#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c21 s ILE 3 N 0.00 5.03 0.14 0.00 1.01 -1.26 -4.55 121.20 121.56 1c21 s ILE 3 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 1c21 s ILE 3 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 1c21 s ILE 3 CO 0.00 -0.02 0.96 -0.94 0.00 0.00 0.00 174.94 174.93 1c21 s SER 4 N 1.61 7.53 -0.26 3.58 1.04 -1.26 -5.04 113.70 120.90 1c21 s SER 4 Ca 0.22 1.83 -0.08 0.00 0.48 0.00 0.00 55.95 58.39 1c21 s SER 4 Cb -0.15 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 1c21 s SER 4 CO 0.11 -0.02 0.10 -0.63 0.98 0.00 0.00 173.24 173.77 1c21 s ILE 5 N -0.24 4.53 0.34 -1.02 -1.09 -1.26 -4.59 121.20 117.86 1c21 s ILE 5 Ca 0.46 -0.10 -0.27 0.00 -2.23 0.00 0.00 60.65 58.51 1c21 s ILE 5 Cb -0.24 -3.13 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 1c21 s ILE 5 CO 0.30 0.32 1.05 -0.54 -1.23 0.00 0.00 174.94 174.84 1c21 s LYS 6 N 1.65 4.42 0.74 2.79 3.01 -0.20 -5.02 119.74 127.14 1c21 s LYS 6 Ca 0.07 1.60 -0.06 0.00 -1.01 0.00 0.00 55.97 56.56 1c21 s LYS 6 Cb -0.15 -2.85 0.10 0.00 -1.01 0.00 0.00 37.83 33.92 1c21 s LYS 6 CO 0.05 0.07 1.05 0.95 0.51 0.00 0.00 175.35 177.98 1c21 s THR 7 N -1.44 2.22 0.39 2.17 -4.23 -1.26 -4.78 115.64 108.71 1c21 s THR 7 Ca 0.51 -0.33 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1c21 s THR 7 Cb -0.26 -2.89 0.23 0.00 1.34 0.00 0.00 72.50 70.92 1c21 s THR 7 CO 0.32 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.75 1c21 h PRO 8 N -0.72 0.51 -0.35 3.99 0.11 -1.99 0.34 132.00 133.90 1c21 h PRO 8 Ca -0.42 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1c21 h PRO 8 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c21 h PRO 8 CO 0.51 0.42 -0.33 0.93 -0.21 0.00 0.00 178.00 179.31 1c21 h GLU 9 N 0.52 0.85 -0.56 1.05 3.07 -2.00 -2.09 114.58 115.42 1c21 h GLU 9 Ca 0.13 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1c21 h GLU 9 Cb 0.08 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1c21 h GLU 9 CO -0.02 1.08 0.34 -0.44 -1.40 0.00 0.00 179.01 178.58 1c21 h ASP 10 N 0.64 0.66 -0.19 1.42 3.32 -1.56 -2.38 116.42 118.33 1c21 h ASP 10 Ca 0.06 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1c21 h ASP 10 Cb 0.92 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1c21 h ASP 10 CO 0.08 0.52 0.06 0.40 -1.72 0.00 0.00 179.24 178.58 1c21 h ILE 11 N 0.75 1.13 -0.49 0.35 2.04 -0.81 -1.59 117.51 118.89 1c21 h ILE 11 Ca 0.20 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1c21 h ILE 11 Cb -0.03 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1c21 h ILE 11 CO -0.04 0.16 0.01 -0.08 0.00 0.00 0.00 178.15 178.21 1c21 h GLU 12 N 0.37 0.82 -0.12 2.37 4.22 -0.86 -1.21 114.58 120.18 1c21 h GLU 12 Ca 0.09 -0.22 -0.15 0.00 0.08 0.00 0.00 59.36 59.16 1c21 h GLU 12 Cb 0.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1c21 h GLU 12 CO -0.00 0.81 -0.58 0.87 -2.18 0.00 0.00 179.01 177.93 1c21 h LYS 13 N 0.76 0.38 -0.11 1.92 1.57 -1.19 -2.83 116.57 117.07 1c21 h LYS 13 Ca 0.15 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1c21 h LYS 13 Cb 0.44 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1c21 h LYS 13 CO 0.02 0.86 -0.43 0.52 -0.57 0.00 0.00 179.45 179.84 1c21 h MET 14 N 0.29 0.26 -0.81 3.15 2.86 -0.91 -1.77 114.93 118.00 1c21 h MET 14 Ca -0.00 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1c21 h MET 14 Cb 1.10 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 1c21 h MET 14 CO 0.10 0.65 0.39 0.00 1.06 0.00 0.00 176.91 179.11 1c21 h ARG 15 N 0.22 1.15 -0.02 1.72 3.08 -1.10 0.17 114.38 119.61 1c21 h ARG 15 Ca 0.02 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1c21 h ARG 15 Cb 0.86 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1c21 h ARG 15 CO 0.07 0.88 -0.03 0.28 -1.07 0.00 0.00 179.97 180.11 1c21 h VAL 16 N 1.15 1.41 -0.36 2.04 2.07 -1.22 -2.27 116.25 119.06 1c21 h VAL 16 Ca 0.28 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1c21 h VAL 16 Cb 0.11 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1c21 h VAL 16 CO -0.04 0.33 0.10 0.00 0.02 0.00 0.00 177.57 177.99 1c21 h ALA 17 N 0.49 1.50 -0.42 1.67 0.00 -1.23 -1.93 119.26 119.35 1c21 h ALA 17 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1c21 h ALA 17 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1c21 h ALA 17 CO 0.01 0.38 -0.11 0.78 0.00 0.00 0.00 179.25 180.30 1c21 h GLY 18 N 0.73 0.88 1.47 0.00 0.00 -0.63 -1.92 103.07 103.61 1c21 h GLY 18 Ca 0.12 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1c21 h GLY 18 CO -0.01 0.67 -0.30 -0.09 0.00 0.00 0.00 176.54 176.81 1c21 h ARG 19 N 0.63 0.60 -0.19 4.80 9.65 -1.09 -1.27 114.38 127.51 1c21 h ARG 19 Ca 0.10 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1c21 h ARG 19 Cb 0.64 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1c21 h ARG 19 CO 0.04 0.83 0.10 -0.07 2.80 0.00 0.00 179.97 183.67 1c21 h LEU 20 N 0.52 0.24 -0.73 3.80 3.38 -1.22 0.63 115.31 121.93 1c21 h LEU 20 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1c21 h LEU 20 Cb 0.77 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1c21 h LEU 20 CO 0.06 0.27 0.44 0.00 0.09 0.00 0.00 178.44 179.31 1c21 h ALA 21 N 0.97 0.92 -0.87 1.53 0.00 -1.14 -1.84 119.26 118.83 1c21 h ALA 21 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1c21 h ALA 21 Cb 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1c21 h ALA 21 CO -0.01 0.39 0.44 0.00 0.00 0.00 0.00 179.25 180.08 1c21 h ALA 22 N 1.23 1.12 -0.52 0.00 0.00 -0.91 -2.57 119.26 117.62 1c21 h ALA 22 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1c21 h ALA 22 Cb -0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1c21 h ALA 22 CO -0.05 0.66 0.33 1.49 0.00 0.00 0.00 179.25 181.69 1c21 h GLU 23 N 1.23 0.69 -0.86 0.00 4.81 -0.05 -1.11 114.58 119.28 1c21 h GLU 23 Ca 0.30 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1c21 h GLU 23 Cb 0.08 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1c21 h GLU 23 CO -0.04 0.46 0.52 0.28 -0.73 0.00 0.00 179.01 179.50 1c21 h VAL 24 N 0.70 1.24 -0.25 0.32 2.07 -1.02 -0.88 116.25 118.42 1c21 h VAL 24 Ca 0.19 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1c21 h VAL 24 Cb -0.06 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1c21 h VAL 24 CO -0.04 0.25 -0.37 -0.07 0.02 0.00 0.00 177.57 177.36 1c21 h LEU 25 N 1.18 0.60 -0.42 2.57 3.38 -1.33 -1.94 115.31 119.35 1c21 h LEU 25 Ca 0.31 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1c21 h LEU 25 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1c21 h LEU 25 CO -0.06 0.91 -0.30 -0.33 0.09 0.00 0.00 178.44 178.76 1c21 h GLU 26 N 0.48 0.95 -0.65 1.13 5.08 -0.70 -3.26 114.58 117.60 1c21 h GLU 26 Ca 0.05 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1c21 h GLU 26 Cb 0.86 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1c21 h GLU 26 CO 0.07 1.12 0.28 1.98 -1.00 0.00 0.00 179.01 181.46 1c21 h MET 27 N 0.78 0.96 0.00 2.33 4.05 -1.03 -3.21 114.93 118.82 1c21 h MET 27 Ca 0.08 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1c21 h MET 27 Cb 0.88 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1c21 h MET 27 CO 0.08 0.79 -0.05 0.97 0.23 0.00 0.00 176.91 178.93 1c21 h ILE 28 N 0.91 0.11 -0.98 1.77 6.09 -1.39 -3.38 117.51 120.64 1c21 h ILE 28 Ca 0.22 -0.79 0.11 0.00 -1.37 0.00 0.00 64.86 63.04 1c21 h ILE 28 Cb 0.17 1.71 -0.13 0.00 0.47 0.00 0.00 36.82 39.03 1c21 h ILE 28 CO -0.02 0.05 -0.51 -0.08 -3.07 0.00 0.00 178.15 174.52 1c21 h GLU 29 N 0.00 -0.01 0.00 2.19 4.81 -1.63 0.37 114.58 120.31 1c21 h GLU 29 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1c21 h GLU 29 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1c21 h GLU 29 CO 0.01 -0.01 0.03 -1.00 -0.73 0.00 0.00 179.01 177.31 1c21 h PRO 30 N -0.01 0.00 -0.00 0.92 0.13 -1.84 -1.46 132.00 129.74 1c21 h PRO 30 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1c21 h PRO 30 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1c21 h PRO 30 CO -0.95 0.00 -0.33 0.66 -0.23 0.00 0.00 178.00 177.15 1c21 n TYR 31 N -2.68 0.00 -2.70 1.56 4.02 0.13 -4.70 117.16 112.80 1c21 n TYR 31 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 1c21 n TYR 31 Cb 0.08 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.08 1c21 n TYR 31 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1c21 s VAL 32 N -2.93 4.24 0.12 -0.72 1.01 -0.55 -4.88 120.40 116.69 1c21 s VAL 32 Ca 0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1c21 s VAL 32 Cb 0.18 -4.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1c21 s VAL 32 CO 0.63 -1.79 0.04 -1.59 0.00 0.00 0.00 175.10 172.39 1c21 s LYS 33 N 4.04 0.88 0.41 2.72 0.00 -1.26 -4.72 119.74 121.80 1c21 s LYS 33 Ca 0.42 -1.41 -0.27 0.00 0.00 0.00 0.00 55.97 54.71 1c21 s LYS 33 Cb -0.01 0.23 -0.10 0.00 0.00 0.00 0.00 37.83 37.95 1c21 s LYS 33 CO -0.08 -0.24 1.47 -2.14 0.00 0.00 0.00 175.35 174.36 1c21 s PRO 34 N -4.03 3.94 0.00 1.78 0.02 -1.26 -2.36 135.00 133.09 1c21 s PRO 34 Ca 0.22 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1c21 s PRO 34 Cb 0.08 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.75 1c21 s PRO 34 CO 0.00 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1c21 n GLY 35 N 0.49 2.45 3.83 0.52 0.00 0.08 -4.98 105.19 107.57 1c21 n GLY 35 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1c21 n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c21 s VAL 36 N -2.57 4.53 0.39 1.61 -7.23 -0.99 -4.75 120.40 111.39 1c21 s VAL 36 Ca 0.00 1.26 -0.03 0.00 -1.81 0.00 0.00 61.98 61.40 1c21 s VAL 36 Cb 0.00 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1c21 s VAL 36 CO 0.00 -0.08 0.65 -0.94 -0.31 0.00 0.00 175.10 174.42 1c21 s SER 37 N -2.01 6.31 0.35 4.85 1.04 -1.26 -0.65 113.70 122.33 1c21 s SER 37 Ca 0.53 0.69 0.18 0.00 0.48 0.00 0.00 55.95 57.83 1c21 s SER 37 Cb -0.13 -2.14 0.55 0.00 0.10 0.00 0.00 66.02 64.40 1c21 s SER 37 CO 0.18 -0.39 1.67 0.71 0.98 0.00 0.00 173.24 176.39 1c21 h THR 38 N 0.66 0.92 -0.57 2.02 1.35 -0.98 -2.96 112.91 113.34 1c21 h THR 38 Ca -0.48 -1.70 -0.02 0.00 -0.55 0.00 0.00 66.41 63.65 1c21 h THR 38 Cb 1.21 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 1c21 h THR 38 CO 0.62 0.41 0.27 1.23 -0.25 0.00 0.00 175.52 177.81 1c21 h GLY 39 N 2.30 0.88 1.01 5.82 0.00 -1.25 -1.63 103.07 110.19 1c21 h GLY 39 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1c21 h GLY 39 CO 0.05 0.42 0.27 0.83 0.00 0.00 0.00 176.54 178.12 1c21 h GLU 40 N 0.77 0.98 -0.89 4.80 5.08 -1.80 -1.80 114.58 121.72 1c21 h GLU 40 Ca 0.20 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1c21 h GLU 40 Cb 0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1c21 h GLU 40 CO -0.02 0.81 0.54 -0.07 -1.00 0.00 0.00 179.01 179.26 1c21 h LEU 41 N 0.93 1.07 -0.53 1.33 3.38 -1.33 -0.89 115.31 119.25 1c21 h LEU 41 Ca 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1c21 h LEU 41 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1c21 h LEU 41 CO -0.02 0.82 0.27 -0.78 0.09 0.00 0.00 178.44 178.82 1c21 h ASP 42 N 1.22 0.69 -0.46 -0.43 3.58 -1.07 -1.20 116.42 118.75 1c21 h ASP 42 Ca 0.32 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 1c21 h ASP 42 Cb -0.05 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1c21 h ASP 42 CO -0.06 0.61 0.20 0.03 -2.88 0.00 0.00 179.24 177.14 1c21 h ARG 43 N 0.72 0.68 -0.51 0.28 3.08 -0.70 -0.14 114.38 117.78 1c21 h ARG 43 Ca 0.18 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1c21 h ARG 43 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1c21 h ARG 43 CO -0.03 0.60 0.34 0.82 -1.07 0.00 0.00 179.97 180.63 1c21 h ILE 44 N 0.61 1.13 -0.20 2.04 2.04 -1.00 -1.19 117.51 120.94 1c21 h ILE 44 Ca 0.16 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1c21 h ILE 44 Cb 0.16 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1c21 h ILE 44 CO -0.02 0.13 0.12 0.00 0.00 0.00 0.00 178.15 178.39 1c21 h ASN 46 N 0.24 0.64 -0.40 0.00 -0.73 -0.74 -1.21 115.58 113.38 1c21 h ASN 46 Ca 0.07 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1c21 h ASN 46 Cb 0.02 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1c21 h ASN 46 CO -0.01 0.43 0.25 0.44 -0.37 0.00 0.00 177.43 178.18 1c21 h ASP 47 N 0.78 0.47 -0.03 1.15 3.32 -1.07 -1.65 116.42 119.38 1c21 h ASP 47 Ca 0.28 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1c21 h ASP 47 Cb 0.08 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1c21 h ASP 47 CO -0.13 0.36 0.01 0.22 -1.72 0.00 0.00 179.24 177.98 1c21 h TYR 48 N 0.53 0.03 -0.10 4.55 5.03 -1.07 0.49 116.97 126.43 1c21 h TYR 48 Ca 0.14 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.49 1c21 h TYR 48 Cb -0.04 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 1c21 h TYR 48 CO -0.04 0.08 -0.14 0.82 -1.32 0.00 0.00 178.16 177.55 1c21 h ILE 49 N -0.02 0.62 0.00 1.81 2.04 -1.10 0.66 117.51 121.51 1c21 h ILE 49 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1c21 h ILE 49 Cb 0.05 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1c21 h ILE 49 CO -0.00 0.00 -0.15 0.58 0.00 0.00 0.00 178.15 178.58 1c21 h VAL 50 N -0.19 1.60 0.10 1.67 2.07 -1.20 0.89 116.25 121.19 1c21 h VAL 50 Ca 0.08 -1.97 -0.30 0.00 0.82 0.00 0.00 66.70 65.33 1c21 h VAL 50 Cb 0.31 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1c21 h VAL 50 CO -0.21 0.53 -1.56 0.78 0.02 0.00 0.00 177.57 177.12 1c21 h ASN 51 N -0.66 0.32 0.00 0.57 2.35 -0.08 -3.13 115.58 114.95 1c21 h ASN 51 Ca -0.02 -0.47 -0.26 0.00 -0.55 0.00 0.00 56.30 55.00 1c21 h ASN 51 Cb 0.94 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.17 1c21 h ASN 51 CO 0.03 1.40 -1.70 -0.62 -1.65 0.00 0.00 177.43 174.88 1c21 n GLU 52 N -3.39 0.56 0.23 0.81 -0.58 -0.45 -4.48 120.64 113.34 1c21 n GLU 52 Ca -0.17 0.34 0.15 0.00 -0.42 0.00 0.00 57.16 57.06 1c21 n GLU 52 Cb 1.04 -1.55 0.48 0.00 -0.57 0.00 0.00 31.44 30.85 1c21 n GLU 52 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1c21 h GLN 53 N -1.00 0.00 -4.77 3.49 4.20 -0.94 -3.47 115.11 112.63 1c21 h GLN 53 Ca -0.39 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 57.91 1c21 h GLN 53 Cb 1.29 0.00 0.06 0.00 0.30 0.00 0.00 27.48 29.13 1c21 h GLN 53 CO -0.24 0.00 -0.62 0.72 -0.67 0.00 0.00 178.83 178.02 1c21 n HIS 54 N -2.90 -2.11 -3.38 2.96 8.25 -0.83 -4.98 115.22 112.23 1c21 n HIS 54 Ca 0.02 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1c21 n HIS 54 Cb 0.37 -4.51 0.00 0.00 1.12 0.00 0.00 29.99 26.97 1c21 n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c21 n ALA 55 N -3.80 0.00 -2.91 -1.41 0.00 0.25 -5.00 120.51 107.64 1c21 n ALA 55 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1c21 n ALA 55 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 1c21 n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1c21 s VAL 56 N 0.16 0.23 -0.04 0.00 1.01 -0.89 -4.11 120.40 116.76 1c21 s VAL 56 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1c21 s VAL 56 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1c21 s VAL 56 CO 0.00 -0.32 0.90 -0.55 0.00 0.00 0.00 175.10 175.13 1c21 s SER 57 N -1.10 7.24 0.26 3.32 0.15 -1.26 -0.04 113.70 122.26 1c21 s SER 57 Ca -0.10 1.50 0.25 0.00 0.70 0.00 0.00 55.95 58.30 1c21 s SER 57 Cb -0.07 -2.52 0.90 0.00 -1.71 0.00 0.00 66.02 62.61 1c21 s SER 57 CO -0.00 -0.25 1.75 0.00 1.20 0.00 0.00 173.24 175.94 1c21 h ALA 58 N 6.85 1.00 0.10 5.45 0.00 -0.86 -3.29 119.26 128.51 1c21 h ALA 58 Ca -0.39 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 1c21 h ALA 58 Cb 1.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1c21 h ALA 58 CO 0.77 0.00 -1.20 0.00 0.00 0.00 0.00 179.25 178.81 1c21 n LEU 60 N -3.76 2.85 0.00 0.00 7.94 -1.09 -1.11 117.00 121.82 1c21 n LEU 60 Ca -0.12 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1c21 n LEU 60 Cb 0.97 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1c21 n LEU 60 CO 0.57 -0.73 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 1c21 n GLY 61 N 6.05 1.82 3.62 -3.96 0.00 0.22 -4.95 105.19 107.99 1c21 n GLY 61 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 1c21 n GLY 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c21 s TYR 62 N -2.33 1.36 -1.62 1.61 5.04 -0.27 -0.60 117.35 120.54 1c21 s TYR 62 Ca 0.00 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1c21 s TYR 62 Cb 0.00 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.28 1c21 s TYR 62 CO 0.00 -4.20 0.00 0.72 -1.34 0.00 0.00 175.55 170.73 1c21 n HIS 63 N 10.21 -0.65 -0.54 4.97 8.25 -1.26 -0.90 115.22 135.30 1c21 n HIS 63 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1c21 n HIS 63 Cb 0.44 -3.16 0.00 0.00 1.12 0.00 0.00 29.99 28.39 1c21 n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c21 n GLY 64 N -0.58 0.76 3.67 -1.41 0.00 0.24 -5.01 105.19 102.86 1c21 n GLY 64 Ca -0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 1c21 n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c21 n TYR 65 N -2.17 2.26 0.78 1.61 9.36 -0.08 -4.68 117.16 124.24 1c21 n TYR 65 Ca 0.00 0.23 0.13 0.00 3.32 0.00 0.00 57.90 61.58 1c21 n TYR 65 Cb 0.00 -2.56 0.36 0.00 -0.63 0.00 0.00 39.34 36.51 1c21 n TYR 65 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1c21 n PRO 66 N 3.97 0.15 -4.58 2.98 -0.04 -1.26 0.69 135.00 136.92 1c21 n PRO 66 Ca 0.18 0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.40 1c21 n PRO 66 Cb 0.28 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1c21 n PRO 66 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1c21 n LYS 67 N -1.87 0.78 0.00 0.54 4.76 -1.26 -4.86 118.16 116.25 1c21 n LYS 67 Ca 0.05 -3.64 -0.11 0.00 -2.87 0.00 0.00 58.31 51.74 1c21 n LYS 67 Cb 0.39 0.93 -0.14 0.00 -1.84 0.00 0.00 35.03 34.37 1c21 n LYS 67 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1c21 h SER 68 N 1.16 0.11 -4.13 4.39 0.02 -1.92 -2.88 113.55 110.30 1c21 h SER 68 Ca -0.41 -0.21 -0.37 0.00 -0.84 0.00 0.00 61.79 59.96 1c21 h SER 68 Cb 1.26 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.62 1c21 h SER 68 CO 0.68 1.18 -0.63 0.68 -1.14 0.00 0.00 176.83 177.61 1c21 s VAL 69 N -2.61 0.79 -0.16 2.27 -7.23 -1.26 -4.41 120.40 107.79 1c21 s VAL 69 Ca -0.07 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.06 1c21 s VAL 69 Cb 0.08 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1c21 s VAL 69 CO 0.82 -0.11 -0.05 0.00 -0.31 0.00 0.00 175.10 175.45 1c21 s ILE 71 N 0.49 1.62 -0.28 0.00 1.01 -0.29 -1.05 121.20 122.71 1c21 s ILE 71 Ca -0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 1c21 s ILE 71 Cb -0.14 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.60 1c21 s ILE 71 CO 0.03 0.06 -0.03 -0.44 0.00 0.00 0.00 174.94 174.56 1c21 s SER 72 N 1.38 4.65 -0.05 3.58 0.01 -0.26 -3.91 113.70 119.11 1c21 s SER 72 Ca -0.03 -1.12 -0.15 0.00 1.31 0.00 0.00 55.95 55.96 1c21 s SER 72 Cb -0.17 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 1c21 s SER 72 CO -0.07 -0.21 0.40 -0.63 0.41 0.00 0.00 173.24 173.14 1c21 s ILE 73 N 1.28 5.11 0.00 1.44 1.01 -1.26 -1.70 121.20 127.08 1c21 s ILE 73 Ca -0.03 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1c21 s ILE 73 Cb -0.19 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1c21 s ILE 73 CO -0.02 0.51 0.00 0.59 0.00 0.00 0.00 174.94 176.01 1c21 n ASN 74 N 2.42 0.00 0.00 3.58 3.02 -0.66 -0.61 115.26 123.01 1c21 n ASN 74 Ca -0.13 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.48 1c21 n ASN 74 Cb 0.52 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.97 1c21 n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1c21 n GLU 75 N 0.99 0.03 -2.51 3.52 0.00 -1.26 -1.90 120.64 119.50 1c21 n GLU 75 Ca 0.00 0.27 -0.42 0.00 0.00 0.00 0.00 57.16 57.00 1c21 n GLU 75 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1c21 n GLU 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1c21 s VAL 76 N -2.93 4.37 -0.09 3.84 1.01 0.22 -2.19 120.40 124.64 1c21 s VAL 76 Ca 0.07 1.69 -0.25 0.00 0.00 0.00 0.00 61.98 63.48 1c21 s VAL 76 Cb 0.08 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 1c21 s VAL 76 CO 0.22 0.00 0.91 0.58 0.00 0.00 0.00 175.10 176.81 1c21 h VAL 77 N 5.02 1.44 -2.74 2.92 2.07 -0.07 -3.40 116.25 121.50 1c21 h VAL 77 Ca -0.33 -1.72 0.10 0.00 0.82 0.00 0.00 66.70 65.57 1c21 h VAL 77 Cb 1.16 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 33.41 1c21 h VAL 77 CO 0.87 0.42 0.33 0.00 0.02 0.00 0.00 177.57 179.22 1c21 n HIS 79 N -0.45 0.00 -1.67 0.00 8.25 -1.26 -2.38 115.22 117.70 1c21 n HIS 79 Ca -0.06 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.96 1c21 n HIS 79 Cb 0.60 -2.32 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 1c21 n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c21 n GLY 80 N -0.70 0.87 3.64 -1.41 0.00 -1.25 -4.20 105.19 102.14 1c21 n GLY 80 Ca -0.10 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1c21 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c21 s ILE 81 N 0.10 5.01 0.52 -0.61 1.01 -1.26 -1.13 121.20 124.84 1c21 s ILE 81 Ca 0.70 1.13 -0.22 0.00 0.00 0.00 0.00 60.65 62.26 1c21 s ILE 81 Cb -0.65 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 37.83 1c21 s ILE 81 CO 0.48 0.07 1.11 -2.65 0.00 0.00 0.00 174.94 173.95 1c21 n PRO 82 N 5.38 1.35 -3.66 2.79 -0.02 -1.26 -4.91 135.00 134.66 1c21 n PRO 82 Ca -0.01 0.50 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1c21 n PRO 82 Cb 0.49 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1c21 n PRO 82 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1c21 s ASP 83 N -0.93 -0.63 0.58 2.55 -1.08 -1.26 -4.68 116.67 111.22 1c21 s ASP 83 Ca 0.69 1.19 0.36 0.00 -0.52 0.00 0.00 52.55 54.27 1c21 s ASP 83 Cb -0.46 1.21 1.77 0.00 -1.46 0.00 0.00 42.92 43.97 1c21 s ASP 83 CO 0.52 -0.23 2.15 0.44 0.52 0.00 0.00 175.17 178.57 1c21 h ASP 84 N 5.09 0.00 1.05 -0.34 3.32 -1.91 0.07 116.42 123.70 1c21 h ASP 84 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1c21 h ASP 84 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1c21 h ASP 84 CO 0.13 0.04 -0.77 0.00 -1.72 0.00 0.00 179.24 176.92 1c21 h ALA 85 N 1.96 0.58 -1.76 3.45 0.00 -1.98 -3.45 119.26 118.06 1c21 h ALA 85 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1c21 h ALA 85 Cb 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 1c21 h ALA 85 CO 0.00 0.00 0.55 0.21 0.00 0.00 0.00 179.25 180.02 1c21 s LYS 86 N -3.28 3.25 -0.08 0.00 2.47 -0.97 -5.02 119.74 116.11 1c21 s LYS 86 Ca 0.03 -0.47 -0.06 0.00 -1.56 0.00 0.00 55.97 53.91 1c21 s LYS 86 Cb 0.10 -4.11 -0.04 0.00 -1.46 0.00 0.00 37.83 32.32 1c21 s LYS 86 CO 0.75 -1.60 0.16 -0.51 0.16 0.00 0.00 175.35 174.31 1c21 s LEU 87 N 4.00 4.38 0.35 5.43 1.02 -1.26 -0.94 118.68 131.66 1c21 s LEU 87 Ca 0.27 0.43 -0.22 0.00 0.02 0.00 0.00 54.13 54.64 1c21 s LEU 87 Cb -0.14 -2.29 -0.10 0.00 0.02 0.00 0.00 46.19 43.69 1c21 s LEU 87 CO 0.16 0.35 0.89 -0.76 0.02 0.00 0.00 176.35 177.01 1c21 s LEU 88 N -1.38 4.16 0.24 1.79 1.43 0.18 -4.91 118.68 120.19 1c21 s LEU 88 Ca 0.20 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1c21 s LEU 88 Cb -0.12 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 41.89 1c21 s LEU 88 CO 0.10 -0.18 -0.07 -0.54 0.23 0.00 0.00 176.35 175.89 1c21 s LYS 89 N -2.58 1.42 0.33 1.70 3.01 -1.26 -0.74 119.74 121.62 1c21 s LYS 89 Ca 0.54 -1.70 -0.29 0.00 -1.01 0.00 0.00 55.97 53.52 1c21 s LYS 89 Cb -0.14 -0.98 -0.12 0.00 -1.01 0.00 0.00 37.83 35.58 1c21 s LYS 89 CO 0.19 0.04 1.42 -3.47 0.51 0.00 0.00 175.35 174.03 1c21 n ASP 90 N -0.48 3.25 0.00 2.83 2.03 -1.26 -1.74 116.55 121.19 1c21 n ASP 90 Ca -0.06 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1c21 n ASP 90 Cb 0.63 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1c21 n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c21 n GLY 91 N 1.12 2.48 3.75 0.27 0.00 0.11 -4.91 105.19 108.01 1c21 n GLY 91 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1c21 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c21 s ASP 92 N -2.16 5.10 -0.09 1.61 1.01 -0.71 -4.55 116.67 116.88 1c21 s ASP 92 Ca 0.00 2.32 0.03 0.00 0.71 0.00 0.00 52.55 55.61 1c21 s ASP 92 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1c21 s ASP 92 CO 0.00 -1.65 -0.19 0.27 0.21 0.00 0.00 175.17 173.81 1c21 s ILE 93 N -1.75 2.56 -0.00 0.77 -4.36 -1.26 -1.21 121.20 115.94 1c21 s ILE 93 Ca 0.75 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 60.28 1c21 s ILE 93 Cb -0.28 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1c21 s ILE 93 CO 0.35 0.56 -0.01 0.54 0.24 0.00 0.00 174.94 176.62 1c21 s VAL 94 N -0.03 0.08 -0.15 8.37 0.11 0.46 -1.65 120.40 127.59 1c21 s VAL 94 Ca -0.06 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1c21 s VAL 94 Cb -0.15 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1c21 s VAL 94 CO 0.05 0.03 0.14 0.21 -3.33 0.00 0.00 175.10 172.19 1c21 s ASN 95 N 0.11 6.32 -0.19 3.54 3.84 -0.69 0.89 114.94 128.75 1c21 s ASN 95 Ca -0.01 0.38 0.01 0.00 0.21 0.00 0.00 52.86 53.45 1c21 s ASN 95 Cb -0.02 -2.07 0.03 0.00 -0.55 0.00 0.00 41.25 38.64 1c21 s ASN 95 CO -0.00 0.33 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.83 1c21 s ILE 96 N -0.52 1.98 -0.21 -5.21 1.01 -0.76 -1.11 121.20 116.39 1c21 s ILE 96 Ca 0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1c21 s ILE 96 Cb -0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1c21 s ILE 96 CO 0.02 0.40 -0.06 -0.62 0.00 0.00 0.00 174.94 174.68 1c21 s ASP 97 N 1.29 4.21 -0.02 3.58 -1.08 -0.22 -2.62 116.67 121.81 1c21 s ASP 97 Ca 0.02 -0.40 0.08 0.00 -0.52 0.00 0.00 52.55 51.73 1c21 s ASP 97 Cb -0.14 -1.71 -0.02 0.00 -1.46 0.00 0.00 42.92 39.58 1c21 s ASP 97 CO -0.11 0.00 -0.25 -0.69 0.52 0.00 0.00 175.17 174.64 1c21 s VAL 98 N 1.35 2.18 -0.14 1.11 1.01 -0.34 -2.21 120.40 123.36 1c21 s VAL 98 Ca 0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1c21 s VAL 98 Cb -0.14 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1c21 s VAL 98 CO -0.03 0.56 0.06 -0.89 0.00 0.00 0.00 175.10 174.80 1c21 s THR 99 N -0.64 0.15 0.08 3.92 2.01 -1.26 -1.47 115.64 118.42 1c21 s THR 99 Ca 0.10 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1c21 s THR 99 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1c21 s THR 99 CO -0.01 -0.09 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.12 1c21 s VAL 100 N 2.04 3.90 -0.13 3.82 1.01 -0.60 -0.16 120.40 130.27 1c21 s VAL 100 Ca 0.02 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1c21 s VAL 100 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1c21 s VAL 100 CO -0.07 0.16 -0.13 -0.63 0.00 0.00 0.00 175.10 174.43 1c21 s ILE 101 N -1.26 3.01 -0.03 2.22 1.01 0.94 -1.63 121.20 125.47 1c21 s ILE 101 Ca 0.24 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1c21 s ILE 101 Cb -0.12 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.12 1c21 s ILE 101 CO 0.16 0.52 0.06 -0.75 0.00 0.00 0.00 174.94 174.94 1c21 s LYS 102 N 0.40 -0.03 -1.59 2.79 2.47 -0.45 -2.10 119.74 121.23 1c21 s LYS 102 Ca -0.11 0.28 -0.16 0.00 -1.56 0.00 0.00 55.97 54.43 1c21 s LYS 102 Cb -0.16 -0.30 0.11 0.00 -1.46 0.00 0.00 37.83 36.02 1c21 s LYS 102 CO 0.05 -0.22 0.91 -0.25 0.16 0.00 0.00 175.35 176.01 1c21 n ASP 103 N 4.52 -4.34 0.00 1.43 8.00 -1.26 -1.07 116.55 123.83 1c21 n ASP 103 Ca -0.21 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1c21 n ASP 103 Cb 0.50 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1c21 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c21 n GLY 104 N -1.58 1.15 3.68 0.44 0.00 -1.26 -5.01 105.19 102.61 1c21 n GLY 104 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1c21 n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c21 s PHE 105 N -3.19 3.06 0.14 1.61 0.08 -0.23 -4.38 117.98 115.06 1c21 s PHE 105 Ca 0.00 0.06 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 1c21 s PHE 105 Cb 0.00 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1c21 s PHE 105 CO 0.00 0.46 0.36 -1.01 -0.10 0.00 0.00 175.22 174.93 1c21 s HIS 106 N -1.10 3.48 -0.09 0.36 3.76 -0.18 -1.34 115.29 120.17 1c21 s HIS 106 Ca 0.20 0.50 -0.00 0.00 -0.15 0.00 0.00 55.06 55.61 1c21 s HIS 106 Cb -0.12 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.64 1c21 s HIS 106 CO 0.11 0.45 -0.06 0.20 -0.85 0.00 0.00 174.74 174.59 1c21 s GLY 107 N -2.51 0.70 -0.11 -2.22 0.00 -0.64 -4.69 107.32 97.85 1c21 s GLY 107 Ca 0.40 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1c21 s GLY 107 CO 0.25 0.77 -0.12 -0.35 0.00 0.00 0.00 173.10 173.65 1c21 s ASP 108 N 1.57 2.28 0.08 1.64 3.68 -1.26 -1.56 116.67 123.10 1c21 s ASP 108 Ca 0.01 -0.38 -0.24 0.00 2.13 0.00 0.00 52.55 54.08 1c21 s ASP 108 Cb -0.13 -0.99 0.06 0.00 -1.45 0.00 0.00 42.92 40.42 1c21 s ASP 108 CO -0.05 -0.03 0.58 0.28 0.13 0.00 0.00 175.17 176.08 1c21 s THR 109 N 1.19 0.01 0.11 1.71 -1.32 -0.55 -3.49 115.64 113.31 1c21 s THR 109 Ca -0.03 -0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 60.18 1c21 s THR 109 Cb -0.14 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 69.87 1c21 s THR 109 CO -0.04 -0.06 0.36 -0.94 -2.21 0.00 0.00 174.62 171.73 1c21 s SER 110 N -2.23 -0.18 0.16 8.08 1.04 -1.07 -1.20 113.70 118.31 1c21 s SER 110 Ca -0.03 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1c21 s SER 110 Cb -0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1c21 s SER 110 CO -0.05 -0.80 0.38 -1.59 0.98 0.00 0.00 173.24 172.15 1c21 s LYS 111 N -3.63 1.18 0.05 4.02 -2.85 -1.08 -1.94 119.74 115.49 1c21 s LYS 111 Ca 0.02 -0.95 -0.07 0.00 -1.00 0.00 0.00 55.97 53.97 1c21 s LYS 111 Cb 0.02 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 1c21 s LYS 111 CO -0.11 -0.46 0.31 -1.64 0.10 0.00 0.00 175.35 173.56 1c21 s MET 112 N -3.89 3.62 -0.01 1.78 -1.94 -1.26 -1.82 119.30 115.78 1c21 s MET 112 Ca 0.10 -0.03 0.06 0.00 -1.71 0.00 0.00 55.69 54.11 1c21 s MET 112 Cb 0.02 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 1c21 s MET 112 CO -0.05 0.60 -0.19 -0.06 -0.01 0.00 0.00 175.02 175.32 1c21 s PHE 113 N -1.38 1.68 -0.20 -0.03 0.40 0.26 -4.93 117.98 113.78 1c21 s PHE 113 Ca 0.31 -0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1c21 s PHE 113 Cb -0.13 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1c21 s PHE 113 CO 0.18 -0.02 0.06 0.42 0.70 0.00 0.00 175.22 176.56 1c21 s ILE 114 N -0.48 4.53 -0.16 0.64 1.01 -1.26 -0.40 121.20 125.07 1c21 s ILE 114 Ca 0.07 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1c21 s ILE 114 Cb -0.07 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1c21 s ILE 114 CO -0.00 0.42 0.73 -0.69 0.00 0.00 0.00 174.94 175.40 1c21 s VAL 115 N 0.81 4.96 0.00 2.92 1.01 -0.35 -4.92 120.40 124.83 1c21 s VAL 115 Ca 0.03 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1c21 s VAL 115 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1c21 s VAL 115 CO 0.02 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1c21 n GLY 116 N 3.52 2.98 3.67 4.51 0.00 -1.26 0.09 105.19 118.70 1c21 n GLY 116 Ca 0.01 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1c21 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c21 s LYS 117 N 0.00 4.27 0.68 1.61 0.00 -1.26 -4.72 119.74 120.33 1c21 s LYS 117 Ca 0.00 1.51 -0.12 0.00 0.00 0.00 0.00 55.97 57.36 1c21 s LYS 117 Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 37.83 34.17 1c21 s LYS 117 CO 0.00 -0.61 1.07 -1.25 0.00 0.00 0.00 175.35 174.56 1c21 s PRO 118 N 3.09 2.90 0.29 1.78 0.04 -1.26 -1.61 135.00 140.23 1c21 s PRO 118 Ca 0.50 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.67 1c21 s PRO 118 Cb -0.19 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1c21 s PRO 118 CO 0.12 -1.14 0.43 0.95 0.04 0.00 0.00 177.00 177.41 1c21 s THR 119 N -2.84 4.67 0.10 1.26 -4.23 -1.26 -4.92 115.64 108.41 1c21 s THR 119 Ca 0.60 -0.95 -0.20 0.00 -1.18 0.00 0.00 61.69 59.96 1c21 s THR 119 Cb -0.15 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 69.96 1c21 s THR 119 CO 0.50 -0.26 1.64 0.40 -0.54 0.00 0.00 174.62 176.36 1c21 h ILE 120 N 1.00 1.16 -0.27 2.99 5.03 -1.99 -2.31 117.51 123.11 1c21 h ILE 120 Ca -0.49 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1c21 h ILE 120 Cb 1.24 1.09 -0.01 0.00 -3.03 0.00 0.00 36.82 36.10 1c21 h ILE 120 CO 0.57 0.15 0.18 -0.03 -0.68 0.00 0.00 178.15 178.34 1c21 h MET 121 N 0.19 0.36 -0.44 2.37 4.05 -1.99 -1.49 114.93 117.98 1c21 h MET 121 Ca 0.07 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1c21 h MET 121 Cb 0.16 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1c21 h MET 121 CO -0.01 0.25 0.20 0.78 0.23 0.00 0.00 176.91 178.36 1c21 h GLY 122 N 0.37 0.69 0.92 1.39 0.00 -1.91 0.06 103.07 104.59 1c21 h GLY 122 Ca 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1c21 h GLY 122 CO -0.02 0.34 0.08 -2.09 0.00 0.00 0.00 176.54 174.85 1c21 h GLU 123 N 0.57 0.22 -0.23 4.80 4.81 -1.29 -1.09 114.58 122.37 1c21 h GLU 123 Ca 0.15 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1c21 h GLU 123 Cb 0.15 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1c21 h GLU 123 CO -0.02 0.25 0.06 -0.09 -0.73 0.00 0.00 179.01 178.48 1c21 h ARG 124 N 0.14 0.15 -0.86 1.92 2.43 -1.15 -0.40 114.38 116.61 1c21 h ARG 124 Ca 0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1c21 h ARG 124 Cb 0.09 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1c21 h ARG 124 CO -0.01 0.10 0.53 1.25 -1.51 0.00 0.00 179.97 180.33 1c21 h LEU 125 N 0.15 1.03 -0.45 3.80 5.85 -0.80 -0.96 115.31 123.93 1c21 h LEU 125 Ca 0.10 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1c21 h LEU 125 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1c21 h LEU 125 CO -0.13 0.79 -0.04 0.00 -0.34 0.00 0.00 178.44 178.72 1c21 h ARG 127 N 0.66 0.62 -0.43 0.00 2.43 -0.60 -1.48 114.38 115.58 1c21 h ARG 127 Ca 0.12 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1c21 h ARG 127 Cb 0.56 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1c21 h ARG 127 CO 0.03 0.43 -0.14 0.82 -1.51 0.00 0.00 179.97 179.59 1c21 h ILE 128 N 0.63 1.26 -0.40 1.20 1.08 -1.14 -1.47 117.51 118.66 1c21 h ILE 128 Ca 0.17 -1.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.36 1c21 h ILE 128 Cb -0.05 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1c21 h ILE 128 CO -0.04 0.42 0.05 0.74 -0.69 0.00 0.00 178.15 178.63 1c21 h THR 129 N 0.71 1.25 -0.53 -0.27 2.02 -1.09 -0.70 112.91 114.29 1c21 h THR 129 Ca 0.11 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1c21 h THR 129 Cb 0.64 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1c21 h THR 129 CO 0.04 0.31 0.20 -0.61 0.37 0.00 0.00 175.52 175.83 1c21 h GLN 130 N 0.53 0.81 -0.72 6.66 4.15 -1.10 -2.20 115.11 123.24 1c21 h GLN 130 Ca 0.12 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.40 1c21 h GLN 130 Cb 0.40 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1c21 h GLN 130 CO 0.01 0.72 0.48 0.93 -1.93 0.00 0.00 178.83 179.04 1c21 h GLU 131 N 0.73 0.92 -0.11 1.69 5.08 -1.12 0.31 114.58 122.09 1c21 h GLU 131 Ca 0.18 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1c21 h GLU 131 Cb 0.23 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1c21 h GLU 131 CO -0.01 0.61 -0.33 0.66 -1.00 0.00 0.00 179.01 178.94 1c21 h SER 132 N 0.95 0.21 -0.17 1.42 4.64 -0.64 -0.61 113.55 119.35 1c21 h SER 132 Ca 0.27 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 1c21 h SER 132 Cb -0.07 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1c21 h SER 132 CO -0.06 0.54 -0.55 0.25 -0.87 0.00 0.00 176.83 176.13 1c21 h LEU 133 N 0.18 0.79 -0.72 5.97 5.85 -0.55 -2.79 115.31 124.05 1c21 h LEU 133 Ca 0.02 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 1c21 h LEU 133 Cb 0.68 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1c21 h LEU 133 CO 0.05 1.25 0.35 1.88 -0.34 0.00 0.00 178.44 181.63 1c21 h TYR 134 N 0.37 1.03 -0.55 1.25 -1.99 -0.77 -0.98 116.97 115.33 1c21 h TYR 134 Ca -0.02 -0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.73 1c21 h TYR 134 Cb 1.18 -0.32 -0.05 0.00 2.00 0.00 0.00 36.73 39.53 1c21 h TYR 134 CO 0.09 0.75 0.25 1.25 -0.00 0.00 0.00 178.16 180.51 1c21 h LEU 135 N 1.00 0.33 -0.64 3.88 6.46 -1.08 -1.71 115.31 123.55 1c21 h LEU 135 Ca 0.25 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1c21 h LEU 135 Cb 0.11 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1c21 h LEU 135 CO -0.03 0.22 0.40 0.00 -0.62 0.00 0.00 178.44 178.40 1c21 h ALA 136 N 1.33 0.81 -0.84 1.25 0.00 -1.15 -2.68 119.26 117.99 1c21 h ALA 136 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1c21 h ALA 136 Cb 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1c21 h ALA 136 CO -0.21 0.27 0.55 -0.07 0.00 0.00 0.00 179.25 179.78 1c21 h LEU 137 N 0.86 0.96 -0.78 0.00 3.38 -0.49 -1.99 115.31 117.26 1c21 h LEU 137 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1c21 h LEU 137 Cb -0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1c21 h LEU 137 CO -0.05 0.70 0.00 0.54 0.09 0.00 0.00 178.44 179.73 1c21 n ARG 138 N -4.40 0.17 0.04 1.13 1.74 -0.71 -2.68 116.66 111.95 1c21 n ARG 138 Ca 0.09 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.72 1c21 n ARG 138 Cb 0.03 -1.86 -0.09 0.00 -1.02 0.00 0.00 32.46 29.51 1c21 n ARG 138 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1c21 n MET 139 N -2.20 0.63 -1.68 5.56 2.81 -0.76 -4.95 117.12 116.55 1c21 n MET 139 Ca 0.02 -0.02 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 1c21 n MET 139 Cb 0.19 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 1c21 n MET 139 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1c21 n VAL 140 N -2.52 0.54 -3.56 2.03 0.31 -1.09 -4.96 118.33 109.08 1c21 n VAL 140 Ca -0.04 -0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.12 1c21 n VAL 140 Cb 0.61 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1c21 n VAL 140 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1c21 s LYS 141 N 3.59 0.58 0.45 5.55 -2.85 -1.26 -3.98 119.74 121.81 1c21 s LYS 141 Ca 0.88 -0.12 -0.25 0.00 -1.00 0.00 0.00 55.97 55.48 1c21 s LYS 141 Cb -0.55 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.40 1c21 s LYS 141 CO 0.44 -0.23 1.32 -2.30 0.10 0.00 0.00 175.35 174.68 1c21 n PRO 142 N 0.09 1.98 0.00 1.78 -0.02 -1.26 -2.81 135.00 134.76 1c21 n PRO 142 Ca -0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1c21 n PRO 142 Cb 0.60 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1c21 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c21 n GLY 143 N 0.74 3.31 3.86 -1.23 0.00 -0.09 -4.95 105.19 106.83 1c21 n GLY 143 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1c21 n GLY 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1c21 s ILE 144 N -2.26 4.66 -0.03 -0.61 2.07 -1.12 -4.67 121.20 119.23 1c21 s ILE 144 Ca 0.00 0.93 -0.20 0.00 -1.41 0.00 0.00 60.65 59.97 1c21 s ILE 144 Cb 0.00 -3.68 -0.05 0.00 0.13 0.00 0.00 42.46 38.86 1c21 s ILE 144 CO 0.00 -0.45 0.56 0.21 -1.91 0.00 0.00 174.94 173.35 1c21 s ASN 145 N -2.81 6.90 0.50 4.50 3.84 -1.26 -0.63 114.94 125.98 1c21 s ASN 145 Ca 0.55 1.07 0.26 0.00 0.21 0.00 0.00 52.86 54.95 1c21 s ASN 145 Cb -0.10 -2.34 1.36 0.00 -0.55 0.00 0.00 41.25 39.62 1c21 s ASN 145 CO 0.26 0.08 1.90 -0.07 -2.79 0.00 0.00 177.10 176.48 1c21 h LEU 146 N 5.90 0.11 -1.07 3.21 3.38 -0.92 -0.79 115.31 125.12 1c21 h LEU 146 Ca -0.44 0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.68 1c21 h LEU 146 Cb 1.20 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1c21 h LEU 146 CO 0.71 0.04 0.62 -0.09 0.09 0.00 0.00 178.44 179.81 1c21 h ARG 147 N 0.11 0.85 -0.48 1.13 2.43 -1.81 0.55 114.38 117.16 1c21 h ARG 147 Ca 0.40 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1c21 h ARG 147 Cb 1.41 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1c21 h ARG 147 CO -0.05 0.56 0.25 0.93 -1.51 0.00 0.00 179.97 180.15 1c21 h GLU 148 N 0.88 0.66 -0.22 0.20 5.08 -1.53 -1.42 114.58 118.23 1c21 h GLU 148 Ca 0.51 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.73 1c21 h GLU 148 Cb 0.64 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1c21 h GLU 148 CO -0.28 0.50 -0.14 0.82 -1.00 0.00 0.00 179.01 178.91 1c21 h ILE 149 N 0.67 1.31 -0.59 3.13 2.04 -1.00 -1.44 117.51 121.63 1c21 h ILE 149 Ca 0.17 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1c21 h ILE 149 Cb 0.04 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1c21 h ILE 149 CO -0.03 0.38 0.30 1.23 0.00 0.00 0.00 178.15 180.04 1c21 h GLY 150 N 0.18 0.90 1.00 5.37 0.00 -1.15 -2.16 103.07 107.21 1c21 h GLY 150 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1c21 h GLY 150 CO 0.04 0.41 0.40 0.00 0.00 0.00 0.00 176.54 177.39 1c21 h ALA 151 N 1.13 0.88 -0.54 3.60 0.00 -1.21 -1.56 119.26 121.56 1c21 h ALA 151 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1c21 h ALA 151 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1c21 h ALA 151 CO -0.03 0.37 0.25 0.00 0.00 0.00 0.00 179.25 179.84 1c21 h ALA 152 N 1.20 0.70 0.27 0.00 0.00 -0.91 -1.00 119.26 119.53 1c21 h ALA 152 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1c21 h ALA 152 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1c21 h ALA 152 CO -0.04 0.28 -0.19 0.82 0.00 0.00 0.00 179.25 180.11 1c21 h ILE 153 N 0.73 0.59 -0.25 0.00 2.04 -1.19 -1.63 117.51 117.80 1c21 h ILE 153 Ca 0.19 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 1c21 h ILE 153 Cb 0.14 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1c21 h ILE 153 CO -0.02 0.00 -0.11 -0.61 0.00 0.00 0.00 178.15 177.41 1c21 h GLN 154 N -0.46 -0.07 -0.97 2.37 4.15 -1.13 -0.74 115.11 118.26 1c21 h GLN 154 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.48 1c21 h GLN 154 Cb 0.40 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.04 1c21 h GLN 154 CO -0.00 -0.05 0.62 0.87 -1.93 0.00 0.00 178.83 178.34 1c21 h LYS 155 N -0.08 1.07 0.42 1.69 6.56 -1.05 -0.27 116.57 124.91 1c21 h LYS 155 Ca 0.13 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1c21 h LYS 155 Cb 0.27 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1c21 h LYS 155 CO -0.30 0.71 -0.20 0.35 -2.06 0.00 0.00 179.45 177.95 1c21 h PHE 156 N 1.10 -0.52 -0.30 -1.35 3.57 -0.36 -1.82 116.94 117.26 1c21 h PHE 156 Ca 0.43 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.96 1c21 h PHE 156 Cb 0.21 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1c21 h PHE 156 CO -0.01 -0.23 0.06 0.28 -2.23 0.00 0.00 178.31 176.18 1c21 h VAL 157 N -0.76 0.85 -0.63 1.41 2.07 -0.98 -2.58 116.25 115.64 1c21 h VAL 157 Ca -0.06 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1c21 h VAL 157 Cb 0.53 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1c21 h VAL 157 CO 0.09 0.03 0.18 -0.33 0.02 0.00 0.00 177.57 177.56 1c21 h GLU 158 N 0.17 0.97 0.00 1.57 5.08 -1.05 -1.87 114.58 119.45 1c21 h GLU 158 Ca 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1c21 h GLU 158 Cb 0.15 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1c21 h GLU 158 CO -0.19 0.84 -0.03 0.00 -1.00 0.00 0.00 179.01 178.63 1c21 h ALA 159 N 1.26 1.27 -0.33 3.43 0.00 -0.95 -0.78 119.26 123.16 1c21 h ALA 159 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1c21 h ALA 159 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1c21 h ALA 159 CO -0.00 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1c21 n GLU 160 N -3.52 2.04 -0.67 0.00 -0.58 -0.72 -4.94 120.64 112.25 1c21 n GLU 160 Ca -0.02 -1.59 0.00 0.00 -0.42 0.00 0.00 57.16 55.12 1c21 n GLU 160 Cb 0.13 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1c21 n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c21 n GLY 161 N 1.26 0.68 3.93 0.62 0.00 -0.30 -5.06 105.19 106.32 1c21 n GLY 161 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1c21 n GLY 161 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c21 s PHE 162 N -2.15 1.47 0.16 1.61 0.08 -1.10 -4.88 117.98 113.16 1c21 s PHE 162 Ca 0.00 -0.86 0.06 0.00 0.12 0.00 0.00 56.93 56.25 1c21 s PHE 162 Cb 0.00 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1c21 s PHE 162 CO 0.00 -0.62 -0.13 -1.54 -0.10 0.00 0.00 175.22 172.83 1c21 s SER 163 N -4.36 2.16 -0.14 1.36 1.04 -0.44 -3.98 113.70 109.34 1c21 s SER 163 Ca 0.36 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 1c21 s SER 163 Cb -0.03 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 1c21 s SER 163 CO 0.23 -0.21 0.00 0.54 0.98 0.00 0.00 173.24 174.78 1c21 s VAL 164 N -2.85 4.27 0.10 5.02 0.11 -1.26 -1.28 120.40 124.50 1c21 s VAL 164 Ca 0.17 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.67 1c21 s VAL 164 Cb -0.01 -2.86 -0.07 0.00 -1.53 0.00 0.00 36.38 31.91 1c21 s VAL 164 CO 0.04 0.52 1.34 -0.69 -3.33 0.00 0.00 175.10 172.98 1c21 s VAL 165 N -0.07 3.50 -0.02 2.04 1.01 -0.50 -4.85 120.40 121.51 1c21 s VAL 165 Ca 0.04 1.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 1c21 s VAL 165 Cb -0.13 -3.69 -0.32 0.00 0.00 0.00 0.00 36.38 32.24 1c21 s VAL 165 CO 0.02 0.08 0.77 0.03 0.00 0.00 0.00 175.10 176.00 1c21 h ARG 166 N 6.84 0.45 0.00 2.72 2.47 -1.91 -3.40 114.38 121.55 1c21 h ARG 166 Ca -0.42 -0.76 -0.03 0.00 -1.26 0.00 0.00 59.98 57.51 1c21 h ARG 166 Cb 1.21 0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1c21 h ARG 166 CO 0.85 1.36 -0.14 0.93 0.56 0.00 0.00 179.97 183.54 1c21 h GLU 167 N 0.11 0.00 -6.54 0.04 3.07 -1.95 -3.44 114.58 105.88 1c21 h GLU 167 Ca -0.32 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 57.87 1c21 h GLU 167 Cb 2.12 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 29.86 1c21 h GLU 167 CO 0.21 0.14 -0.75 0.71 -1.40 0.00 0.00 179.01 177.92 1c21 s TYR 168 N -4.57 2.73 0.24 4.33 2.02 -1.26 -5.11 117.35 115.73 1c21 s TYR 168 Ca -0.04 -0.16 -0.08 0.00 -0.37 0.00 0.00 57.07 56.42 1c21 s TYR 168 Cb 0.15 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1c21 s TYR 168 CO 0.65 0.40 0.36 0.00 -1.57 0.00 0.00 175.55 175.39 1c21 s GLY 170 N -3.09 1.58 0.12 0.00 0.00 0.49 -4.78 107.32 101.65 1c21 s GLY 170 Ca 0.29 -0.55 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 1c21 s GLY 170 CO 0.11 0.05 0.52 -2.38 0.00 0.00 0.00 173.10 171.40 1c21 s HIS 171 N -3.21 -0.40 0.86 1.90 -3.43 -1.22 0.05 115.29 109.84 1c21 s HIS 171 Ca 0.65 0.21 -0.11 0.00 -0.80 0.00 0.00 55.06 55.02 1c21 s HIS 171 Cb -0.15 0.41 0.11 0.00 -1.43 0.00 0.00 32.58 31.52 1c21 s HIS 171 CO 0.54 -0.75 1.10 0.20 -2.00 0.00 0.00 174.74 173.83 1c21 s GLY 172 N -2.60 1.66 -0.03 -1.38 0.00 0.99 -1.40 107.32 104.55 1c21 s GLY 172 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.70 1c21 s GLY 172 CO -0.10 0.67 0.58 -1.50 0.00 0.00 0.00 173.10 172.75 1c21 s ILE 173 N -2.82 0.02 0.00 0.90 2.07 -1.07 0.09 121.20 120.38 1c21 s ILE 173 Ca 0.63 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1c21 s ILE 173 Cb -0.19 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.49 1c21 s ILE 173 CO 0.57 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 1c21 n GLY 174 N 0.95 -0.86 0.16 1.50 0.00 -1.26 -4.65 105.19 101.03 1c21 n GLY 174 Ca -0.20 0.67 0.02 0.00 0.00 0.00 0.00 46.02 46.51 1c21 n GLY 174 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1c21 h GLN 175 N 0.00 0.00 -6.01 1.61 4.20 -1.95 -0.46 115.11 112.50 1c21 h GLN 175 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 1c21 h GLN 175 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1c21 h GLN 175 CO 0.00 0.51 -0.43 0.20 -0.67 0.00 0.00 178.83 178.44 1c21 s GLY 176 N -4.42 2.20 -0.04 3.46 0.00 -1.26 -4.80 107.32 102.47 1c21 s GLY 176 Ca -0.01 -0.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 1c21 s GLY 176 CO 0.73 -0.69 1.04 -2.75 0.00 0.00 0.00 173.10 171.43 1c21 h PHE 177 N 2.97 -0.15 -3.59 1.90 3.04 -1.89 -3.41 116.94 115.80 1c21 h PHE 177 Ca -0.45 -0.00 -0.65 0.00 3.98 0.00 0.00 57.97 60.84 1c21 h PHE 177 Cb 1.16 0.05 -0.40 0.00 2.56 0.00 0.00 35.95 39.32 1c21 h PHE 177 CO 0.61 0.32 -0.69 -1.01 -2.02 0.00 0.00 178.31 175.52 1c21 s HIS 178 N -3.79 3.57 0.53 0.41 3.76 -1.26 -4.49 115.29 114.03 1c21 s HIS 178 Ca -0.14 -3.06 0.07 0.00 -0.15 0.00 0.00 55.06 51.78 1c21 s HIS 178 Cb 0.01 -2.90 0.04 0.00 1.11 0.00 0.00 32.58 30.85 1c21 s HIS 178 CO 0.56 -0.88 0.52 -1.21 -0.85 0.00 0.00 174.74 172.88 1c21 s GLU 179 N 0.50 2.32 0.48 1.40 2.02 0.11 -4.91 118.70 120.63 1c21 s GLU 179 Ca 0.13 -1.82 -0.21 0.00 0.02 0.00 0.00 54.97 53.09 1c21 s GLU 179 Cb -0.21 -2.32 -0.08 0.00 0.10 0.00 0.00 34.13 31.62 1c21 s GLU 179 CO -0.05 -0.63 1.07 -1.21 0.02 0.00 0.00 175.26 174.46 1c21 s GLU 180 N -4.38 3.76 0.59 1.61 2.02 -1.26 -0.01 118.70 121.02 1c21 s GLU 180 Ca 0.45 1.48 0.08 0.00 0.02 0.00 0.00 54.97 57.00 1c21 s GLU 180 Cb -0.04 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 32.10 1c21 s GLU 180 CO 0.28 -0.49 0.66 -1.25 0.02 0.00 0.00 175.26 174.48 1c21 s PRO 181 N -3.08 2.22 -0.02 0.39 0.04 -1.26 -3.75 135.00 129.55 1c21 s PRO 181 Ca 0.67 -1.86 -0.30 0.00 0.04 0.00 0.00 61.00 59.54 1c21 s PRO 181 Cb -0.20 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1c21 s PRO 181 CO 0.24 -0.85 0.98 -0.65 0.04 0.00 0.00 177.00 176.76 1c21 s GLN 182 N -4.55 4.53 -0.45 4.56 -0.21 -1.26 -1.62 119.66 120.65 1c21 s GLN 182 Ca 0.50 1.41 -0.09 0.00 0.02 0.00 0.00 55.36 57.20 1c21 s GLN 182 Cb -0.04 -3.48 0.10 0.00 1.00 0.00 0.00 33.01 30.60 1c21 s GLN 182 CO 0.32 -0.10 0.31 0.08 -2.12 0.00 0.00 175.29 173.77 1c21 s VAL 183 N 1.21 4.17 0.27 1.09 1.01 0.11 -4.93 120.40 123.33 1c21 s VAL 183 Ca 0.51 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1c21 s VAL 183 Cb -0.20 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1c21 s VAL 183 CO 0.26 -0.67 1.07 -0.76 0.00 0.00 0.00 175.10 175.00 1c21 s LEU 184 N 1.38 4.57 -0.21 3.92 1.02 -1.26 -0.38 118.68 127.72 1c21 s LEU 184 Ca 0.05 2.21 0.11 0.00 0.02 0.00 0.00 54.13 56.51 1c21 s LEU 184 Cb -0.25 -3.62 0.66 0.00 0.02 0.00 0.00 46.19 43.00 1c21 s LEU 184 CO 0.00 -0.09 1.54 1.41 0.02 0.00 0.00 176.35 179.23 1c21 n HIS 185 N 1.26 1.78 -4.07 0.29 8.25 -1.26 -3.92 115.22 117.54 1c21 n HIS 185 Ca -0.01 -0.68 -0.10 0.00 -0.26 0.00 0.00 57.72 56.67 1c21 n HIS 185 Cb 0.45 -0.47 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 1c21 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1c21 s TYR 186 N -2.46 0.63 0.00 4.41 -0.85 -1.21 -3.74 117.35 114.13 1c21 s TYR 186 Ca 0.45 -0.94 -0.30 0.00 -0.52 0.00 0.00 57.07 55.75 1c21 s TYR 186 Cb 0.34 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.58 1c21 s TYR 186 CO 0.13 -0.88 1.25 0.34 -1.52 0.00 0.00 175.55 174.87 1c21 s ASP 187 N -3.07 7.01 -0.14 -0.18 -1.08 -1.25 -3.99 116.67 113.98 1c21 s ASP 187 Ca 0.28 1.96 -0.08 0.00 -0.52 0.00 0.00 52.55 54.20 1c21 s ASP 187 Cb 0.02 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 38.96 1c21 s ASP 187 CO 0.10 -0.58 0.33 -0.55 0.52 0.00 0.00 175.17 174.99 1c21 s SER 188 N 1.42 -0.39 0.20 -0.34 0.15 -1.26 -4.97 113.70 108.51 1c21 s SER 188 Ca 0.59 0.70 0.21 0.00 0.70 0.00 0.00 55.95 58.15 1c21 s SER 188 Cb -0.28 0.60 0.89 0.00 -1.71 0.00 0.00 66.02 65.52 1c21 s SER 188 CO 0.26 -0.17 1.64 0.54 1.20 0.00 0.00 173.24 176.70 1c21 n ARG 189 N 4.14 0.15 0.23 5.44 1.74 -1.26 -1.95 116.66 125.15 1c21 n ARG 189 Ca -0.23 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.36 1c21 n ARG 189 Cb 0.54 -1.78 0.43 0.00 -1.02 0.00 0.00 32.46 30.63 1c21 n ARG 189 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1c21 h GLU 190 N 0.00 0.00 -6.07 5.56 5.08 -2.00 -3.44 114.58 113.71 1c21 h GLU 190 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1c21 h GLU 190 Cb 0.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1c21 h GLU 190 CO 0.00 0.13 0.68 0.99 -1.00 0.00 0.00 179.01 179.81 1c21 s THR 191 N -3.50 4.74 -0.44 1.13 2.01 -0.82 -4.99 115.64 113.77 1c21 s THR 191 Ca 0.02 1.94 0.05 0.00 0.31 0.00 0.00 61.69 64.02 1c21 s THR 191 Cb 0.08 -4.27 0.17 0.00 0.01 0.00 0.00 72.50 68.50 1c21 s THR 191 CO 0.62 -0.11 0.52 0.21 -0.69 0.00 0.00 174.62 175.17 1c21 s ASN 192 N 1.19 0.04 -0.06 3.53 3.04 -1.26 -4.59 114.94 116.83 1c21 s ASN 192 Ca 0.43 -2.04 -0.01 0.00 0.04 0.00 0.00 52.86 51.28 1c21 s ASN 192 Cb -0.16 0.87 0.03 0.00 -1.54 0.00 0.00 41.25 40.45 1c21 s ASN 192 CO 0.09 -0.15 0.01 -0.69 -3.04 0.00 0.00 177.10 173.33 1c21 s VAL 193 N 0.83 0.24 -0.13 -5.21 1.01 -1.26 -5.02 120.40 110.85 1c21 s VAL 193 Ca 0.27 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1c21 s VAL 193 Cb -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1c21 s VAL 193 CO -0.09 0.23 0.39 -0.69 0.00 0.00 0.00 175.10 174.94 1c21 s VAL 194 N 1.87 5.23 0.44 2.92 1.01 -1.26 -0.16 120.40 130.44 1c21 s VAL 194 Ca 0.03 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 1c21 s VAL 194 Cb -0.12 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1c21 s VAL 194 CO -0.04 0.38 1.02 -0.76 0.00 0.00 0.00 175.10 175.69 1c21 s LEU 195 N 0.40 3.97 0.00 3.92 1.02 0.20 -4.88 118.68 123.31 1c21 s LEU 195 Ca 0.22 1.90 -0.06 0.00 0.02 0.00 0.00 54.13 56.21 1c21 s LEU 195 Cb -0.14 -4.42 -0.00 0.00 0.02 0.00 0.00 46.19 41.64 1c21 s LEU 195 CO 0.08 -0.57 0.12 -1.59 0.02 0.00 0.00 176.35 174.41 1c21 s LYS 196 N -2.95 0.44 0.46 1.70 -2.85 -1.26 -0.92 119.74 114.36 1c21 s LYS 196 Ca 0.63 -0.38 -0.24 0.00 -1.00 0.00 0.00 55.97 54.97 1c21 s LYS 196 Cb -0.16 0.18 -0.08 0.00 -2.06 0.00 0.00 37.83 35.70 1c21 s LYS 196 CO 0.21 -0.10 1.30 -2.30 0.10 0.00 0.00 175.35 174.55 1c21 n PRO 197 N 1.58 1.89 -0.12 1.78 -0.02 -1.26 -2.35 135.00 136.49 1c21 n PRO 197 Ca -0.22 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1c21 n PRO 197 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1c21 n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c21 n GLY 198 N 0.79 0.90 3.78 -1.23 0.00 0.18 -4.87 105.19 104.74 1c21 n GLY 198 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1c21 n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c21 s MET 199 N -0.66 4.58 -0.07 1.61 -1.94 -0.99 -1.04 119.30 120.80 1c21 s MET 199 Ca 0.00 1.28 0.02 0.00 -1.71 0.00 0.00 55.69 55.29 1c21 s MET 199 Cb 0.00 -2.91 0.01 0.00 2.01 0.00 0.00 34.83 33.94 1c21 s MET 199 CO 0.00 0.35 -0.13 0.95 -0.01 0.00 0.00 175.02 176.17 1c21 s THR 200 N -1.51 1.22 0.30 2.05 -4.23 -1.26 -0.83 115.64 111.37 1c21 s THR 200 Ca 0.47 -0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 60.29 1c21 s THR 200 Cb -0.20 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.56 1c21 s THR 200 CO 0.25 0.37 0.66 0.72 -0.54 0.00 0.00 174.62 176.08 1c21 s PHE 201 N 0.63 0.09 0.20 3.99 -0.71 -0.91 -2.59 117.98 118.67 1c21 s PHE 201 Ca -0.15 -0.56 0.07 0.00 -1.04 0.00 0.00 56.93 55.26 1c21 s PHE 201 Cb -0.16 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1c21 s PHE 201 CO 0.04 -1.25 0.05 0.95 -1.34 0.00 0.00 175.22 173.67 1c21 s THR 202 N -3.53 3.91 -0.09 -4.49 -4.23 -0.50 -0.67 115.64 106.04 1c21 s THR 202 Ca 0.16 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1c21 s THR 202 Cb -0.04 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.79 1c21 s THR 202 CO 0.09 -0.20 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.19 1c21 s ILE 203 N -1.92 1.48 -0.45 2.99 1.01 -0.99 -3.40 121.20 119.92 1c21 s ILE 203 Ca 0.30 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1c21 s ILE 203 Cb -0.09 -1.33 0.30 0.00 0.01 0.00 0.00 42.46 41.35 1c21 s ILE 203 CO 0.21 0.43 0.95 -1.84 0.00 0.00 0.00 174.94 174.69 1c21 n GLU 204 N 3.99 0.92 -1.77 2.79 0.28 -1.26 -2.39 120.64 123.20 1c21 n GLU 204 Ca -0.20 -2.20 -0.42 0.00 -0.16 0.00 0.00 57.16 54.18 1c21 n GLU 204 Cb 0.52 -1.27 -0.02 0.00 1.43 0.00 0.00 31.44 32.10 1c21 n GLU 204 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1c21 s PRO 205 N -0.15 4.12 -0.22 3.44 0.04 -1.23 -4.77 135.00 136.24 1c21 s PRO 205 Ca 0.28 2.58 -0.06 0.00 0.04 0.00 0.00 61.00 63.84 1c21 s PRO 205 Cb 0.27 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1c21 s PRO 205 CO -0.11 -0.64 0.03 -1.64 0.04 0.00 0.00 177.00 174.67 1c21 s MET 206 N -0.31 3.63 -0.05 4.56 -1.94 -1.26 -3.44 119.30 120.49 1c21 s MET 206 Ca 0.65 -0.50 0.07 0.00 -1.71 0.00 0.00 55.69 54.19 1c21 s MET 206 Cb -0.48 -3.17 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 1c21 s MET 206 CO 0.46 -0.07 -0.25 0.08 -0.01 0.00 0.00 175.02 175.23 1c21 s VAL 207 N 1.24 2.11 -0.07 -6.03 1.01 0.21 -1.42 120.40 117.45 1c21 s VAL 207 Ca 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1c21 s VAL 207 Cb -0.15 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1c21 s VAL 207 CO 0.02 0.57 -0.00 0.20 0.00 0.00 0.00 175.10 175.89 1c21 s ASN 208 N -0.32 5.20 0.34 3.32 0.01 -0.40 -0.10 114.94 122.97 1c21 s ASN 208 Ca 0.01 0.11 0.08 0.00 -0.71 0.00 0.00 52.86 52.35 1c21 s ASN 208 Cb -0.12 -1.44 0.60 0.00 0.41 0.00 0.00 41.25 40.70 1c21 s ASN 208 CO 0.02 0.36 1.80 0.00 -1.51 0.00 0.00 177.10 177.77 1c21 h ALA 209 N 4.99 1.29 -3.00 0.60 0.00 -1.01 -1.16 119.26 120.97 1c21 h ALA 209 Ca -0.50 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1c21 h ALA 209 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1c21 h ALA 209 CO 0.55 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.69 1c21 n GLY 210 N -0.52 0.55 3.88 0.00 0.00 -1.26 -4.69 105.19 103.14 1c21 n GLY 210 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1c21 n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c21 s LYS 211 N 3.96 3.68 0.46 1.61 3.01 -1.26 -3.83 119.74 127.36 1c21 s LYS 211 Ca 0.00 0.51 0.25 0.00 -1.01 0.00 0.00 55.97 55.72 1c21 s LYS 211 Cb 0.00 -2.28 1.03 0.00 -1.01 0.00 0.00 37.83 35.58 1c21 s LYS 211 CO 0.00 -0.26 1.88 1.57 0.51 0.00 0.00 175.35 179.05 1c21 h LYS 212 N 0.47 0.00 -6.74 1.68 2.10 -1.91 -3.46 116.57 108.72 1c21 h LYS 212 Ca -0.46 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.63 1c21 h LYS 212 Cb 1.19 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.62 1c21 h LYS 212 CO 0.62 0.21 0.67 0.39 -2.00 0.00 0.00 179.45 179.34 1c21 n GLU 213 N -3.44 2.33 -4.37 0.07 4.71 -1.26 -4.69 120.64 113.99 1c21 n GLU 213 Ca -0.00 0.82 -0.19 0.00 -0.01 0.00 0.00 57.16 57.78 1c21 n GLU 213 Cb 0.39 -2.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.22 1c21 n GLU 213 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1c21 s ILE 214 N -0.53 1.40 -0.05 -3.67 -4.36 -1.26 -0.54 121.20 112.18 1c21 s ILE 214 Ca 0.61 -2.09 -0.03 0.00 -0.26 0.00 0.00 60.65 58.87 1c21 s ILE 214 Cb -0.56 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 40.85 1c21 s ILE 214 CO 0.55 -0.37 0.12 -0.13 0.24 0.00 0.00 174.94 175.36 1c21 s ARG 215 N -3.77 0.10 -0.04 0.37 3.00 0.66 -4.69 118.95 114.57 1c21 s ARG 215 Ca 0.27 0.26 -0.26 0.00 0.00 0.00 0.00 55.73 56.01 1c21 s ARG 215 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 34.95 34.89 1c21 s ARG 215 CO 0.09 -0.09 0.80 0.99 0.00 0.00 0.00 175.30 177.09 1c21 s THR 216 N 0.63 4.99 0.86 0.02 2.01 -1.26 -0.42 115.64 122.47 1c21 s THR 216 Ca -0.05 1.65 -0.12 0.00 0.31 0.00 0.00 61.69 63.49 1c21 s THR 216 Cb -0.06 -4.13 0.11 0.00 0.01 0.00 0.00 72.50 68.42 1c21 s THR 216 CO -0.03 0.22 1.11 -0.04 -0.69 0.00 0.00 174.62 175.20 1c21 s MET 217 N 0.88 1.53 0.37 4.92 -1.94 0.13 -4.92 119.30 120.27 1c21 s MET 217 Ca 0.42 0.48 0.27 0.00 -1.71 0.00 0.00 55.69 55.16 1c21 s MET 217 Cb -0.19 -1.87 1.27 0.00 2.01 0.00 0.00 34.83 36.05 1c21 s MET 217 CO 0.21 -1.97 1.82 1.57 -0.01 0.00 0.00 175.02 176.64 1c21 h LYS 218 N -1.34 0.00 0.00 2.03 -0.00 -1.97 -1.62 116.57 113.68 1c21 h LYS 218 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1c21 h LYS 218 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 1c21 h LYS 218 CO 0.60 0.00 0.00 0.38 -0.00 0.00 0.00 179.45 180.43 1c21 h ASP 219 N 0.00 0.00 0.00 7.07 3.04 -1.92 -3.46 116.42 121.15 1c21 h ASP 219 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1c21 h ASP 219 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1c21 h ASP 219 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1c21 n GLY 220 N 0.22 0.84 1.27 7.15 0.00 -0.61 -4.83 105.19 109.24 1c21 n GLY 220 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1c21 n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c21 n TRP 221 N -2.10 -0.45 -1.66 1.61 7.02 -1.26 -4.97 117.44 115.64 1c21 n TRP 221 Ca 0.00 0.08 -0.46 0.00 -1.02 0.00 0.00 57.50 56.10 1c21 n TRP 221 Cb 0.00 0.14 -0.04 0.00 -2.42 0.00 0.00 31.31 28.99 1c21 n TRP 221 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1c21 n THR 222 N -3.30 0.37 -5.15 -0.99 -1.04 -1.26 -4.69 114.28 98.22 1c21 n THR 222 Ca 0.00 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.05 61.60 1c21 n THR 222 Cb 0.12 -1.44 -0.16 0.00 -1.82 0.00 0.00 70.33 67.03 1c21 n THR 222 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1c21 s VAL 223 N 0.49 2.27 0.19 12.58 1.01 -1.00 0.18 120.40 136.12 1c21 s VAL 223 Ca 0.75 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1c21 s VAL 223 Cb -0.69 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1c21 s VAL 223 CO 0.43 0.56 -0.13 -0.54 0.00 0.00 0.00 175.10 175.42 1c21 s LYS 224 N 0.10 1.28 0.43 2.72 1.02 0.44 0.63 119.74 126.35 1c21 s LYS 224 Ca -0.10 -1.57 -0.24 0.00 0.02 0.00 0.00 55.97 54.08 1c21 s LYS 224 Cb -0.16 -1.01 -0.08 0.00 -0.52 0.00 0.00 37.83 36.07 1c21 s LYS 224 CO 0.06 0.15 1.15 0.95 -0.92 0.00 0.00 175.35 176.75 1c21 s THR 225 N -3.06 3.20 0.25 2.17 -4.23 -0.93 -0.25 115.64 112.79 1c21 s THR 225 Ca 0.21 0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 61.65 1c21 s THR 225 Cb 0.00 -3.50 0.07 0.00 1.34 0.00 0.00 72.50 70.41 1c21 s THR 225 CO 0.06 0.03 1.70 0.07 -0.54 0.00 0.00 174.62 175.93 1c21 h LYS 226 N 2.33 0.68 -0.43 3.99 -0.00 -1.10 -2.90 116.57 119.15 1c21 h LYS 226 Ca -0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 60.65 59.92 1c21 h LYS 226 Cb 1.24 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1c21 h LYS 226 CO 0.61 0.81 0.00 -0.40 -0.00 0.00 0.00 179.45 180.48 1c21 n ASP 227 N -4.15 2.48 -1.00 7.07 5.68 -1.26 -4.92 116.55 120.46 1c21 n ASP 227 Ca 0.01 -1.96 -0.13 0.00 -0.50 0.00 0.00 54.79 52.20 1c21 n ASP 227 Cb 0.39 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 40.02 1c21 n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1c21 n ARG 228 N 0.86 -1.27 -1.54 0.11 3.00 -1.09 -4.99 116.66 111.73 1c21 n ARG 228 Ca 0.16 0.94 -0.30 0.00 -0.01 0.00 0.00 57.85 58.64 1c21 n ARG 228 Cb 0.40 -5.15 0.10 0.00 0.00 0.00 0.00 32.46 27.81 1c21 n ARG 228 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1c21 s SER 229 N -2.63 4.35 0.54 0.55 1.04 -1.26 -4.76 113.70 111.52 1c21 s SER 229 Ca 0.00 1.28 -0.19 0.00 0.48 0.00 0.00 55.95 57.52 1c21 s SER 229 Cb 0.00 -1.99 -0.06 0.00 0.10 0.00 0.00 66.02 64.07 1c21 s SER 229 CO 0.00 -2.06 1.10 -0.76 0.98 0.00 0.00 173.24 172.50 1c21 s LEU 230 N -5.82 3.72 -0.01 2.42 1.43 -1.26 -4.21 118.68 114.95 1c21 s LEU 230 Ca 0.61 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.82 1c21 s LEU 230 Cb -0.15 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.50 1c21 s LEU 230 CO 0.54 -1.15 -0.09 -0.55 0.23 0.00 0.00 176.35 175.33 1c21 s SER 231 N -1.97 1.07 0.12 2.29 0.15 -0.80 -0.36 113.70 114.21 1c21 s SER 231 Ca 0.70 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.24 1c21 s SER 231 Cb -0.21 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 1c21 s SER 231 CO 0.27 0.10 -0.13 0.00 1.20 0.00 0.00 173.24 174.68 1c21 s ALA 232 N -0.09 1.38 -0.08 5.45 0.00 0.85 -4.71 121.76 124.56 1c21 s ALA 232 Ca 0.02 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1c21 s ALA 232 Cb -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1c21 s ALA 232 CO -0.00 0.05 0.47 -1.14 0.00 0.00 0.00 175.76 175.14 1c21 s GLN 233 N -2.75 0.74 0.04 0.00 0.74 -1.26 0.64 119.66 117.80 1c21 s GLN 233 Ca 0.08 0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.72 1c21 s GLN 233 Cb -0.04 0.34 -0.02 0.00 1.10 0.00 0.00 33.01 34.39 1c21 s GLN 233 CO 0.02 -0.18 -0.05 0.71 -0.55 0.00 0.00 175.29 175.23 1c21 s TYR 234 N -0.76 0.49 -0.04 1.67 2.02 -1.22 -4.07 117.35 115.44 1c21 s TYR 234 Ca -0.08 -0.56 -0.07 0.00 -0.37 0.00 0.00 57.07 55.99 1c21 s TYR 234 Cb -0.03 -0.31 0.01 0.00 -0.40 0.00 0.00 41.96 41.23 1c21 s TYR 234 CO 0.05 -0.15 0.18 -2.00 -1.57 0.00 0.00 175.55 172.06 1c21 s GLU 235 N -1.74 0.34 0.03 -0.62 2.12 -0.82 -3.55 118.70 114.45 1c21 s GLU 235 Ca -0.11 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1c21 s GLU 235 Cb -0.08 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1c21 s GLU 235 CO -0.01 -0.07 -0.04 -1.01 -0.54 0.00 0.00 175.26 173.60 1c21 s HIS 236 N -0.49 0.34 -0.18 5.30 3.76 -1.00 -2.60 115.29 120.42 1c21 s HIS 236 Ca -0.06 -0.56 -0.09 0.00 -0.15 0.00 0.00 55.06 54.20 1c21 s HIS 236 Cb -0.04 -0.24 -0.05 0.00 1.11 0.00 0.00 32.58 33.37 1c21 s HIS 236 CO 0.01 -0.19 0.11 0.99 -0.85 0.00 0.00 174.74 174.82 1c21 s THR 237 N -1.62 5.26 0.24 1.30 2.01 -1.23 -2.35 115.64 119.26 1c21 s THR 237 Ca -0.13 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1c21 s THR 237 Cb -0.09 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1c21 s THR 237 CO -0.01 0.48 0.07 0.27 -0.69 0.00 0.00 174.62 174.73 1c21 s ILE 238 N 0.08 0.65 -0.04 1.82 -4.36 0.15 -1.02 121.20 118.48 1c21 s ILE 238 Ca 0.08 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 1c21 s ILE 238 Cb -0.11 -2.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.08 1c21 s ILE 238 CO -0.00 -0.13 -0.17 0.54 0.24 0.00 0.00 174.94 175.42 1c21 s VAL 239 N -3.69 1.39 0.01 8.37 0.11 -0.62 -2.15 120.40 123.83 1c21 s VAL 239 Ca 0.34 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 58.40 1c21 s VAL 239 Cb 0.07 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 1c21 s VAL 239 CO 0.11 0.40 1.01 -0.69 -3.33 0.00 0.00 175.10 172.60 1c21 s VAL 240 N 0.05 4.75 0.38 2.04 1.01 -0.01 -1.51 120.40 127.10 1c21 s VAL 240 Ca -0.04 1.99 0.04 0.00 0.00 0.00 0.00 61.98 63.97 1c21 s VAL 240 Cb -0.11 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1c21 s VAL 240 CO 0.02 0.16 0.36 0.35 0.00 0.00 0.00 175.10 176.00 1c21 n THR 241 N 3.83 0.00 -0.10 3.92 -2.24 -0.30 -0.65 114.28 118.75 1c21 n THR 241 Ca 0.06 -1.42 0.04 0.00 -2.27 0.00 0.00 64.05 60.47 1c21 n THR 241 Cb 0.50 -0.34 0.37 0.00 -2.10 0.00 0.00 70.33 68.76 1c21 n THR 241 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1c21 h ASP 242 N 0.32 0.60 0.00 3.42 3.45 -1.97 -3.24 116.42 119.00 1c21 h ASP 242 Ca -0.22 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.21 1c21 h ASP 242 Cb 0.85 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.44 1c21 h ASP 242 CO 0.33 0.42 -0.41 -0.46 -1.57 0.00 0.00 179.24 177.56 1c21 n ASN 243 N -4.46 0.90 0.00 6.45 6.94 -1.26 -4.69 115.26 119.14 1c21 n ASN 243 Ca 0.07 -2.43 0.00 0.00 -0.02 0.00 0.00 54.58 52.19 1c21 n ASN 243 Cb 0.11 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1c21 n ASN 243 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1c21 n GLY 244 N -0.44 -0.50 3.51 4.83 0.00 -1.22 -1.01 105.19 110.34 1c21 n GLY 244 Ca 0.06 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1c21 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c21 s GLU 246 N -3.90 1.51 -0.40 0.00 2.12 -0.57 -1.37 118.70 116.09 1c21 s GLU 246 Ca 0.11 -0.44 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 1c21 s GLU 246 Cb -0.00 -1.30 0.01 0.00 0.26 0.00 0.00 34.13 33.09 1c21 s GLU 246 CO -0.01 0.12 0.60 0.42 -0.54 0.00 0.00 175.26 175.85 1c21 s ILE 247 N 0.33 4.89 0.18 -3.70 1.01 -0.07 -1.59 121.20 122.27 1c21 s ILE 247 Ca -0.08 0.25 0.14 0.00 0.00 0.00 0.00 60.65 60.96 1c21 s ILE 247 Cb -0.12 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1c21 s ILE 247 CO 0.02 -0.44 1.61 -0.07 0.00 0.00 0.00 174.94 176.06 1c21 h LEU 248 N 9.46 0.00 -3.62 2.97 3.38 -1.40 -3.28 115.31 122.81 1c21 h LEU 248 Ca -0.26 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.38 1c21 h LEU 248 Cb 1.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.66 1c21 h LEU 248 CO 0.85 0.55 0.22 0.35 0.09 0.00 0.00 178.44 180.50 1c21 n THR 249 N -3.60 2.83 -1.97 0.22 -2.24 -1.23 -3.41 114.28 104.88 1c21 n THR 249 Ca -0.00 -2.44 -0.40 0.00 -2.27 0.00 0.00 64.05 58.94 1c21 n THR 249 Cb 0.62 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1c21 n THR 249 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1c21 s LEU 250 N -3.28 4.31 0.41 3.22 2.96 -1.24 -4.70 118.68 120.37 1c21 s LEU 250 Ca 0.50 2.83 0.07 0.00 -0.22 0.00 0.00 54.13 57.31 1c21 s LEU 250 Cb 0.44 -3.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.33 1c21 s LEU 250 CO 0.04 -0.78 0.14 -0.13 -1.32 0.00 0.00 176.35 174.30 1c21 s ARG 251 N -2.05 2.17 0.41 1.98 0.52 -1.26 -4.91 118.95 115.80 1c21 s ARG 251 Ca 0.53 -1.91 0.10 0.00 -0.52 0.00 0.00 55.73 53.93 1c21 s ARG 251 Cb -0.42 -1.90 0.91 0.00 0.52 0.00 0.00 34.95 34.06 1c21 s ARG 251 CO 0.56 -0.11 1.98 0.87 0.02 0.00 0.00 175.30 178.62 1c21 h LYS 252 N 1.50 0.53 -0.00 3.54 6.56 -1.95 -2.21 116.57 124.53 1c21 h LYS 252 Ca -0.43 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1c21 h LYS 252 Cb 1.25 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1c21 h LYS 252 CO 0.72 0.35 -0.20 -0.40 -2.06 0.00 0.00 179.45 177.86 1c21 n ASP 253 N -4.48 0.49 -4.77 0.86 5.75 -1.26 -4.88 116.55 108.26 1c21 n ASP 253 Ca 0.09 -0.37 -0.38 0.00 -0.01 0.00 0.00 54.79 54.12 1c21 n ASP 253 Cb 0.29 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1c21 n ASP 253 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1c21 s ASP 254 N -2.68 6.14 -0.22 -1.12 1.01 -0.83 -4.92 116.67 114.04 1c21 s ASP 254 Ca 0.22 2.42 0.13 0.00 0.71 0.00 0.00 52.55 56.03 1c21 s ASP 254 Cb 0.19 -2.61 0.47 0.00 1.01 0.00 0.00 42.92 41.97 1c21 s ASP 254 CO 0.54 -0.95 1.37 0.35 0.21 0.00 0.00 175.17 176.70 1c21 n THR 255 N -0.37 2.32 -4.70 -1.27 -2.24 -1.26 -4.93 114.28 101.82 1c21 n THR 255 Ca 0.07 -2.44 -0.29 0.00 -2.27 0.00 0.00 64.05 59.11 1c21 n THR 255 Cb 0.47 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.28 1c21 n THR 255 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1c21 s ILE 256 N -3.05 2.17 0.61 2.28 2.07 -1.26 -5.11 121.20 118.90 1c21 s ILE 256 Ca 0.41 -1.53 -0.16 0.00 -1.41 0.00 0.00 60.65 57.96 1c21 s ILE 256 Cb 0.36 -1.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.04 1c21 s ILE 256 CO 0.03 0.25 1.09 -2.84 -1.91 0.00 0.00 174.94 171.56 1c21 s PRO 257 N -1.55 3.12 0.28 3.50 0.02 -1.26 -4.94 135.00 134.17 1c21 s PRO 257 Ca 0.12 1.38 0.05 0.00 0.02 0.00 0.00 61.00 62.57 1c21 s PRO 257 Cb -0.10 -1.99 0.39 0.00 0.02 0.00 0.00 34.50 32.82 1c21 s PRO 257 CO 0.04 -0.99 1.66 0.00 -0.33 0.00 0.00 177.00 177.38 1c21 h ALA 258 N 0.47 1.03 -3.17 -1.55 0.00 -1.96 -3.42 119.26 110.67 1c21 h ALA 258 Ca -0.48 -0.44 -0.66 0.00 0.00 0.00 0.00 54.91 53.33 1c21 h ALA 258 Cb 1.24 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 1c21 h ALA 258 CO 0.56 0.63 -0.79 0.42 0.00 0.00 0.00 179.25 180.07 1c21 s ILE 259 N -4.06 2.81 -0.20 0.00 -1.09 -1.26 -0.89 121.20 116.51 1c21 s ILE 259 Ca -0.05 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 57.63 1c21 s ILE 259 Cb 0.13 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.80 1c21 s ILE 259 CO 0.78 0.50 -0.06 -0.63 -1.23 0.00 0.00 174.94 174.30 1c21 s ILE 260 N 0.89 3.34 0.00 2.92 1.01 -0.47 -5.02 121.20 123.88 1c21 s ILE 260 Ca -0.03 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1c21 s ILE 260 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1c21 s ILE 260 CO -0.01 0.45 -0.17 -0.94 0.00 0.00 0.00 174.94 174.27 1c21 s SER 261 N 1.19 3.84 -0.06 3.58 1.04 -1.26 -2.30 113.70 119.72 1c21 s SER 261 Ca 0.02 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1c21 s SER 261 Cb -0.14 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 1c21 s SER 261 CO -0.01 0.29 -0.13 -1.00 0.98 0.00 0.00 173.24 173.37 1c21 s HIS 262 N -0.84 2.76 0.00 5.02 3.76 -0.18 -5.01 115.29 120.80 1c21 s HIS 262 Ca 0.13 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 1c21 s HIS 262 Cb -0.11 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1c21 s HIS 262 CO 0.03 0.17 0.00 -0.25 -0.85 0.00 0.00 174.74 173.84