -4.98 115.64 110.00 2p9a s THR 119 Ca 0.64 0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 2p9a s THR 119 Cb -0.21 -3.65 0.21 0.00 1.34 0.00 0.00 72.50 70.19 2p9a s THR 119 CO 0.26 0.30 1.82 0.40 -0.54 0.00 0.00 174.62 176.86 2p9a h ILE 120 N 2.90 0.93 -0.29 2.99 5.03 -1.99 -0.62 117.51 126.47 2p9a h ILE 120 Ca -0.49 -0.28 -0.14 0.00 -0.12 0.00 0.00 64.86 63.82 2p9a h ILE 120 Cb 1.19 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 2p9a h ILE 120 CO 0.66 0.15 -0.41 -0.03 -0.68 0.00 0.00 178.15 177.84 2p9a h MET 121 N 0.82 0.69 -0.39 2.37 4.05 -1.99 -0.17 114.93 120.32 2p9a h MET 121 Ca 0.39 -0.36 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2p9a h MET 121 Cb 0.32 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2p9a h MET 121 CO -0.23 0.98 0.14 0.78 0.23 0.00 0.00 176.91 178.81 2p9a h GLY 122 N 0.96 0.63 1.15 1.39 0.00 -1.81 -0.29 103.07 105.10 2p9a h GLY 122 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 2p9a h GLY 122 CO 0.09 0.33 0.33 -2.09 0.00 0.00 0.00 176.54 175.20 2p9a h GLU 123 N 0.48 1.09 -0.12 4.80 4.81 -0.97 -1.85 114.58 122.82 2p9a h GLU 123 Ca 0.13 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2p9a h GLU 123 Cb 0.21 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2p9a h GLU 123 CO -0.01 0.87 0.02 -0.09 -0.73 0.00 0.00 179.01 179.06 2p9a h ARG 124 N 1.08 0.20 -0.51 1.92 2.43 -0.65 -0.76 114.38 118.09 2p9a h ARG 124 Ca 0.26 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2p9a h ARG 124 Cb 0.16 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2p9a h ARG 124 CO -0.03 0.40 0.29 1.25 -1.51 0.00 0.00 179.97 180.37 2p9a h LEU 125 N -0.03 0.45 -0.48 3.80 5.85 -0.88 -0.25 115.31 123.76 2p9a h LEU 125 Ca 0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2p9a h LEU 125 Cb 0.30 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2p9a h LEU 125 CO 0.00 0.32 0.13 0.00 -0.34 0.00 0.00 178.44 178.55 2p9a h ARG 127 N 0.65 0.13 -0.70 0.00 2.43 -0.73 -1.14 114.38 115.03 2p9a h ARG 127 Ca 0.15 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2p9a h ARG 127 Cb 0.30 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2p9a h ARG 127 CO -0.00 0.10 0.21 0.82 -1.51 0.00 0.00 179.97 179.59 2p9a h ILE 128 N 0.12 1.25 -0.53 1.20 1.08 -0.99 -0.23 117.51 119.41 2p9a h ILE 128 Ca 0.04 -0.90 -0.05 0.00 -0.39 0.00 0.00 64.86 63.56 2p9a h ILE 128 Cb 0.00 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 2p9a h ILE 128 CO -0.01 0.35 0.15 0.74 -0.69 0.00 0.00 178.15 178.69 2p9a h THR 129 N 1.04 1.24 -0.56 -0.27 2.02 -0.94 0.78 112.91 116.23 2p9a h THR 129 Ca 0.23 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 2p9a h THR 129 Cb 0.31 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2p9a h THR 129 CO -0.01 0.30 -0.06 -0.61 0.37 0.00 0.00 175.52 175.52 2p9a h GLN 130 N 0.74 1.01 -0.06 6.66 4.15 -0.96 -2.41 115.11 124.24 2p9a h GLN 130 Ca 0.17 -0.34 -0.06 0.00 0.77 0.00 0.00 58.65 59.18 2p9a h GLN 130 Cb 0.30 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2p9a h GLN 130 CO -0.00 1.03 -0.26 0.93 -1.93 0.00 0.00 178.83 178.60 2p9a h GLU 131 N 0.91 0.10 -0.16 1.69 4.39 -0.62 0.52 114.58 121.41 2p9a h GLU 131 Ca 0.15 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 2p9a h GLU 131 Cb 0.61 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2p9a h GLU 131 CO 0.04 0.36 -0.38 0.66 -1.16 0.00 0.00 179.01 178.53 2p9a h SER 132 N 0.09 0.36 -0.17 1.42 4.64 -0.43 0.34 113.55 119.80 2p9a h SER 132 Ca 0.01 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 2p9a h SER 132 Cb 0.51 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2p9a h SER 132 CO 0.04 0.71 -0.42 0.25 -0.87 0.00 0.00 176.83 176.53 2p9a h LEU 133 N 0.29 0.66 -0.49 5.97 5.85 -0.89 -2.84 115.31 123.86 2p9a h LEU 133 Ca 0.03 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2p9a h LEU 133 Cb 0.80 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2p9a h LEU 133 CO 0.06 1.11 0.31 1.88 -0.34 0.00 0.00 178.44 181.46 2p9a h TYR 134 N 0.23 0.64 -0.70 1.25 -1.99 -0.60 -0.66 116.97 115.14 2p9a h TYR 134 Ca -0.01 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2p9a h TYR 134 Cb 1.03 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.52 2p9a h TYR 134 CO 0.10 0.43 0.28 1.37 -0.00 0.00 0.00 178.16 180.33 2p9a h LEU 135 N 0.66 0.94 -0.47 3.88 8.10 -0.98 -1.34 115.31 126.10 2p9a h LEU 135 Ca 0.18 -0.13 -0.05 0.00 0.11 0.00 0.00 57.88 57.98 2p9a h LEU 135 Cb -0.03 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 39.92 2p9a h LEU 135 CO -0.04 0.84 0.10 0.00 -4.11 0.00 0.00 178.44 175.23 2p9a h ALA 136 N 1.30 0.63 -0.73 0.17 0.00 -1.21 -2.70 119.26 116.71 2p9a h ALA 136 Ca 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2p9a h ALA 136 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2p9a h ALA 136 CO -0.02 0.33 0.45 -0.07 0.00 0.00 0.00 179.25 179.94 2p9a h LEU 137 N 0.64 0.86 -0.44 0.00 3.38 -0.60 -1.17 115.31 117.99 2p9a h LEU 137 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2p9a h LEU 137 Cb 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2p9a h LEU 137 CO 0.00 0.66 0.00 0.54 0.09 0.00 0.00 178.44 179.73 2p9a n ARG 138 N -4.40 0.13 0.05 1.13 1.74 -0.55 -2.49 116.66 112.27 2p9a n ARG 138 Ca 0.08 0.35 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 2p9a n ARG 138 Cb 0.06 -1.74 0.01 0.00 -1.02 0.00 0.00 32.46 29.77 2p9a n ARG 138 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2p9a n MET 139 N -1.99 0.45 -2.01 5.56 2.81 -0.46 -4.94 117.12 116.54 2p9a n MET 139 Ca 0.03 0.03 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 2p9a n MET 139 Cb 0.22 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 2p9a n MET 139 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2p9a s VAL 140 N -3.30 3.41 -0.20 2.03 1.01 -1.04 -4.94 120.40 117.38 2p9a s VAL 140 Ca 0.01 0.68 -0.33 0.00 0.00 0.00 0.00 61.98 62.34 2p9a s VAL 140 Cb 0.12 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 33.21 2p9a s VAL 140 CO 0.80 -0.03 1.20 -1.59 0.00 0.00 0.00 175.10 175.48 2p9a s LYS 141 N 3.29 0.32 0.44 2.72 -2.85 -1.26 -3.76 119.74 118.64 2p9a s LYS 141 Ca 0.72 -0.07 -0.24 0.00 -1.00 0.00 0.00 55.97 55.38 2p9a s LYS 141 Cb -0.35 0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.47 2p9a s LYS 141 CO 0.30 -0.13 1.17 -2.30 0.10 0.00 0.00 175.35 174.49 2p9a n PRO 142 N 0.11 1.64 0.00 1.78 -0.02 -1.26 -2.81 135.00 134.45 2p9a n PRO 142 Ca -0.01 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2p9a n PRO 142 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2p9a n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p9a n GLY 143 N 0.97 3.19 3.82 -1.23 0.00 -0.53 -4.96 105.19 106.45 2p9a n GLY 143 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2p9a n GLY 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2p9a s ILE 144 N -2.40 4.49 -0.02 -0.61 2.07 -1.12 -4.75 121.20 118.86 2p9a s ILE 144 Ca 0.00 1.32 -0.13 0.00 -1.41 0.00 0.00 60.65 60.43 2p9a s ILE 144 Cb 0.00 -3.71 -0.05 0.00 0.13 0.00 0.00 42.46 38.82 2p9a s ILE 144 CO 0.00 -0.11 0.34 0.21 -1.91 0.00 0.00 174.94 173.47 2p9a s ASN 145 N -2.03 6.70 0.55 4.50 3.84 -1.26 -1.07 114.94 126.17 2p9a s ASN 145 Ca 0.54 0.84 0.23 0.00 0.21 0.00 0.00 52.86 54.68 2p9a s ASN 145 Cb -0.12 -2.20 1.49 0.00 -0.55 0.00 0.00 41.25 39.87 2p9a s ASN 145 CO 0.18 0.34 2.13 -0.07 -2.79 0.00 0.00 177.10 176.89 2p9a h LEU 146 N 4.71 0.00 -1.21 3.21 3.38 -1.22 -1.17 115.31 123.01 2p9a h LEU 146 Ca -0.52 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.46 2p9a h LEU 146 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2p9a h LEU 146 CO 0.61 0.00 0.54 -0.09 0.09 0.00 0.00 178.44 179.59 2p9a h ARG 147 N 0.00 1.05 -0.47 1.13 2.43 -1.82 0.00 114.38 116.70 2p9a h ARG 147 Ca 0.06 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2p9a h ARG 147 Cb 0.29 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2p9a h ARG 147 CO -0.00 0.69 0.15 0.93 -1.51 0.00 0.00 179.97 180.23 2p9a h GLU 148 N 1.08 0.73 -0.35 0.20 5.08 -1.60 -0.56 114.58 119.16 2p9a h GLU 148 Ca 0.30 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2p9a h GLU 148 Cb -0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2p9a h GLU 148 CO -0.07 0.69 0.08 0.82 -1.00 0.00 0.00 179.01 179.52 2p9a h ILE 149 N 0.62 1.23 -0.77 3.13 2.04 -1.36 -1.19 117.51 121.21 2p9a h ILE 149 Ca 0.15 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2p9a h ILE 149 Cb 0.26 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2p9a h ILE 149 CO -0.01 0.26 0.48 1.23 0.00 0.00 0.00 178.15 180.11 2p9a h GLY 150 N 0.41 1.11 1.04 5.37 0.00 -0.87 -1.80 103.07 108.33 2p9a h GLY 150 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2p9a h GLY 150 CO 0.00 0.43 0.36 0.00 0.00 0.00 0.00 176.54 177.34 2p9a h ALA 151 N 1.26 1.04 -0.59 3.60 0.00 -0.89 -2.42 119.26 121.26 2p9a h ALA 151 Ca 0.28 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2p9a h ALA 151 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2p9a h ALA 151 CO -0.05 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.84 2p9a h ALA 152 N 1.19 0.92 -0.13 0.00 0.00 -0.75 -1.23 119.26 119.26 2p9a h ALA 152 Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2p9a h ALA 152 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2p9a h ALA 152 CO -0.03 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.74 2p9a h ILE 153 N 0.93 1.17 -0.07 0.00 2.04 -1.14 -2.36 117.51 118.07 2p9a h ILE 153 Ca 0.17 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2p9a h ILE 153 Cb 0.52 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2p9a h ILE 153 CO 0.03 0.15 0.04 -0.61 0.00 0.00 0.00 178.15 177.76 2p9a h GLN 154 N 0.04 0.09 -0.55 2.37 4.15 -1.32 -0.99 115.11 118.90 2p9a h GLN 154 Ca 0.04 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.54 2p9a h GLN 154 Cb 0.20 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.80 2p9a h GLN 154 CO -0.00 0.10 0.17 -0.22 -1.93 0.00 0.00 178.83 176.95 2p9a h LYS 155 N 0.06 0.33 -0.08 1.69 3.64 -1.19 0.12 116.57 121.14 2p9a h LYS 155 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2p9a h LYS 155 Cb 0.03 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2p9a h LYS 155 CO -0.00 0.22 0.01 0.35 -2.27 0.00 0.00 179.45 177.76 2p9a h PHE 156 N 0.34 0.14 -0.48 1.91 3.57 -1.24 -2.04 116.94 119.13 2p9a h PHE 156 Ca 0.27 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2p9a h PHE 156 Cb 0.34 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2p9a h PHE 156 CO -0.19 0.33 0.28 0.28 -2.23 0.00 0.00 178.31 176.79 2p9a h VAL 157 N -0.10 1.15 0.00 1.41 2.07 -0.80 -2.73 116.25 117.26 2p9a h VAL 157 Ca 0.02 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2p9a h VAL 157 Cb 0.27 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2p9a h VAL 157 CO 0.00 0.16 -0.39 -0.33 0.02 0.00 0.00 177.57 177.03 2p9a h GLU 158 N 0.64 0.00 0.00 1.57 5.08 -1.00 -2.16 114.58 118.72 2p9a h GLU 158 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2p9a h GLU 158 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2p9a h GLU 158 CO -0.03 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 2p9a h ALA 159 N 1.61 1.00 -0.02 3.43 0.00 -1.05 -0.69 119.26 123.54 2p9a h ALA 159 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p9a h ALA 159 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2p9a h ALA 159 CO 0.05 0.00 -0.07 0.39 0.00 0.00 0.00 179.25 179.62 2p9a n GLU 160 N -2.98 1.66 -0.65 0.00 -0.58 -0.85 -4.92 120.64 112.31 2p9a n GLU 160 Ca -0.00 -1.12 0.00 0.00 -0.42 0.00 0.00 57.16 55.62 2p9a n GLU 160 Cb 0.23 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2p9a n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p9a n GLY 161 N 1.26 0.63 3.91 0.62 0.00 -0.27 -5.06 105.19 106.28 2p9a n GLY 161 Ca 0.16 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 2p9a n GLY 161 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p9a s PHE 162 N -2.00 1.94 0.17 1.61 0.08 -0.98 -4.79 117.98 114.01 2p9a s PHE 162 Ca 0.00 -0.71 0.07 0.00 0.12 0.00 0.00 56.93 56.41 2p9a s PHE 162 Cb 0.00 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2p9a s PHE 162 CO 0.00 -0.45 -0.14 -1.54 -0.10 0.00 0.00 175.22 172.98 2p9a s SER 163 N -4.28 2.33 -0.18 1.36 1.04 -0.25 -3.72 113.70 109.99 2p9a s SER 163 Ca 0.43 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 2p9a s SER 163 Cb -0.03 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 2p9a s SER 163 CO 0.26 -0.16 0.02 -0.69 0.98 0.00 0.00 173.24 173.65 2p9a s VAL 164 N -2.60 4.28 0.16 5.02 1.01 -1.26 -0.71 120.40 126.30 2p9a s VAL 164 Ca 0.16 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 2p9a s VAL 164 Cb -0.02 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 2p9a s VAL 164 CO 0.05 0.45 1.34 -0.69 0.00 0.00 0.00 175.10 176.26 2p9a s VAL 165 N 0.61 3.27 -0.10 2.92 1.01 -0.55 -4.83 120.40 122.72 2p9a s VAL 165 Ca 0.01 0.97 0.16 0.00 0.00 0.00 0.00 61.98 63.12 2p9a s VAL 165 Cb -0.14 -3.62 -0.19 0.00 0.00 0.00 0.00 36.38 32.43 2p9a s VAL 165 CO 0.02 0.11 0.66 0.54 0.00 0.00 0.00 175.10 176.43 2p9a n ARG 166 N 3.26 0.63 0.30 2.72 5.12 -1.26 -4.37 116.66 123.06 2p9a n ARG 166 Ca 0.09 0.20 0.19 0.00 -1.93 0.00 0.00 57.85 56.39 2p9a n ARG 166 Cb 0.43 -1.75 0.90 0.00 -1.16 0.00 0.00 32.46 30.87 2p9a n ARG 166 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2p9a h GLU 167 N 0.00 0.00 -6.30 5.56 3.07 -1.94 -3.44 114.58 111.53 2p9a h GLU 167 Ca -0.24 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.03 2p9a h GLU 167 Cb 1.77 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 29.47 2p9a h GLU 167 CO 0.05 0.02 -0.83 0.71 -1.40 0.00 0.00 179.01 177.56 2p9a s TYR 168 N -3.92 1.92 0.19 4.33 1.51 -1.26 -5.15 117.35 114.97 2p9a s TYR 168 Ca -0.02 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2p9a s TYR 168 Cb 0.11 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2p9a s TYR 168 CO 0.50 0.26 0.22 0.00 -1.11 0.00 0.00 175.55 175.42 2p9a s GLY 170 N -3.07 1.63 0.14 0.00 0.00 0.65 -4.80 107.32 101.88 2p9a s GLY 170 Ca 0.28 -0.85 -0.24 0.00 0.00 0.00 0.00 44.72 43.91 2p9a s GLY 170 CO 0.07 -0.12 0.62 -2.38 0.00 0.00 0.00 173.10 171.30 2p9a s HIS 171 N -3.33 -0.53 0.80 1.90 -3.43 -1.18 -0.77 115.29 108.75 2p9a s HIS 171 Ca 0.69 0.34 -0.12 0.00 -0.80 0.00 0.00 55.06 55.17 2p9a s HIS 171 Cb -0.10 0.56 0.08 0.00 -1.43 0.00 0.00 32.58 31.68 2p9a s HIS 171 CO 0.54 -0.82 1.14 0.20 -2.00 0.00 0.00 174.74 173.80 2p9a s GLY 172 N -2.70 1.89 -0.08 -1.38 0.00 0.64 -0.33 107.32 105.35 2p9a s GLY 172 Ca 0.01 0.56 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 2p9a s GLY 172 CO -0.12 0.95 0.55 -1.50 0.00 0.00 0.00 173.10 172.98 2p9a s ILE 173 N -2.54 0.02 0.00 0.90 2.07 -0.70 -0.71 121.20 120.25 2p9a s ILE 173 Ca 0.67 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.78 2p9a s ILE 173 Cb -0.22 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.52 2p9a s ILE 173 CO 0.53 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 174.10 2p9a n GLY 174 N 1.50 -0.36 0.17 1.50 0.00 -1.26 -4.63 105.19 102.09 2p9a n GLY 174 Ca -0.18 0.63 0.13 0.00 0.00 0.00 0.00 46.02 46.60 2p9a n GLY 174 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2p9a h ARG 175 N 0.00 0.00 -6.32 1.61 3.08 -1.95 -1.01 114.38 109.78 2p9a h ARG 175 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2p9a h ARG 175 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 2p9a h ARG 175 CO 0.00 0.00 -0.65 0.20 -1.07 0.00 0.00 179.97 178.45 2p9a s GLY 176 N -3.79 1.86 -0.03 0.04 0.00 -1.26 -4.87 107.32 99.27 2p9a s GLY 176 Ca 0.06 -1.18 -0.18 0.00 0.00 0.00 0.00 44.72 43.42 2p9a s GLY 176 CO 0.53 -1.17 0.76 -2.75 0.00 0.00 0.00 173.10 170.47 2p9a h PHE 177 N 3.15 -0.54 -3.49 1.90 3.04 -1.90 -3.41 116.94 115.69 2p9a h PHE 177 Ca -0.47 -0.01 -0.70 0.00 3.98 0.00 0.00 57.97 60.77 2p9a h PHE 177 Cb 1.18 0.18 -0.35 0.00 2.56 0.00 0.00 35.95 39.52 2p9a h PHE 177 CO 0.61 -0.29 -0.52 -1.01 -2.02 0.00 0.00 178.31 175.08 2p9a s HIS 178 N -3.63 3.56 0.42 0.41 3.76 -1.26 -4.49 115.29 114.05 2p9a s HIS 178 Ca -0.10 -2.45 0.07 0.00 -0.15 0.00 0.00 55.06 52.43 2p9a s HIS 178 Cb 0.01 -3.23 -0.03 0.00 1.11 0.00 0.00 32.58 30.44 2p9a s HIS 178 CO 0.31 -0.95 0.32 -1.21 -0.85 0.00 0.00 174.74 172.36 2p9a s GLU 179 N 0.95 2.43 0.59 1.40 2.02 0.12 -4.93 118.70 121.28 2p9a s GLU 179 Ca 0.10 -1.65 -0.16 0.00 0.02 0.00 0.00 54.97 53.28 2p9a s GLU 179 Cb -0.23 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 2p9a s GLU 179 CO -0.04 -0.19 1.07 -1.21 0.02 0.00 0.00 175.26 174.92 2p9a s GLU 180 N -4.07 3.25 0.71 1.61 2.02 -1.26 -0.26 118.70 120.70 2p9a s GLU 180 Ca 0.46 1.30 -0.03 0.00 0.02 0.00 0.00 54.97 56.72 2p9a s GLU 180 Cb -0.01 -2.02 0.10 0.00 0.10 0.00 0.00 34.13 32.31 2p9a s GLU 180 CO 0.26 -0.88 0.99 -1.25 0.02 0.00 0.00 175.26 174.40 2p9a s PRO 181 N -3.92 1.83 -0.05 0.39 0.04 -1.26 -3.98 135.00 128.05 2p9a s PRO 181 Ca 0.66 -0.82 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 2p9a s PRO 181 Cb -0.18 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 2p9a s PRO 181 CO 0.35 -1.37 0.50 -0.65 0.04 0.00 0.00 177.00 175.87 2p9a s GLN 182 N -5.17 4.23 -0.65 4.56 -0.21 -1.26 -1.40 119.66 119.77 2p9a s GLN 182 Ca 0.64 0.53 -0.04 0.00 0.02 0.00 0.00 55.36 56.51 2p9a s GLN 182 Cb -0.07 -3.35 0.17 0.00 1.00 0.00 0.00 33.01 30.75 2p9a s GLN 182 CO 0.44 0.36 0.48 0.08 -2.12 0.00 0.00 175.29 174.53 2p9a s VAL 183 N -0.06 3.92 0.45 1.09 1.01 0.05 -4.94 120.40 121.91 2p9a s VAL 183 Ca 0.27 -2.93 -0.23 0.00 0.00 0.00 0.00 61.98 59.09 2p9a s VAL 183 Cb -0.16 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 2p9a s VAL 183 CO 0.13 -0.90 1.17 -0.76 0.00 0.00 0.00 175.10 174.75 2p9a s LEU 184 N -0.06 4.06 -0.34 3.92 1.02 -1.26 -0.25 118.68 125.76 2p9a s LEU 184 Ca 0.17 2.33 0.09 0.00 0.02 0.00 0.00 54.13 56.74 2p9a s LEU 184 Cb -0.19 -4.18 0.73 0.00 0.02 0.00 0.00 46.19 42.56 2p9a s LEU 184 CO -0.04 -0.87 1.80 1.41 0.02 0.00 0.00 176.35 178.68 2p9a n HIS 185 N -0.35 2.45 -3.84 0.29 8.25 -1.26 -4.07 115.22 116.69 2p9a n HIS 185 Ca 0.07 -1.29 -0.09 0.00 -0.26 0.00 0.00 57.72 56.14 2p9a n HIS 185 Cb 0.48 -0.71 -0.05 0.00 1.12 0.00 0.00 29.99 30.83 2p9a n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2p9a s TYR 186 N -3.04 0.09 -0.16 4.41 -0.85 -1.13 -3.52 117.35 113.15 2p9a s TYR 186 Ca 0.55 -0.45 -0.29 0.00 -0.52 0.00 0.00 57.07 56.36 2p9a s TYR 186 Cb 0.44 0.24 -0.01 0.00 0.38 0.00 0.00 41.96 43.02 2p9a s TYR 186 CO 0.13 -0.88 1.16 0.34 -1.52 0.00 0.00 175.55 174.78 2p9a s ASP 187 N -2.92 7.04 -0.03 -0.18 -1.08 -1.25 -4.22 116.67 114.03 2p9a s ASP 187 Ca 0.13 1.61 0.02 0.00 -0.52 0.00 0.00 52.55 53.79 2p9a s ASP 187 Cb 0.00 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 2p9a s ASP 187 CO -0.00 -0.66 -0.08 -0.55 0.52 0.00 0.00 175.17 174.39 2p9a s SER 188 N 1.56 1.16 0.00 -0.34 0.15 -1.26 -5.00 113.70 109.97 2p9a s SER 188 Ca 0.51 -0.18 0.10 0.00 0.70 0.00 0.00 55.95 57.09 2p9a s SER 188 Cb -0.20 -0.38 0.43 0.00 -1.71 0.00 0.00 66.02 64.17 2p9a s SER 188 CO 0.14 0.04 1.33 0.54 1.20 0.00 0.00 173.24 176.48 2p9a n ARG 189 N 3.48 0.00 0.04 5.44 1.74 -1.26 -2.17 116.66 123.94 2p9a n ARG 189 Ca -0.20 0.32 -0.06 0.00 -0.77 0.00 0.00 57.85 57.14 2p9a n ARG 189 Cb 0.53 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.36 2p9a n ARG 189 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2p9a h GLU 190 N 0.00 0.00 -6.29 5.56 4.81 -2.01 -3.46 114.58 113.20 2p9a h GLU 190 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 2p9a h GLU 190 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2p9a h GLU 190 CO 0.00 0.76 0.95 0.99 -0.73 0.00 0.00 179.01 180.97 2p9a s THR 191 N -2.71 3.76 -0.48 0.32 2.01 -0.92 -4.96 115.64 112.66 2p9a s THR 191 Ca -0.01 1.03 0.06 0.00 0.31 0.00 0.00 61.69 63.08 2p9a s THR 191 Cb 0.09 -3.66 0.18 0.00 0.01 0.00 0.00 72.50 69.12 2p9a s THR 191 CO 0.81 -0.05 0.59 -3.20 -0.69 0.00 0.00 174.62 172.08 2p9a n ASN 192 N 6.29 -2.40 -3.80 3.53 2.85 -1.26 -4.60 115.26 115.86 2p9a n ASN 192 Ca 0.15 -2.73 -0.24 0.00 -0.11 0.00 0.00 54.58 51.65 2p9a n ASN 192 Cb 0.43 0.93 -0.17 0.00 1.24 0.00 0.00 39.78 42.22 2p9a n ASN 192 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2p9a s VAL 193 N 0.58 0.53 -0.21 3.44 1.01 -1.26 -5.02 120.40 119.47 2p9a s VAL 193 Ca 0.31 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 2p9a s VAL 193 Cb 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2p9a s VAL 193 CO -0.10 0.23 0.34 -0.69 0.00 0.00 0.00 175.10 174.87 2p9a s VAL 194 N 1.90 5.24 0.41 2.92 1.01 -1.26 -0.58 120.40 130.05 2p9a s VAL 194 Ca 0.04 0.58 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 2p9a s VAL 194 Cb -0.13 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2p9a s VAL 194 CO -0.06 0.27 1.26 -0.76 0.00 0.00 0.00 175.10 175.81 2p9a s LEU 195 N 1.25 4.18 0.05 3.92 1.43 -0.24 -4.85 118.68 124.42 2p9a s LEU 195 Ca 0.16 2.55 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 2p9a s LEU 195 Cb -0.14 -3.97 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 2p9a s LEU 195 CO 0.07 -0.84 -0.13 -0.54 0.23 0.00 0.00 176.35 175.14 2p9a s LYS 196 N -2.31 0.82 0.38 1.70 1.02 -1.26 -1.45 119.74 118.63 2p9a s LYS 196 Ca 0.58 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 55.48 2p9a s LYS 196 Cb -0.36 -0.80 -0.11 0.00 -0.52 0.00 0.00 37.83 36.05 2p9a s LYS 196 CO 0.45 0.19 1.49 -2.30 -0.92 0.00 0.00 175.35 174.26 2p9a n PRO 197 N 1.66 2.68 0.00 -1.68 -0.02 -1.26 -2.55 135.00 133.83 2p9a n PRO 197 Ca -0.20 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2p9a n PRO 197 Cb 0.55 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2p9a n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p9a n GLY 198 N 0.48 1.05 3.76 -1.23 0.00 0.54 -4.85 105.19 104.94 2p9a n GLY 198 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2p9a n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p9a s MET 199 N -0.87 4.56 -0.12 1.61 -1.94 -1.06 -1.39 119.30 120.09 2p9a s MET 199 Ca 0.00 1.88 0.02 0.00 -1.71 0.00 0.00 55.69 55.88 2p9a s MET 199 Cb 0.00 -3.18 0.01 0.00 2.01 0.00 0.00 34.83 33.67 2p9a s MET 199 CO 0.00 0.08 -0.18 0.95 -0.01 0.00 0.00 175.02 175.86 2p9a s THR 200 N -0.90 1.72 0.32 2.05 -4.23 -1.26 -0.44 115.64 112.89 2p9a s THR 200 Ca 0.47 -0.77 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 2p9a s THR 200 Cb -0.33 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 71.98 2p9a s THR 200 CO 0.42 0.48 0.60 0.72 -0.54 0.00 0.00 174.62 176.30 2p9a s PHE 201 N 0.96 0.43 0.25 3.99 -0.12 -0.82 -1.71 117.98 120.96 2p9a s PHE 201 Ca -0.06 -0.86 0.10 0.00 -0.05 0.00 0.00 56.93 56.06 2p9a s PHE 201 Cb -0.15 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 2p9a s PHE 201 CO -0.02 -1.24 -0.06 0.95 -0.05 0.00 0.00 175.22 174.80 2p9a s THR 202 N -3.22 3.20 -0.08 -4.49 -4.23 0.55 -1.07 115.64 106.30 2p9a s THR 202 Ca 0.21 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2p9a s THR 202 Cb -0.03 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.15 2p9a s THR 202 CO 0.13 -0.33 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.19 2p9a s ILE 203 N -2.24 0.76 -0.41 2.99 1.01 -1.00 -3.10 121.20 119.20 2p9a s ILE 203 Ca 0.30 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.86 2p9a s ILE 203 Cb -0.07 -0.79 0.31 0.00 0.01 0.00 0.00 42.46 41.93 2p9a s ILE 203 CO 0.18 0.30 0.84 -1.84 0.00 0.00 0.00 174.94 174.42 2p9a n GLU 204 N 4.53 0.92 -1.69 2.79 0.28 -1.26 -2.36 120.64 123.85 2p9a n GLU 204 Ca -0.17 -2.72 -0.44 0.00 -0.16 0.00 0.00 57.16 53.67 2p9a n GLU 204 Cb 0.51 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 2p9a n GLU 204 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2p9a n PRO 205 N 0.63 2.22 -3.85 3.44 -0.04 -1.24 -4.78 135.00 131.40 2p9a n PRO 205 Ca 0.17 0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 64.06 2p9a n PRO 205 Cb 0.65 -2.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 2p9a n PRO 205 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2p9a s MET 206 N -0.24 3.31 -0.09 0.54 -1.94 -1.26 -3.58 119.30 116.03 2p9a s MET 206 Ca 0.69 -0.69 0.04 0.00 -1.71 0.00 0.00 55.69 54.01 2p9a s MET 206 Cb -0.61 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.06 2p9a s MET 206 CO 0.48 -0.28 -0.22 0.08 -0.01 0.00 0.00 175.02 175.06 2p9a s VAL 207 N 1.50 2.24 -0.06 -6.03 1.01 0.40 -1.48 120.40 117.97 2p9a s VAL 207 Ca 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2p9a s VAL 207 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2p9a s VAL 207 CO -0.01 0.56 0.08 0.20 0.00 0.00 0.00 175.10 175.94 2p9a s ASN 208 N 0.20 5.82 0.28 3.32 0.01 0.11 -0.57 114.94 124.12 2p9a s ASN 208 Ca -0.14 0.26 0.10 0.00 -0.71 0.00 0.00 52.86 52.37 2p9a s ASN 208 Cb -0.17 -1.75 0.40 0.00 0.41 0.00 0.00 41.25 40.15 2p9a s ASN 208 CO 0.07 0.34 1.64 0.00 -1.51 0.00 0.00 177.10 177.64 2p9a h ALA 209 N 4.64 1.03 -3.00 0.60 0.00 -1.14 -0.64 119.26 120.76 2p9a h ALA 209 Ca -0.51 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2p9a h ALA 209 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2p9a h ALA 209 CO 0.59 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.97 2p9a n GLY 210 N 0.13 1.12 3.85 0.00 0.00 -1.26 -4.59 105.19 104.44 2p9a n GLY 210 Ca -0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2p9a n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p9a s LYS 211 N 4.19 3.69 0.44 1.61 1.02 -1.26 -3.84 119.74 125.59 2p9a s LYS 211 Ca 0.00 0.89 0.24 0.00 0.02 0.00 0.00 55.97 57.11 2p9a s LYS 211 Cb 0.00 -2.10 0.93 0.00 -0.52 0.00 0.00 37.83 36.14 2p9a s LYS 211 CO 0.00 -0.49 1.83 1.57 -0.92 0.00 0.00 175.35 177.35 2p9a h LYS 212 N 0.26 0.00 -6.94 1.68 2.10 -1.90 -3.45 116.57 108.32 2p9a h LYS 212 Ca -0.45 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.65 2p9a h LYS 212 Cb 1.19 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.64 2p9a h LYS 212 CO 0.61 0.24 0.67 0.39 -2.00 0.00 0.00 179.45 179.36 2p9a n GLU 213 N -3.43 2.27 -4.51 0.07 4.71 -1.26 -4.68 120.64 113.80 2p9a n GLU 213 Ca -0.00 0.80 -0.24 0.00 -0.01 0.00 0.00 57.16 57.71 2p9a n GLU 213 Cb 0.42 -2.58 -0.11 0.00 -1.01 0.00 0.00 31.44 28.16 2p9a n GLU 213 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2p9a s ILE 214 N -1.18 1.50 -0.04 -3.67 -4.36 -1.26 -0.99 121.20 111.21 2p9a s ILE 214 Ca 0.60 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 2p9a s ILE 214 Cb -0.47 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.40 2p9a s ILE 214 CO 0.59 -0.00 0.10 -0.13 0.24 0.00 0.00 174.94 175.73 2p9a s ARG 215 N -3.82 0.08 -0.18 0.37 1.81 0.92 -4.60 118.95 113.53 2p9a s ARG 215 Ca 0.36 0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.47 2p9a s ARG 215 Cb 0.09 -0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 34.47 2p9a s ARG 215 CO 0.16 -0.09 0.22 0.99 -0.68 0.00 0.00 175.30 175.91 2p9a s THR 216 N 0.58 5.35 1.12 0.02 2.01 -1.26 -0.33 115.64 123.13 2p9a s THR 216 Ca -0.04 0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 2p9a s THR 216 Cb -0.06 -3.56 0.25 0.00 0.01 0.00 0.00 72.50 69.14 2p9a s THR 216 CO -0.02 0.41 1.07 -0.04 -0.69 0.00 0.00 174.62 175.34 2p9a s MET 217 N 0.41 -0.58 -0.02 4.92 1.00 0.16 -4.90 119.30 120.28 2p9a s MET 217 Ca 0.13 0.42 0.02 0.00 0.00 0.00 0.00 55.69 56.26 2p9a s MET 217 Cb -0.12 -1.63 0.10 0.00 0.00 0.00 0.00 34.83 33.19 2p9a s MET 217 CO 0.01 -3.39 0.79 1.63 0.00 0.00 0.00 175.02 174.06 2p9a n LYS 218 N -4.62 1.44 -0.11 2.03 5.02 -1.26 -2.37 118.16 118.29 2p9a n LYS 218 Ca 0.06 -0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.06 2p9a n LYS 218 Cb 0.57 -1.45 0.15 0.00 -0.02 0.00 0.00 35.03 34.29 2p9a n LYS 218 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2p9a n ASP 219 N -0.00 3.12 -0.01 4.39 5.75 -1.26 -4.95 116.55 123.59 2p9a n ASP 219 Ca 0.04 -1.94 -0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2p9a n ASP 219 Cb 0.29 -0.14 -0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2p9a n ASP 219 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2p9a n GLY 220 N 1.31 0.24 1.69 6.12 0.00 -1.00 -4.76 105.19 108.79 2p9a n GLY 220 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2p9a n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p9a n TRP 221 N -2.45 -0.35 -1.67 1.61 7.02 -1.26 -5.00 117.44 115.32 2p9a n TRP 221 Ca -0.00 0.06 -0.42 0.00 -1.02 0.00 0.00 57.50 56.12 2p9a n TRP 221 Cb 0.27 0.36 -0.03 0.00 -2.42 0.00 0.00 31.31 29.49 2p9a n TRP 221 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2p9a s THR 222 N -2.00 3.03 -0.14 -0.99 2.01 -1.25 -4.68 115.64 111.62 2p9a s THR 222 Ca 0.00 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2p9a s THR 222 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2p9a s THR 222 CO 0.00 -0.01 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.23 2p9a s VAL 223 N 4.84 4.23 0.21 3.82 1.01 -1.08 0.37 120.40 133.81 2p9a s VAL 223 Ca 0.89 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.69 2p9a s VAL 223 Cb -0.41 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2p9a s VAL 223 CO 0.41 0.51 -0.10 -0.54 0.00 0.00 0.00 175.10 175.38 2p9a s LYS 224 N 0.03 1.33 0.30 2.72 1.02 0.55 0.33 119.74 126.02 2p9a s LYS 224 Ca 0.02 -1.62 -0.29 0.00 0.02 0.00 0.00 55.97 54.10 2p9a s LYS 224 Cb -0.13 -0.96 -0.10 0.00 -0.52 0.00 0.00 37.83 36.12 2p9a s LYS 224 CO 0.02 0.09 1.16 0.95 -0.92 0.00 0.00 175.35 176.65 2p9a s THR 225 N -3.11 3.25 0.29 2.17 -4.23 -0.49 -0.06 115.64 113.47 2p9a s THR 225 Ca 0.24 1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 61.99 2p9a s THR 225 Cb 0.02 -3.80 0.26 0.00 1.34 0.00 0.00 72.50 70.31 2p9a s THR 225 CO 0.07 0.30 1.96 0.50 -0.54 0.00 0.00 174.62 176.91 2p9a h LYS 226 N 3.68 1.11 -0.30 3.99 3.64 -1.31 -1.61 116.57 125.77 2p9a h LYS 226 Ca -0.47 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2p9a h LYS 226 Cb 1.22 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2p9a h LYS 226 CO 0.66 0.74 0.00 -0.40 -2.27 0.00 0.00 179.45 178.19 2p9a n ASP 227 N -4.40 2.10 -2.14 4.20 5.68 -1.26 -4.93 116.55 115.80 2p9a n ASP 227 Ca 0.09 -1.87 -0.20 0.00 -0.50 0.00 0.00 54.79 52.31 2p9a n ASP 227 Cb 0.03 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 2p9a n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2p9a n ARG 228 N 0.62 -1.57 -2.17 0.11 5.12 -0.61 -4.99 116.66 113.17 2p9a n ARG 228 Ca 0.15 1.04 -0.29 0.00 -1.93 0.00 0.00 57.85 56.82 2p9a n ARG 228 Cb 0.37 -5.61 0.02 0.00 -1.16 0.00 0.00 32.46 26.08 2p9a n ARG 228 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2p9a s SER 229 N -2.25 5.92 0.65 0.55 1.04 -1.26 -4.77 113.70 113.58 2p9a s SER 229 Ca 0.00 1.08 -0.17 0.00 0.48 0.00 0.00 55.95 57.34 2p9a s SER 229 Cb 0.00 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.99 2p9a s SER 229 CO 0.00 -0.95 1.21 -0.76 0.98 0.00 0.00 173.24 173.72 2p9a s LEU 230 N -5.08 3.51 0.01 2.42 1.43 -1.26 -4.27 118.68 115.44 2p9a s LEU 230 Ca 0.54 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 56.00 2p9a s LEU 230 Cb -0.11 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2p9a s LEU 230 CO 0.49 -1.86 -0.02 -0.55 0.23 0.00 0.00 176.35 174.64 2p9a s SER 231 N -1.82 0.18 0.08 2.29 0.15 -0.39 -0.57 113.70 113.61 2p9a s SER 231 Ca 0.76 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 57.29 2p9a s SER 231 Cb -0.30 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2p9a s SER 231 CO 0.39 -0.06 -0.07 0.00 1.20 0.00 0.00 173.24 174.69 2p9a s ALA 232 N -0.37 0.82 -0.08 5.45 0.00 0.27 -4.72 121.76 123.13 2p9a s ALA 232 Ca -0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 2p9a s ALA 232 Cb -0.03 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.24 2p9a s ALA 232 CO -0.00 -0.14 0.39 -1.14 0.00 0.00 0.00 175.76 174.87 2p9a s GLN 233 N -2.90 0.62 0.02 0.00 0.74 -1.26 -0.45 119.66 116.44 2p9a s GLN 233 Ca 0.03 0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.65 2p9a s GLN 233 Cb -0.01 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.37 2p9a s GLN 233 CO -0.03 -0.14 -0.05 0.71 -0.55 0.00 0.00 175.29 175.23 2p9a s TYR 234 N -0.61 0.43 -0.04 1.67 1.51 -1.23 -3.98 117.35 115.09 2p9a s TYR 234 Ca -0.07 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.55 2p9a s TYR 234 Cb -0.04 -0.27 0.01 0.00 -0.11 0.00 0.00 41.96 41.56 2p9a s TYR 234 CO 0.03 -0.08 0.20 -2.00 -1.11 0.00 0.00 175.55 172.59 2p9a s GLU 235 N -1.03 0.39 0.03 -0.62 2.12 -0.69 -3.61 118.70 115.29 2p9a s GLU 235 Ca -0.08 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2p9a s GLU 235 Cb -0.07 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 2p9a s GLU 235 CO -0.00 -0.08 -0.04 -1.01 -0.54 0.00 0.00 175.26 173.59 2p9a s HIS 236 N -0.63 0.38 -0.13 5.30 3.76 -1.00 -2.66 115.29 120.32 2p9a s HIS 236 Ca -0.07 -0.58 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2p9a s HIS 236 Cb -0.04 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 2p9a s HIS 236 CO 0.01 -0.18 0.04 0.99 -0.85 0.00 0.00 174.74 174.76 2p9a s THR 237 N -1.69 4.66 0.18 1.30 2.01 -1.20 -2.39 115.64 118.50 2p9a s THR 237 Ca -0.12 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2p9a s THR 237 Cb -0.08 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2p9a s THR 237 CO -0.02 0.55 0.05 0.27 -0.69 0.00 0.00 174.62 174.78 2p9a s ILE 238 N -0.37 0.43 -0.05 1.82 -4.36 -0.23 -0.83 121.20 117.61 2p9a s ILE 238 Ca 0.09 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 2p9a s ILE 238 Cb -0.12 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2p9a s ILE 238 CO 0.02 -0.33 -0.16 0.54 0.24 0.00 0.00 174.94 175.25 2p9a s VAL 239 N -3.83 1.36 0.04 8.37 0.11 -0.78 -1.94 120.40 123.74 2p9a s VAL 239 Ca 0.28 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 2p9a s VAL 239 Cb 0.07 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2p9a s VAL 239 CO 0.06 0.40 1.03 -0.69 -3.33 0.00 0.00 175.10 172.57 2p9a s VAL 240 N 0.17 4.57 0.26 2.04 1.01 0.41 -1.36 120.40 127.50 2p9a s VAL 240 Ca -0.06 1.91 0.04 0.00 0.00 0.00 0.00 61.98 63.87 2p9a s VAL 240 Cb -0.12 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.07 2p9a s VAL 240 CO 0.03 0.19 0.32 0.35 0.00 0.00 0.00 175.10 175.98 2p9a n THR 241 N 3.61 0.00 0.21 3.92 -2.24 0.08 -0.34 114.28 119.52 2p9a n THR 241 Ca 0.06 -0.90 0.04 0.00 -2.27 0.00 0.00 64.05 60.97 2p9a n THR 241 Cb 0.49 -0.66 0.43 0.00 -2.10 0.00 0.00 70.33 68.50 2p9a n THR 241 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2p9a h ASP 242 N 0.11 0.00 0.00 3.42 3.32 -1.97 -3.29 116.42 118.01 2p9a h ASP 242 Ca -0.13 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 2p9a h ASP 242 Cb 0.57 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.84 2p9a h ASP 242 CO 0.19 0.28 -0.88 -0.46 -1.72 0.00 0.00 179.24 176.65 2p9a n ASN 243 N -4.20 1.13 0.00 6.45 0.23 -1.26 -4.63 115.26 112.98 2p9a n ASN 243 Ca -0.02 -2.44 0.00 0.00 -0.53 0.00 0.00 54.58 51.59 2p9a n ASN 243 Cb 0.33 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 2p9a n ASN 243 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p9a n GLY 244 N 0.08 -0.53 3.61 4.83 0.00 -1.24 -0.93 105.19 111.01 2p9a n GLY 244 Ca 0.09 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2p9a n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p9a s GLU 246 N -3.88 2.00 -0.23 0.00 2.12 -0.47 -1.25 118.70 116.99 2p9a s GLU 246 Ca 0.09 -0.49 -0.27 0.00 0.36 0.00 0.00 54.97 54.66 2p9a s GLU 246 Cb -0.02 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.67 2p9a s GLU 246 CO -0.01 -0.04 0.94 0.42 -0.54 0.00 0.00 175.26 176.03 2p9a s ILE 247 N 0.92 4.76 -0.73 -3.70 1.01 0.81 -1.86 121.20 122.41 2p9a s ILE 247 Ca -0.09 1.81 0.25 0.00 0.00 0.00 0.00 60.65 62.62 2p9a s ILE 247 Cb -0.15 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.16 2p9a s ILE 247 CO 0.00 -0.12 1.38 0.18 0.00 0.00 0.00 174.94 176.38 2p9a n LEU 248 N 6.12 0.64 -0.77 2.97 4.77 -0.01 -4.14 117.00 126.59 2p9a n LEU 248 Ca 0.09 0.21 0.03 0.00 -0.03 0.00 0.00 56.01 56.31 2p9a n LEU 248 Cb 0.47 -0.21 0.20 0.00 -2.33 0.00 0.00 43.42 41.55 2p9a n LEU 248 CO 0.50 -0.02 0.48 0.35 -1.33 0.00 0.00 177.39 177.37 2p9a n THR 249 N -1.98 2.31 -1.99 -5.08 -2.24 -1.23 -2.85 114.28 101.22 2p9a n THR 249 Ca 0.04 -3.02 -0.39 0.00 -2.27 0.00 0.00 64.05 58.41 2p9a n THR 249 Cb 0.42 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2p9a n THR 249 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2p9a s LEU 250 N -3.22 4.15 0.37 3.22 2.96 -1.26 -4.63 118.68 120.27 2p9a s LEU 250 Ca 0.40 2.70 0.08 0.00 -0.22 0.00 0.00 54.13 57.09 2p9a s LEU 250 Cb 0.38 -3.96 -0.06 0.00 0.50 0.00 0.00 46.19 43.04 2p9a s LEU 250 CO -0.04 -0.99 0.03 -0.13 -1.32 0.00 0.00 176.35 173.90 2p9a s ARG 251 N -2.37 2.04 0.48 1.98 0.52 -1.26 -4.90 118.95 115.43 2p9a s ARG 251 Ca 0.59 -1.89 0.20 0.00 -0.52 0.00 0.00 55.73 54.12 2p9a s ARG 251 Cb -0.39 -1.83 1.21 0.00 0.52 0.00 0.00 34.95 34.46 2p9a s ARG 251 CO 0.49 0.04 2.03 0.87 0.02 0.00 0.00 175.30 178.75 2p9a h LYS 252 N 1.75 0.00 -0.00 3.54 1.57 -1.96 -2.33 116.57 119.14 2p9a h LYS 252 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2p9a h LYS 252 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2p9a h LYS 252 CO 0.72 0.16 -0.21 -0.40 -0.57 0.00 0.00 179.45 179.15 2p9a n ASP 253 N -4.01 0.39 -4.76 0.86 5.75 -1.26 -4.87 116.55 108.65 2p9a n ASP 253 Ca -0.02 -0.22 -0.39 0.00 -0.01 0.00 0.00 54.79 54.15 2p9a n ASP 253 Cb 0.24 -0.08 0.01 0.00 -1.03 0.00 0.00 41.12 40.27 2p9a n ASP 253 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2p9a s ASP 254 N -2.77 5.99 -0.43 -1.12 1.01 -0.88 -4.92 116.67 113.55 2p9a s ASP 254 Ca 0.19 2.72 0.04 0.00 0.71 0.00 0.00 52.55 56.21 2p9a s ASP 254 Cb 0.19 -2.64 0.45 0.00 1.01 0.00 0.00 42.92 41.93 2p9a s ASP 254 CO 0.56 -1.08 1.43 0.35 0.21 0.00 0.00 175.17 176.64 2p9a n THR 255 N -0.23 2.84 -3.85 -1.27 -2.24 -1.26 -4.95 114.28 103.32 2p9a n THR 255 Ca 0.06 -3.99 -0.12 0.00 -2.27 0.00 0.00 64.05 57.73 2p9a n THR 255 Cb 0.44 -1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 2p9a n THR 255 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2p9a s ILE 256 N -4.79 0.04 0.57 2.28 2.07 -1.26 -5.16 121.20 114.95 2p9a s ILE 256 Ca 0.54 -0.33 -0.19 0.00 -1.41 0.00 0.00 60.65 59.27 2p9a s ILE 256 Cb 0.44 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.66 2p9a s ILE 256 CO -0.02 -0.18 1.14 -2.84 -1.91 0.00 0.00 174.94 171.13 2p9a s PRO 257 N -0.60 3.22 0.13 3.50 0.02 -1.26 -4.96 135.00 135.04 2p9a s PRO 257 Ca -0.07 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 62.44 2p9a s PRO 257 Cb -0.04 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 2p9a s PRO 257 CO 0.01 -0.96 1.55 0.00 -0.33 0.00 0.00 177.00 177.26 2p9a h ALA 258 N 1.01 0.57 -2.93 -1.55 0.00 -1.96 -3.41 119.26 110.99 2p9a h ALA 258 Ca -0.50 -0.31 -0.66 0.00 0.00 0.00 0.00 54.91 53.45 2p9a h ALA 258 Cb 1.27 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 2p9a h ALA 258 CO 0.56 0.42 -0.60 0.42 0.00 0.00 0.00 179.25 180.06 2p9a s ILE 259 N -4.84 4.46 -0.40 0.00 1.09 -1.26 -0.13 121.20 120.11 2p9a s ILE 259 Ca -0.12 -0.26 -0.06 0.00 -1.10 0.00 0.00 60.65 59.11 2p9a s ILE 259 Cb 0.10 -3.16 0.08 0.00 -1.06 0.00 0.00 42.46 38.43 2p9a s ILE 259 CO 0.82 0.23 0.20 -0.63 -0.10 0.00 0.00 174.94 175.46 2p9a s ILE 260 N 1.62 3.75 -0.01 2.92 1.01 -0.38 -5.04 121.20 125.06 2p9a s ILE 260 Ca 0.06 -1.61 -0.00 0.00 0.00 0.00 0.00 60.65 59.09 2p9a s ILE 260 Cb -0.16 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2p9a s ILE 260 CO 0.05 -0.51 0.06 -0.44 0.00 0.00 0.00 174.94 174.10 2p9a s SER 261 N 1.91 5.58 0.20 3.58 0.01 -1.26 -2.18 113.70 121.54 2p9a s SER 261 Ca 0.03 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2p9a s SER 261 Cb -0.23 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2p9a s SER 261 CO -0.00 0.29 0.03 1.41 0.41 0.00 0.00 173.24 175.37 2p9a n HIS 262 N 1.31 0.15 0.00 2.43 8.25 -0.11 -5.00 115.22 122.25 2p9a n HIS 262 Ca -0.14 -0.97 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 2p9a n HIS 262 Cb 0.53 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.50 2p9a n HIS 262 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58