#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c22 s ILE 3 N 0.00 4.87 0.21 0.00 1.01 -1.26 -4.58 121.20 121.45 1c22 s ILE 3 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 1c22 s ILE 3 Cb 0.00 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 1c22 s ILE 3 CO 0.00 -0.08 0.92 -0.94 0.00 0.00 0.00 174.94 174.84 1c22 s SER 4 N 1.43 7.58 -0.21 3.58 1.04 -1.26 -5.05 113.70 120.81 1c22 s SER 4 Ca 0.32 1.88 -0.07 0.00 0.48 0.00 0.00 55.95 58.56 1c22 s SER 4 Cb -0.15 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 1c22 s SER 4 CO 0.09 0.12 0.05 -0.63 0.98 0.00 0.00 173.24 173.85 1c22 s ILE 5 N -0.95 4.40 0.34 -1.02 -1.09 -1.26 -4.62 121.20 117.00 1c22 s ILE 5 Ca 0.41 -0.16 -0.25 0.00 -2.23 0.00 0.00 60.65 58.42 1c22 s ILE 5 Cb -0.25 -3.01 -0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1c22 s ILE 5 CO 0.31 0.40 0.96 -0.54 -1.23 0.00 0.00 174.94 174.84 1c22 s LYS 6 N 0.99 4.51 0.74 2.79 3.01 -0.07 -5.01 119.74 126.71 1c22 s LYS 6 Ca 0.03 1.32 -0.07 0.00 -1.01 0.00 0.00 55.97 56.25 1c22 s LYS 6 Cb -0.14 -2.71 0.09 0.00 -1.01 0.00 0.00 37.83 34.06 1c22 s LYS 6 CO 0.03 0.21 1.05 0.95 0.51 0.00 0.00 175.35 178.10 1c22 s THR 7 N -1.68 2.22 0.37 2.17 -4.23 -1.26 -4.77 115.64 108.46 1c22 s THR 7 Ca 0.52 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1c22 s THR 7 Cb -0.18 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1c22 s THR 7 CO 0.23 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 175.63 1c22 h PRO 8 N -0.73 0.59 -0.37 3.99 0.11 -1.99 0.64 132.00 134.25 1c22 h PRO 8 Ca -0.43 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 1c22 h PRO 8 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c22 h PRO 8 CO 0.55 0.48 -0.34 0.93 -0.21 0.00 0.00 178.00 179.41 1c22 h GLU 9 N 0.59 0.88 -0.60 1.05 3.07 -2.00 -1.95 114.58 115.63 1c22 h GLU 9 Ca 0.15 -0.46 0.01 0.00 -0.50 0.00 0.00 59.36 58.56 1c22 h GLU 9 Cb 0.09 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1c22 h GLU 9 CO -0.02 1.10 0.40 -0.44 -1.40 0.00 0.00 179.01 178.65 1c22 h ASP 10 N 0.69 0.69 -0.61 1.42 3.32 -1.64 -2.33 116.42 117.96 1c22 h ASP 10 Ca 0.06 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1c22 h ASP 10 Cb 0.93 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1c22 h ASP 10 CO 0.09 0.50 0.37 0.40 -1.72 0.00 0.00 179.24 178.87 1c22 h ILE 11 N 0.81 1.18 -0.69 0.35 2.04 -0.70 -1.75 117.51 118.76 1c22 h ILE 11 Ca 0.22 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1c22 h ILE 11 Cb -0.09 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 1c22 h ILE 11 CO -0.05 0.19 0.42 -0.33 0.00 0.00 0.00 178.15 178.38 1c22 h GLU 12 N 0.86 0.92 -0.03 2.37 4.39 -0.80 -1.48 114.58 120.82 1c22 h GLU 12 Ca 0.22 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 1c22 h GLU 12 Cb -0.02 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1c22 h GLU 12 CO -0.04 0.65 -0.48 0.87 -1.16 0.00 0.00 179.01 178.84 1c22 h LYS 13 N 0.93 0.07 -0.21 2.33 1.57 -1.24 -2.86 116.57 117.16 1c22 h LYS 13 Ca 0.25 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1c22 h LYS 13 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1c22 h LYS 13 CO -0.05 0.54 -0.43 0.52 -0.57 0.00 0.00 179.45 179.46 1c22 h MET 14 N 0.05 0.52 -0.96 3.15 2.86 -0.64 -1.96 114.93 117.95 1c22 h MET 14 Ca -0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1c22 h MET 14 Cb 0.88 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 1c22 h MET 14 CO 0.07 0.86 0.61 0.00 1.06 0.00 0.00 176.91 179.51 1c22 h ARG 15 N 0.43 1.29 -0.04 1.72 3.08 -1.13 0.30 114.38 120.03 1c22 h ARG 15 Ca 0.03 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1c22 h ARG 15 Cb 0.93 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1c22 h ARG 15 CO 0.08 0.87 -0.02 0.28 -1.07 0.00 0.00 179.97 180.12 1c22 h VAL 16 N 1.32 1.32 -0.68 2.04 2.07 -1.26 -1.79 116.25 119.28 1c22 h VAL 16 Ca 0.35 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1c22 h VAL 16 Cb -0.11 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1c22 h VAL 16 CO -0.07 0.27 0.37 0.00 0.02 0.00 0.00 177.57 178.16 1c22 h ALA 17 N 0.61 1.38 -0.52 1.67 0.00 -1.19 -1.47 119.26 119.75 1c22 h ALA 17 Ca 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1c22 h ALA 17 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1c22 h ALA 17 CO 0.01 0.51 -0.16 0.78 0.00 0.00 0.00 179.25 180.39 1c22 h GLY 18 N 0.99 1.10 1.09 0.00 0.00 -0.36 -2.03 103.07 103.86 1c22 h GLY 18 Ca 0.24 -0.92 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1c22 h GLY 18 CO -0.04 0.84 -0.12 -0.09 0.00 0.00 0.00 176.54 177.14 1c22 h ARG 19 N 0.89 1.01 -0.28 4.80 9.65 -0.87 -1.91 114.38 127.67 1c22 h ARG 19 Ca 0.13 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1c22 h ARG 19 Cb 0.73 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1c22 h ARG 19 CO 0.06 1.06 0.18 -0.07 2.80 0.00 0.00 179.97 184.00 1c22 h LEU 20 N 0.88 0.30 -0.52 3.80 3.38 -1.16 0.42 115.31 122.41 1c22 h LEU 20 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1c22 h LEU 20 Cb 0.68 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1c22 h LEU 20 CO 0.05 0.22 0.32 0.00 0.09 0.00 0.00 178.44 179.12 1c22 h ALA 21 N 1.11 0.66 -0.90 1.53 0.00 -1.23 -2.18 119.26 118.24 1c22 h ALA 21 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1c22 h ALA 21 Cb -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1c22 h ALA 21 CO -0.03 0.13 0.49 0.00 0.00 0.00 0.00 179.25 179.85 1c22 h ALA 22 N 1.16 1.17 -0.13 0.00 0.00 -1.05 -2.61 119.26 117.80 1c22 h ALA 22 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1c22 h ALA 22 Cb -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1c22 h ALA 22 CO -0.04 0.67 -0.10 1.49 0.00 0.00 0.00 179.25 181.27 1c22 h GLU 23 N 1.27 0.20 -0.80 0.00 4.81 -0.31 -1.32 114.58 118.43 1c22 h GLU 23 Ca 0.32 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1c22 h GLU 23 Cb 0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1c22 h GLU 23 CO -0.05 0.31 0.38 0.28 -0.73 0.00 0.00 179.01 179.20 1c22 h VAL 24 N 0.19 1.25 -0.28 0.32 2.07 -1.04 -0.11 116.25 118.65 1c22 h VAL 24 Ca 0.04 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 1c22 h VAL 24 Cb 0.31 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1c22 h VAL 24 CO 0.02 0.30 -0.30 -0.07 0.02 0.00 0.00 177.57 177.54 1c22 h LEU 25 N 1.14 0.60 -0.37 2.57 3.38 -1.36 -1.92 115.31 119.35 1c22 h LEU 25 Ca 0.27 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1c22 h LEU 25 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1c22 h LEU 25 CO -0.03 0.87 -0.39 -0.33 0.09 0.00 0.00 178.44 178.65 1c22 h GLU 26 N 0.51 0.92 -0.67 1.13 5.08 -0.75 -3.25 114.58 117.55 1c22 h GLU 26 Ca 0.06 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1c22 h GLU 26 Cb 0.77 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1c22 h GLU 26 CO 0.06 1.14 0.16 1.98 -1.00 0.00 0.00 179.01 181.35 1c22 h MET 27 N 0.74 1.07 0.00 2.33 4.05 -0.83 -3.21 114.93 119.08 1c22 h MET 27 Ca 0.06 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 1c22 h MET 27 Cb 0.98 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1c22 h MET 27 CO 0.10 0.95 -0.13 0.97 0.23 0.00 0.00 176.91 179.03 1c22 h ILE 28 N 1.02 0.26 -0.94 1.77 6.09 -1.38 -3.38 117.51 120.95 1c22 h ILE 28 Ca 0.21 -1.05 0.14 0.00 -1.37 0.00 0.00 64.86 62.80 1c22 h ILE 28 Cb 0.37 1.85 -0.15 0.00 0.47 0.00 0.00 36.82 39.36 1c22 h ILE 28 CO 0.00 0.12 -0.39 -0.08 -3.07 0.00 0.00 178.15 174.74 1c22 h GLU 29 N 0.00 -0.03 0.00 2.19 4.81 -1.62 0.18 114.58 120.11 1c22 h GLU 29 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1c22 h GLU 29 Cb 0.84 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1c22 h GLU 29 CO 0.02 -0.02 0.00 -1.00 -0.73 0.00 0.00 179.01 177.28 1c22 h PRO 30 N -0.03 0.00 0.00 0.92 0.13 -1.84 -1.64 132.00 129.55 1c22 h PRO 30 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1c22 h PRO 30 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1c22 h PRO 30 CO -0.94 0.00 -0.27 0.66 -0.23 0.00 0.00 178.00 177.22 1c22 n TYR 31 N -3.06 0.03 -2.67 1.56 4.02 0.61 -4.70 117.16 112.95 1c22 n TYR 31 Ca -0.03 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 1c22 n TYR 31 Cb 0.09 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 38.99 1c22 n TYR 31 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1c22 s VAL 32 N -3.01 4.13 0.18 -0.72 1.01 -0.62 -4.87 120.40 116.50 1c22 s VAL 32 Ca 0.12 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1c22 s VAL 32 Cb 0.18 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.60 1c22 s VAL 32 CO 0.62 -1.78 0.28 -1.59 0.00 0.00 0.00 175.10 172.63 1c22 s LYS 33 N 4.42 1.20 0.30 2.72 -2.85 -1.26 -4.74 119.74 119.53 1c22 s LYS 33 Ca 0.39 -1.24 -0.29 0.00 -1.00 0.00 0.00 55.97 53.83 1c22 s LYS 33 Cb -0.04 0.37 -0.13 0.00 -2.06 0.00 0.00 37.83 35.98 1c22 s LYS 33 CO -0.05 -0.44 1.38 -2.30 0.10 0.00 0.00 175.35 174.04 1c22 n PRO 34 N -0.23 2.20 -0.08 1.78 -0.02 -1.26 -2.25 135.00 135.13 1c22 n PRO 34 Ca -0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1c22 n PRO 34 Cb 0.63 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1c22 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c22 n GLY 35 N 1.44 1.06 3.82 -1.23 0.00 0.79 -4.98 105.19 106.09 1c22 n GLY 35 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1c22 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c22 s VAL 36 N -2.47 4.55 0.29 1.61 1.01 -0.95 -4.77 120.40 119.67 1c22 s VAL 36 Ca 0.00 1.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 1c22 s VAL 36 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1c22 s VAL 36 CO 0.00 0.06 0.52 -0.94 0.00 0.00 0.00 175.10 174.74 1c22 s SER 37 N -1.85 6.37 0.41 3.32 1.04 -1.26 -0.98 113.70 120.76 1c22 s SER 37 Ca 0.48 0.54 0.19 0.00 0.48 0.00 0.00 55.95 57.64 1c22 s SER 37 Cb -0.15 -2.07 0.89 0.00 0.10 0.00 0.00 66.02 64.80 1c22 s SER 37 CO 0.20 -0.20 1.86 0.71 0.98 0.00 0.00 173.24 176.78 1c22 h THR 38 N 1.15 0.95 -0.72 2.02 1.35 -1.17 -2.54 112.91 113.96 1c22 h THR 38 Ca -0.48 -1.17 -0.05 0.00 -0.55 0.00 0.00 66.41 64.16 1c22 h THR 38 Cb 1.20 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 1c22 h THR 38 CO 0.65 0.30 0.27 1.23 -0.25 0.00 0.00 175.52 177.71 1c22 h GLY 39 N 1.39 1.17 1.05 5.82 0.00 -1.38 -1.31 103.07 109.80 1c22 h GLY 39 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1c22 h GLY 39 CO 0.04 0.62 0.08 0.83 0.00 0.00 0.00 176.54 178.11 1c22 h GLU 40 N 1.04 1.04 -0.69 4.80 5.08 -1.74 -1.83 114.58 122.28 1c22 h GLU 40 Ca 0.24 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1c22 h GLU 40 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1c22 h GLU 40 CO -0.02 0.98 0.45 -0.07 -1.00 0.00 0.00 179.01 179.35 1c22 h LEU 41 N 0.95 0.80 -0.67 1.33 3.38 -1.13 -1.36 115.31 118.61 1c22 h LEU 41 Ca 0.19 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1c22 h LEU 41 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1c22 h LEU 41 CO 0.02 0.59 0.45 -0.78 0.09 0.00 0.00 178.44 178.80 1c22 h ASP 42 N 0.94 0.77 -0.59 -0.43 3.58 -1.07 -0.81 116.42 118.80 1c22 h ASP 42 Ca 0.25 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 1c22 h ASP 42 Cb -0.09 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1c22 h ASP 42 CO -0.05 0.56 0.12 0.03 -2.88 0.00 0.00 179.24 177.01 1c22 h ARG 43 N 0.91 0.97 -0.61 0.28 3.08 -0.76 -0.56 114.38 117.68 1c22 h ARG 43 Ca 0.25 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1c22 h ARG 43 Cb -0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1c22 h ARG 43 CO -0.06 0.90 0.25 0.82 -1.07 0.00 0.00 179.97 180.81 1c22 h ILE 44 N 0.87 1.23 -0.14 2.04 2.04 -0.96 -1.17 117.51 121.42 1c22 h ILE 44 Ca 0.18 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1c22 h ILE 44 Cb 0.38 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1c22 h ILE 44 CO 0.01 0.28 0.07 0.00 0.00 0.00 0.00 178.15 178.51 1c22 h ASN 46 N 0.11 0.76 -0.65 0.00 -0.73 -0.93 -0.95 115.58 113.18 1c22 h ASN 46 Ca 0.05 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 1c22 h ASN 46 Cb 0.10 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 1c22 h ASN 46 CO -0.01 0.51 0.15 0.44 -0.37 0.00 0.00 177.43 178.15 1c22 h ASP 47 N 0.90 1.01 -0.01 1.15 3.32 -1.08 -1.44 116.42 120.27 1c22 h ASP 47 Ca 0.32 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1c22 h ASP 47 Cb 0.10 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1c22 h ASP 47 CO -0.14 0.98 0.00 0.22 -1.72 0.00 0.00 179.24 178.57 1c22 h TYR 48 N 1.01 0.01 -0.05 4.55 5.03 -0.79 0.21 116.97 126.94 1c22 h TYR 48 Ca 0.21 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.55 1c22 h TYR 48 Cb 0.37 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.60 1c22 h TYR 48 CO 0.03 0.21 -0.21 0.82 -1.32 0.00 0.00 178.16 177.68 1c22 h ILE 49 N -0.19 0.49 -0.01 1.81 2.04 -1.06 0.08 117.51 120.67 1c22 h ILE 49 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1c22 h ILE 49 Cb 0.20 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1c22 h ILE 49 CO -0.00 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.63 1c22 h VAL 50 N -0.31 1.57 0.11 1.67 2.07 -1.25 0.04 116.25 120.16 1c22 h VAL 50 Ca 0.07 -1.81 -0.29 0.00 0.82 0.00 0.00 66.70 65.49 1c22 h VAL 50 Cb 0.42 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1c22 h VAL 50 CO -0.23 0.48 -1.43 0.78 0.02 0.00 0.00 177.57 177.20 1c22 h ASN 51 N -0.63 0.37 0.00 0.57 2.35 -0.63 -3.12 115.58 114.50 1c22 h ASN 51 Ca -0.01 -0.48 -0.39 0.00 -0.55 0.00 0.00 56.30 54.87 1c22 h ASN 51 Cb 0.84 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 39.03 1c22 h ASN 51 CO 0.02 1.39 -2.25 -0.62 -1.65 0.00 0.00 177.43 174.32 1c22 n GLU 52 N -3.46 0.58 0.25 0.81 -0.58 -0.31 -4.49 120.64 113.44 1c22 n GLU 52 Ca -0.13 0.29 0.15 0.00 -0.42 0.00 0.00 57.16 57.05 1c22 n GLU 52 Cb 1.03 -1.51 0.46 0.00 -0.57 0.00 0.00 31.44 30.85 1c22 n GLU 52 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1c22 h GLN 53 N -1.00 0.00 -5.01 3.49 4.20 -1.01 -3.47 115.11 112.31 1c22 h GLN 53 Ca -0.59 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 57.71 1c22 h GLN 53 Cb 1.51 0.00 0.07 0.00 0.30 0.00 0.00 27.48 29.36 1c22 h GLN 53 CO -0.36 0.00 -0.63 0.72 -0.67 0.00 0.00 178.83 177.89 1c22 n HIS 54 N -3.09 -2.24 -3.17 2.96 8.25 -0.75 -4.98 115.22 112.21 1c22 n HIS 54 Ca 0.02 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.16 1c22 n HIS 54 Cb 0.41 -4.54 0.00 0.00 1.12 0.00 0.00 29.99 26.98 1c22 n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c22 n ALA 55 N -4.02 0.00 -3.01 -1.41 0.00 -0.07 -5.00 120.51 107.00 1c22 n ALA 55 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1c22 n ALA 55 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 1c22 n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1c22 s VAL 56 N 0.54 0.05 -0.02 0.00 1.01 -0.91 -4.11 120.40 116.95 1c22 s VAL 56 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1c22 s VAL 56 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1c22 s VAL 56 CO 0.00 -0.23 0.97 -0.55 0.00 0.00 0.00 175.10 175.29 1c22 s SER 57 N -0.71 7.33 0.37 3.32 0.15 -1.26 -0.03 113.70 122.86 1c22 s SER 57 Ca -0.08 1.61 0.27 0.00 0.70 0.00 0.00 55.95 58.45 1c22 s SER 57 Cb -0.05 -2.56 0.91 0.00 -1.71 0.00 0.00 66.02 62.61 1c22 s SER 57 CO 0.00 -0.28 1.78 0.00 1.20 0.00 0.00 173.24 175.94 1c22 h ALA 58 N 6.85 1.00 0.05 5.45 0.00 -1.36 -3.29 119.26 127.95 1c22 h ALA 58 Ca -0.39 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1c22 h ALA 58 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1c22 h ALA 58 CO 0.77 0.00 -1.04 0.00 0.00 0.00 0.00 179.25 178.97 1c22 s LEU 60 N -7.50 3.61 0.00 0.00 2.96 -1.16 -1.53 118.68 115.06 1c22 s LEU 60 Ca -0.05 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 1c22 s LEU 60 Cb 0.08 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1c22 s LEU 60 CO 0.87 -1.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.70 1c22 n GLY 61 N 5.55 1.54 3.61 7.98 0.00 0.14 -4.94 105.19 119.06 1c22 n GLY 61 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1c22 n GLY 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c22 s TYR 62 N -2.59 1.62 -1.96 1.61 5.04 -0.58 -1.13 117.35 119.35 1c22 s TYR 62 Ca 0.00 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1c22 s TYR 62 Cb 0.00 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.26 1c22 s TYR 62 CO 0.00 -3.58 0.00 0.72 -1.34 0.00 0.00 175.55 171.35 1c22 n HIS 63 N 10.02 -0.19 -0.49 4.97 8.25 -1.26 -1.08 115.22 135.44 1c22 n HIS 63 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1c22 n HIS 63 Cb 0.45 -3.27 0.00 0.00 1.12 0.00 0.00 29.99 28.29 1c22 n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c22 n GLY 64 N -0.40 0.75 3.69 -1.41 0.00 -0.29 -5.02 105.19 102.52 1c22 n GLY 64 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1c22 n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c22 n TYR 65 N -2.31 2.53 0.71 1.61 9.36 -0.24 -4.70 117.16 124.12 1c22 n TYR 65 Ca 0.00 0.12 0.13 0.00 3.32 0.00 0.00 57.90 61.47 1c22 n TYR 65 Cb 0.00 -2.62 0.34 0.00 -0.63 0.00 0.00 39.34 36.43 1c22 n TYR 65 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1c22 n PRO 66 N 3.93 0.20 -3.85 2.98 -0.04 -1.26 0.23 135.00 137.20 1c22 n PRO 66 Ca 0.17 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.52 1c22 n PRO 66 Cb 0.32 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 1c22 n PRO 66 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1c22 n LYS 67 N -2.00 1.08 0.01 0.54 4.76 -1.26 -4.86 118.16 116.42 1c22 n LYS 67 Ca 0.05 -2.57 -0.02 0.00 -2.87 0.00 0.00 58.31 52.90 1c22 n LYS 67 Cb 0.41 0.78 -0.10 0.00 -1.84 0.00 0.00 35.03 34.28 1c22 n LYS 67 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1c22 n SER 68 N -1.28 0.82 -4.20 4.39 7.64 -1.26 -3.00 113.62 116.73 1c22 n SER 68 Ca -0.13 0.37 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 1c22 n SER 68 Cb 0.45 0.16 -0.10 0.00 -1.01 0.00 0.00 64.21 63.71 1c22 n SER 68 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1c22 s VAL 69 N -2.84 0.27 -0.16 0.44 -7.23 -1.26 -4.43 120.40 105.19 1c22 s VAL 69 Ca -0.04 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1c22 s VAL 69 Cb 0.08 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1c22 s VAL 69 CO 0.82 -0.32 0.00 0.00 -0.31 0.00 0.00 175.10 175.29 1c22 s ILE 71 N 0.31 1.48 -0.26 0.00 1.01 -0.21 -1.14 121.20 122.39 1c22 s ILE 71 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1c22 s ILE 71 Cb -0.13 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.76 1c22 s ILE 71 CO 0.02 0.10 -0.07 -0.44 0.00 0.00 0.00 174.94 174.55 1c22 s SER 72 N 1.46 4.42 -0.08 3.58 0.01 -0.26 -3.90 113.70 118.93 1c22 s SER 72 Ca -0.02 -1.15 -0.14 0.00 1.31 0.00 0.00 55.95 55.96 1c22 s SER 72 Cb -0.17 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 1c22 s SER 72 CO -0.08 -0.18 0.35 -0.63 0.41 0.00 0.00 173.24 173.12 1c22 s ILE 73 N 1.22 5.20 0.00 1.44 1.01 -1.26 -1.23 121.20 127.58 1c22 s ILE 73 Ca -0.04 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1c22 s ILE 73 Cb -0.18 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1c22 s ILE 73 CO -0.04 0.49 0.00 0.59 0.00 0.00 0.00 174.94 175.98 1c22 n ASN 74 N 2.64 0.00 0.00 3.58 3.02 -0.43 -0.79 115.26 123.28 1c22 n ASN 74 Ca -0.13 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.48 1c22 n ASN 74 Cb 0.52 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.96 1c22 n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1c22 n GLU 75 N 3.68 0.02 -2.43 3.52 0.00 -1.26 -2.23 120.64 121.94 1c22 n GLU 75 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 57.16 57.01 1c22 n GLU 75 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1c22 n GLU 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1c22 s VAL 76 N -2.96 4.23 -0.09 3.84 1.01 0.03 -2.08 120.40 124.38 1c22 s VAL 76 Ca 0.07 1.54 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 1c22 s VAL 76 Cb 0.08 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.24 1c22 s VAL 76 CO 0.22 -0.04 0.95 0.58 0.00 0.00 0.00 175.10 176.81 1c22 h VAL 77 N 5.14 1.60 -2.69 2.92 2.07 -0.26 -3.39 116.25 121.63 1c22 h VAL 77 Ca -0.32 -1.84 0.12 0.00 0.82 0.00 0.00 66.70 65.48 1c22 h VAL 77 Cb 1.15 2.84 -0.06 0.00 -1.52 0.00 0.00 31.29 33.69 1c22 h VAL 77 CO 0.91 0.47 0.35 0.00 0.02 0.00 0.00 177.57 179.32 1c22 n HIS 79 N -0.47 0.00 -1.70 0.00 8.25 -1.26 -2.22 115.22 117.82 1c22 n HIS 79 Ca -0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.97 1c22 n HIS 79 Cb 0.60 -2.82 -0.02 0.00 1.12 0.00 0.00 29.99 28.87 1c22 n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c22 n GLY 80 N -0.59 0.96 3.66 -1.41 0.00 -1.25 -4.16 105.19 102.40 1c22 n GLY 80 Ca -0.15 0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1c22 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c22 s ILE 81 N -0.05 5.12 0.46 -0.61 1.01 -1.26 -1.04 121.20 124.84 1c22 s ILE 81 Ca 0.67 0.89 -0.24 0.00 0.00 0.00 0.00 60.65 61.97 1c22 s ILE 81 Cb -0.60 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 1c22 s ILE 81 CO 0.49 0.19 1.20 -2.65 0.00 0.00 0.00 174.94 174.17 1c22 n PRO 82 N 4.78 1.66 -3.70 2.79 -0.02 -1.26 -4.91 135.00 134.33 1c22 n PRO 82 Ca -0.05 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1c22 n PRO 82 Cb 0.50 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1c22 n PRO 82 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1c22 s ASP 83 N -0.72 -0.53 0.61 2.55 -1.08 -1.26 -4.68 116.67 111.55 1c22 s ASP 83 Ca 0.65 1.02 0.40 0.00 -0.52 0.00 0.00 52.55 54.10 1c22 s ASP 83 Cb -0.49 1.02 1.97 0.00 -1.46 0.00 0.00 42.92 43.96 1c22 s ASP 83 CO 0.55 -0.18 2.20 0.44 0.52 0.00 0.00 175.17 178.70 1c22 h ASP 84 N 5.48 0.00 0.65 -0.34 3.32 -1.91 -0.60 116.42 123.02 1c22 h ASP 84 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1c22 h ASP 84 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1c22 h ASP 84 CO 0.19 0.00 -0.94 0.00 -1.72 0.00 0.00 179.24 176.77 1c22 n ALA 85 N -2.08 3.06 -2.77 3.45 0.00 -1.26 -4.80 120.51 116.11 1c22 n ALA 85 Ca -0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1c22 n ALA 85 Cb 0.17 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 1c22 n ALA 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1c22 s LYS 86 N -3.23 3.20 -0.02 0.00 2.47 -0.97 -5.03 119.74 116.15 1c22 s LYS 86 Ca 0.03 -0.66 -0.03 0.00 -1.56 0.00 0.00 55.97 53.76 1c22 s LYS 86 Cb 0.13 -4.13 -0.04 0.00 -1.46 0.00 0.00 37.83 32.33 1c22 s LYS 86 CO 0.78 -1.51 0.15 -0.51 0.16 0.00 0.00 175.35 174.42 1c22 s LEU 87 N 3.55 4.25 0.36 5.43 1.43 -1.26 -1.25 118.68 131.20 1c22 s LEU 87 Ca 0.23 0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 53.39 1c22 s LEU 87 Cb -0.16 -2.48 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 1c22 s LEU 87 CO 0.14 0.28 0.94 -0.76 0.23 0.00 0.00 176.35 177.18 1c22 s LEU 88 N -1.80 4.20 0.22 1.79 1.43 -0.15 -4.90 118.68 119.46 1c22 s LEU 88 Ca 0.25 1.78 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 1c22 s LEU 88 Cb -0.12 -4.20 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 1c22 s LEU 88 CO 0.16 -0.17 -0.11 -0.54 0.23 0.00 0.00 176.35 175.92 1c22 s LYS 89 N -2.45 1.35 0.32 1.70 3.01 -1.26 -0.15 119.74 122.25 1c22 s LYS 89 Ca 0.54 -1.62 -0.29 0.00 -1.01 0.00 0.00 55.97 53.59 1c22 s LYS 89 Cb -0.15 -1.05 -0.12 0.00 -1.01 0.00 0.00 37.83 35.50 1c22 s LYS 89 CO 0.20 0.13 1.40 -3.47 0.51 0.00 0.00 175.35 174.11 1c22 n ASP 90 N -0.41 3.11 0.00 2.83 2.03 -1.26 -1.73 116.55 121.12 1c22 n ASP 90 Ca -0.07 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1c22 n ASP 90 Cb 0.61 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1c22 n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c22 n GLY 91 N 1.26 2.13 3.76 0.27 0.00 0.12 -4.89 105.19 107.84 1c22 n GLY 91 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1c22 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c22 s ASP 92 N -2.24 5.38 -0.10 1.61 1.01 -0.70 -4.56 116.67 117.06 1c22 s ASP 92 Ca 0.00 2.36 0.01 0.00 0.71 0.00 0.00 52.55 55.63 1c22 s ASP 92 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1c22 s ASP 92 CO 0.00 -1.46 -0.12 0.27 0.21 0.00 0.00 175.17 174.07 1c22 s ILE 93 N -1.61 3.22 -0.01 0.77 -4.36 -1.26 -1.19 121.20 116.76 1c22 s ILE 93 Ca 0.75 -0.62 0.01 0.00 -0.26 0.00 0.00 60.65 60.52 1c22 s ILE 93 Cb -0.30 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.09 1c22 s ILE 93 CO 0.33 0.55 -0.01 0.54 0.24 0.00 0.00 174.94 176.58 1c22 s VAL 94 N -0.07 0.16 -0.15 8.37 0.11 0.20 -1.31 120.40 127.71 1c22 s VAL 94 Ca -0.02 -0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.92 1c22 s VAL 94 Cb -0.14 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1c22 s VAL 94 CO 0.04 0.08 0.17 0.21 -3.33 0.00 0.00 175.10 172.27 1c22 s ASN 95 N 0.36 6.34 -0.22 3.54 3.84 -0.36 0.32 114.94 128.76 1c22 s ASN 95 Ca -0.03 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.44 1c22 s ASN 95 Cb -0.06 -2.11 0.03 0.00 -0.55 0.00 0.00 41.25 38.56 1c22 s ASN 95 CO -0.01 0.26 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.80 1c22 s ILE 96 N -0.21 2.42 -0.22 -5.21 1.01 -0.77 -1.10 121.20 117.11 1c22 s ILE 96 Ca 0.13 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 1c22 s ILE 96 Cb -0.12 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1c22 s ILE 96 CO 0.02 0.30 -0.01 -0.62 0.00 0.00 0.00 174.94 174.63 1c22 s ASP 97 N 1.27 4.58 -0.03 3.58 -1.08 -0.29 -2.71 116.67 122.00 1c22 s ASP 97 Ca 0.01 -0.32 0.07 0.00 -0.52 0.00 0.00 52.55 51.79 1c22 s ASP 97 Cb -0.16 -1.80 -0.02 0.00 -1.46 0.00 0.00 42.92 39.49 1c22 s ASP 97 CO -0.08 -0.01 -0.23 -0.69 0.52 0.00 0.00 175.17 174.68 1c22 s VAL 98 N 1.43 2.27 -0.12 1.11 1.01 -0.17 -2.26 120.40 123.69 1c22 s VAL 98 Ca 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1c22 s VAL 98 Cb -0.15 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1c22 s VAL 98 CO -0.01 0.58 0.03 -0.89 0.00 0.00 0.00 175.10 174.82 1c22 s THR 99 N -0.61 0.29 0.11 3.92 2.01 -1.26 -1.31 115.64 118.79 1c22 s THR 99 Ca 0.10 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.10 1c22 s THR 99 Cb -0.10 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1c22 s THR 99 CO -0.00 0.04 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 1c22 s VAL 100 N 1.99 3.48 -0.13 3.82 1.01 -0.42 -0.98 120.40 129.17 1c22 s VAL 100 Ca 0.03 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1c22 s VAL 100 Cb -0.14 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1c22 s VAL 100 CO -0.06 0.08 -0.15 -0.63 0.00 0.00 0.00 175.10 174.33 1c22 s ILE 101 N -1.31 2.79 -0.04 2.22 1.01 0.96 -1.47 121.20 125.37 1c22 s ILE 101 Ca 0.23 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1c22 s ILE 101 Cb -0.11 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.23 1c22 s ILE 101 CO 0.15 0.53 0.03 -0.75 0.00 0.00 0.00 174.94 174.89 1c22 s LYS 102 N 0.45 0.15 -1.44 2.79 2.47 -0.45 -2.15 119.74 121.56 1c22 s LYS 102 Ca -0.11 0.20 -0.11 0.00 -1.56 0.00 0.00 55.97 54.39 1c22 s LYS 102 Cb -0.16 -0.50 0.07 0.00 -1.46 0.00 0.00 37.83 35.78 1c22 s LYS 102 CO 0.05 -0.22 0.69 -0.25 0.16 0.00 0.00 175.35 175.78 1c22 n ASP 103 N 4.63 -4.46 0.00 1.43 8.00 -1.26 -1.19 116.55 123.70 1c22 n ASP 103 Ca -0.17 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1c22 n ASP 103 Cb 0.50 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 1c22 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c22 n GLY 104 N -1.42 1.45 3.66 0.44 0.00 -1.26 -5.01 105.19 103.04 1c22 n GLY 104 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1c22 n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c22 s PHE 105 N -3.75 3.01 0.11 1.61 0.08 -0.33 -4.31 117.98 114.39 1c22 s PHE 105 Ca 0.00 0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.03 1c22 s PHE 105 Cb 0.00 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 1c22 s PHE 105 CO 0.00 0.44 0.35 -1.01 -0.10 0.00 0.00 175.22 174.90 1c22 s HIS 106 N -1.09 3.50 -0.11 0.36 3.76 -0.29 -1.35 115.29 120.08 1c22 s HIS 106 Ca 0.20 0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 55.67 1c22 s HIS 106 Cb -0.11 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.59 1c22 s HIS 106 CO 0.10 0.48 -0.07 0.20 -0.85 0.00 0.00 174.74 174.60 1c22 s GLY 107 N -2.26 0.78 -0.13 -2.22 0.00 -0.54 -4.68 107.32 98.26 1c22 s GLY 107 Ca 0.38 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.62 1c22 s GLY 107 CO 0.23 0.81 -0.15 -0.35 0.00 0.00 0.00 173.10 173.64 1c22 s ASP 108 N 1.68 2.60 0.09 1.64 3.68 -1.26 -1.30 116.67 123.80 1c22 s ASP 108 Ca 0.04 -0.47 -0.24 0.00 2.13 0.00 0.00 52.55 54.01 1c22 s ASP 108 Cb -0.13 -1.15 0.06 0.00 -1.45 0.00 0.00 42.92 40.26 1c22 s ASP 108 CO -0.07 -0.03 0.59 0.28 0.13 0.00 0.00 175.17 176.07 1c22 s THR 109 N 1.31 0.01 0.13 1.71 -1.32 -0.43 -3.46 115.64 113.60 1c22 s THR 109 Ca 0.01 -0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 60.27 1c22 s THR 109 Cb -0.14 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 1c22 s THR 109 CO -0.07 -0.04 0.36 -0.94 -2.21 0.00 0.00 174.62 171.72 1c22 s SER 110 N -2.24 -0.14 0.16 8.08 1.04 -1.01 -0.99 113.70 118.60 1c22 s SER 110 Ca -0.03 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 1c22 s SER 110 Cb -0.01 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1c22 s SER 110 CO -0.05 -0.86 0.42 -1.59 0.98 0.00 0.00 173.24 172.13 1c22 s LYS 111 N -3.84 1.21 0.03 4.02 -2.85 -1.10 -2.11 119.74 115.10 1c22 s LYS 111 Ca 0.06 -0.88 -0.08 0.00 -1.00 0.00 0.00 55.97 54.07 1c22 s LYS 111 Cb 0.02 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 1c22 s LYS 111 CO -0.09 -0.48 0.32 -1.64 0.10 0.00 0.00 175.35 173.55 1c22 s MET 112 N -3.87 3.65 0.02 1.78 -1.94 -1.26 -1.85 119.30 115.83 1c22 s MET 112 Ca 0.08 0.02 0.07 0.00 -1.71 0.00 0.00 55.69 54.16 1c22 s MET 112 Cb 0.01 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.77 1c22 s MET 112 CO -0.06 0.62 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.30 1c22 s PHE 113 N -1.32 1.92 -0.21 -0.03 0.40 0.15 -4.94 117.98 113.96 1c22 s PHE 113 Ca 0.29 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1c22 s PHE 113 Cb -0.14 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1c22 s PHE 113 CO 0.17 0.04 0.06 0.42 0.70 0.00 0.00 175.22 176.60 1c22 s ILE 114 N -0.66 4.54 -0.14 0.64 1.01 -1.26 -0.63 121.20 124.70 1c22 s ILE 114 Ca 0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.42 1c22 s ILE 114 Cb -0.09 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1c22 s ILE 114 CO 0.01 0.41 0.60 -0.69 0.00 0.00 0.00 174.94 175.26 1c22 s VAL 115 N 0.88 5.08 0.00 2.92 1.01 -0.33 -4.93 120.40 125.03 1c22 s VAL 115 Ca 0.03 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1c22 s VAL 115 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1c22 s VAL 115 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1c22 n GLY 116 N 3.48 2.94 3.67 4.51 0.00 -1.26 0.13 105.19 118.65 1c22 n GLY 116 Ca -0.03 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1c22 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c22 s LYS 117 N 0.00 4.32 0.71 1.61 0.00 -1.26 -4.71 119.74 120.41 1c22 s LYS 117 Ca 0.00 1.34 -0.12 0.00 0.00 0.00 0.00 55.97 57.19 1c22 s LYS 117 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 37.83 34.26 1c22 s LYS 117 CO 0.00 -0.49 1.09 -1.25 0.00 0.00 0.00 175.35 174.71 1c22 s PRO 118 N 2.67 2.59 0.29 1.78 0.04 -1.26 -2.14 135.00 138.96 1c22 s PRO 118 Ca 0.45 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1c22 s PRO 118 Cb -0.16 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1c22 s PRO 118 CO 0.11 -1.39 0.43 0.95 0.04 0.00 0.00 177.00 177.14 1c22 s THR 119 N -2.69 4.94 0.07 1.26 -4.23 -1.26 -4.93 115.64 108.80 1c22 s THR 119 Ca 0.63 -0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 60.06 1c22 s THR 119 Cb -0.18 -3.75 -0.11 0.00 1.34 0.00 0.00 72.50 69.79 1c22 s THR 119 CO 0.49 -0.34 1.56 0.40 -0.54 0.00 0.00 174.62 176.19 1c22 h ILE 120 N 1.00 1.20 -0.45 2.99 5.03 -1.99 -2.24 117.51 123.05 1c22 h ILE 120 Ca -0.50 -0.64 0.02 0.00 -0.12 0.00 0.00 64.86 63.62 1c22 h ILE 120 Cb 1.23 1.34 -0.03 0.00 -3.03 0.00 0.00 36.82 36.34 1c22 h ILE 120 CO 0.59 0.19 0.27 -0.03 -0.68 0.00 0.00 178.15 178.50 1c22 h MET 121 N 0.05 0.54 -0.26 2.37 4.05 -1.99 -1.22 114.93 118.46 1c22 h MET 121 Ca 0.05 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1c22 h MET 121 Cb 0.26 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1c22 h MET 121 CO 0.00 0.36 0.17 0.78 0.23 0.00 0.00 176.91 178.44 1c22 h GLY 122 N 0.55 0.37 0.94 1.39 0.00 -1.91 0.11 103.07 104.52 1c22 h GLY 122 Ca 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1c22 h GLY 122 CO -0.07 0.14 0.16 -2.09 0.00 0.00 0.00 176.54 174.68 1c22 h GLU 123 N 0.35 0.55 -0.27 4.80 4.81 -1.24 -1.80 114.58 121.77 1c22 h GLU 123 Ca 0.10 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1c22 h GLU 123 Cb -0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1c22 h GLU 123 CO -0.02 0.51 0.16 -0.09 -0.73 0.00 0.00 179.01 178.84 1c22 h ARG 124 N 0.46 0.36 -0.75 1.92 2.43 -1.02 -0.94 114.38 116.85 1c22 h ARG 124 Ca 0.13 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1c22 h ARG 124 Cb 0.15 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1c22 h ARG 124 CO -0.01 0.29 0.46 1.25 -1.51 0.00 0.00 179.97 180.44 1c22 h LEU 125 N 0.33 0.89 -0.43 3.80 5.85 -0.65 -1.42 115.31 123.68 1c22 h LEU 125 Ca 0.10 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1c22 h LEU 125 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1c22 h LEU 125 CO -0.02 0.68 0.10 0.00 -0.34 0.00 0.00 178.44 178.86 1c22 h ARG 127 N 0.56 0.22 -0.75 0.00 2.43 -0.77 -1.45 114.38 114.62 1c22 h ARG 127 Ca 0.13 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1c22 h ARG 127 Cb 0.33 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1c22 h ARG 127 CO 0.00 0.14 0.28 0.82 -1.51 0.00 0.00 179.97 179.71 1c22 h ILE 128 N 0.22 1.26 -0.39 1.20 1.08 -1.19 -0.77 117.51 118.92 1c22 h ILE 128 Ca 0.10 -0.83 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 1c22 h ILE 128 Cb 0.04 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1c22 h ILE 128 CO -0.08 0.33 0.14 0.74 -0.69 0.00 0.00 178.15 178.59 1c22 h THR 129 N 1.08 1.20 -0.62 -0.27 2.02 -1.10 0.62 112.91 115.85 1c22 h THR 129 Ca 0.25 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1c22 h THR 129 Cb 0.24 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1c22 h THR 129 CO -0.02 0.23 0.14 -0.61 0.37 0.00 0.00 175.52 175.64 1c22 h GLN 130 N 0.49 1.00 -0.75 6.66 4.15 -1.00 -2.17 115.11 123.49 1c22 h GLN 130 Ca 0.13 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1c22 h GLN 130 Cb 0.22 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 1c22 h GLN 130 CO -0.01 0.92 0.44 0.93 -1.93 0.00 0.00 178.83 179.17 1c22 h GLU 131 N 0.92 1.02 -0.16 1.69 5.08 -0.93 0.12 114.58 122.32 1c22 h GLU 131 Ca 0.19 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1c22 h GLU 131 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1c22 h GLU 131 CO 0.00 0.72 -0.14 0.66 -1.00 0.00 0.00 179.01 179.26 1c22 h SER 132 N 1.03 0.24 -0.17 1.42 4.64 -0.38 -0.94 113.55 119.39 1c22 h SER 132 Ca 0.27 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1c22 h SER 132 Cb -0.02 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1c22 h SER 132 CO -0.05 0.40 -0.32 0.25 -0.87 0.00 0.00 176.83 176.25 1c22 h LEU 133 N 0.24 0.58 -0.76 5.97 5.85 -0.60 -2.87 115.31 123.71 1c22 h LEU 133 Ca 0.05 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1c22 h LEU 133 Cb 0.39 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1c22 h LEU 133 CO 0.02 1.01 0.38 1.88 -0.34 0.00 0.00 178.44 181.40 1c22 h TYR 134 N 0.17 1.09 -0.47 1.25 -1.99 -0.70 -0.94 116.97 115.38 1c22 h TYR 134 Ca 0.01 -0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.76 1c22 h TYR 134 Cb 0.91 -0.34 -0.06 0.00 2.00 0.00 0.00 36.73 39.24 1c22 h TYR 134 CO 0.09 0.79 0.13 1.25 -0.00 0.00 0.00 178.16 180.42 1c22 h LEU 135 N 1.07 0.10 -0.67 3.88 6.46 -1.15 -1.60 115.31 123.40 1c22 h LEU 135 Ca 0.26 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1c22 h LEU 135 Cb 0.09 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1c22 h LEU 135 CO -0.04 0.09 0.44 0.00 -0.62 0.00 0.00 178.44 178.31 1c22 h ALA 136 N 1.33 0.84 -0.68 1.25 0.00 -1.24 -2.55 119.26 118.22 1c22 h ALA 136 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1c22 h ALA 136 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1c22 h ALA 136 CO -0.26 0.27 0.42 -0.07 0.00 0.00 0.00 179.25 179.62 1c22 h LEU 137 N 0.90 0.80 -1.30 0.00 3.38 -0.29 -1.72 115.31 117.09 1c22 h LEU 137 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1c22 h LEU 137 Cb -0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1c22 h LEU 137 CO -0.05 0.60 0.00 0.03 0.09 0.00 0.00 178.44 179.11 1c22 h ARG 138 N 0.93 0.00 0.00 1.13 3.08 -0.90 -2.81 114.38 115.81 1c22 h ARG 138 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1c22 h ARG 138 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1c22 h ARG 138 CO -0.05 0.00 -1.18 -1.33 -1.07 0.00 0.00 179.97 176.34 1c22 n MET 139 N -2.63 0.56 -1.72 0.04 2.81 -0.66 -4.94 117.12 110.58 1c22 n MET 139 Ca 0.01 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 1c22 n MET 139 Cb 0.22 -1.73 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 1c22 n MET 139 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c22 s VAL 140 N -3.36 2.93 -0.04 2.03 1.01 -1.06 -4.97 120.40 116.94 1c22 s VAL 140 Ca -0.01 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1c22 s VAL 140 Cb 0.11 -3.07 0.11 0.00 0.00 0.00 0.00 36.38 33.53 1c22 s VAL 140 CO 0.81 -0.01 0.95 -1.59 0.00 0.00 0.00 175.10 175.27 1c22 s LYS 141 N 3.86 0.73 0.45 2.72 -2.85 -1.26 -3.90 119.74 119.49 1c22 s LYS 141 Ca 0.85 -0.27 -0.25 0.00 -1.00 0.00 0.00 55.97 55.29 1c22 s LYS 141 Cb -0.43 0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 35.59 1c22 s LYS 141 CO 0.39 -0.32 1.42 -2.14 0.10 0.00 0.00 175.35 174.80 1c22 s PRO 142 N -2.99 3.68 0.00 1.78 0.02 -1.26 -2.78 135.00 133.45 1c22 s PRO 142 Ca 0.06 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1c22 s PRO 142 Cb -0.01 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.86 1c22 s PRO 142 CO -0.08 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 1c22 n GLY 143 N 0.59 2.73 3.85 0.52 0.00 0.01 -4.96 105.19 107.93 1c22 n GLY 143 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1c22 n GLY 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1c22 s ILE 144 N -2.23 4.60 -0.01 -0.61 2.07 -1.12 -4.68 121.20 119.21 1c22 s ILE 144 Ca 0.00 1.07 -0.21 0.00 -1.41 0.00 0.00 60.65 60.10 1c22 s ILE 144 Cb 0.00 -3.67 -0.05 0.00 0.13 0.00 0.00 42.46 38.87 1c22 s ILE 144 CO 0.00 -0.46 0.62 0.21 -1.91 0.00 0.00 174.94 173.40 1c22 s ASN 145 N -2.72 6.98 0.50 4.50 3.84 -1.26 -0.89 114.94 125.89 1c22 s ASN 145 Ca 0.57 1.17 0.24 0.00 0.21 0.00 0.00 52.86 55.05 1c22 s ASN 145 Cb -0.10 -2.37 1.33 0.00 -0.55 0.00 0.00 41.25 39.55 1c22 s ASN 145 CO 0.24 0.06 1.94 -0.07 -2.79 0.00 0.00 177.10 176.49 1c22 h LEU 146 N 5.83 0.11 -1.25 3.21 3.38 -1.19 -0.58 115.31 124.83 1c22 h LEU 146 Ca -0.44 0.01 0.12 0.00 0.09 0.00 0.00 57.88 57.66 1c22 h LEU 146 Cb 1.20 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1c22 h LEU 146 CO 0.71 0.05 0.57 -0.09 0.09 0.00 0.00 178.44 179.77 1c22 h ARG 147 N 0.12 0.75 -0.69 1.13 2.43 -1.82 -0.29 114.38 116.01 1c22 h ARG 147 Ca 0.34 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1c22 h ARG 147 Cb 1.18 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1c22 h ARG 147 CO -0.04 0.49 0.34 0.93 -1.51 0.00 0.00 179.97 180.18 1c22 h GLU 148 N 0.77 0.98 -0.28 0.20 5.08 -1.49 -1.22 114.58 118.61 1c22 h GLU 148 Ca 0.43 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1c22 h GLU 148 Cb 0.59 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1c22 h GLU 148 CO -0.20 0.75 -0.10 0.82 -1.00 0.00 0.00 179.01 179.29 1c22 h ILE 149 N 0.97 1.29 -0.65 3.13 2.04 -1.15 -1.38 117.51 121.76 1c22 h ILE 149 Ca 0.24 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1c22 h ILE 149 Cb 0.09 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1c22 h ILE 149 CO -0.03 0.37 0.32 1.23 0.00 0.00 0.00 178.15 180.03 1c22 h GLY 150 N 0.31 1.00 1.00 5.37 0.00 -1.18 -2.21 103.07 107.37 1c22 h GLY 150 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1c22 h GLY 150 CO 0.03 0.47 0.39 0.00 0.00 0.00 0.00 176.54 177.43 1c22 h ALA 151 N 1.14 0.89 -0.49 3.60 0.00 -1.12 -1.95 119.26 121.33 1c22 h ALA 151 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1c22 h ALA 151 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1c22 h ALA 151 CO -0.03 0.40 0.20 0.00 0.00 0.00 0.00 179.25 179.82 1c22 h ALA 152 N 1.20 0.64 0.14 0.00 0.00 -0.88 -1.01 119.26 119.34 1c22 h ALA 152 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1c22 h ALA 152 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1c22 h ALA 152 CO -0.04 0.25 -0.15 0.82 0.00 0.00 0.00 179.25 180.13 1c22 h ILE 153 N 0.66 0.66 -0.35 0.00 2.04 -1.22 -1.82 117.51 117.48 1c22 h ILE 153 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1c22 h ILE 153 Cb 0.19 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1c22 h ILE 153 CO -0.01 0.00 0.10 -0.61 0.00 0.00 0.00 178.15 177.63 1c22 h GLN 154 N -0.32 0.23 -0.78 2.37 4.15 -1.22 -1.08 115.11 118.47 1c22 h GLN 154 Ca 0.01 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.46 1c22 h GLN 154 Cb 0.31 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 1c22 h GLN 154 CO -0.05 0.15 0.48 0.87 -1.93 0.00 0.00 178.83 178.36 1c22 h LYS 155 N 0.24 0.88 0.30 1.69 6.56 -0.99 -1.29 116.57 123.96 1c22 h LYS 155 Ca 0.16 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.68 1c22 h LYS 155 Cb 0.15 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 1c22 h LYS 155 CO -0.18 0.58 -0.14 0.35 -2.06 0.00 0.00 179.45 178.00 1c22 h PHE 156 N 0.91 -0.37 -0.27 -1.35 3.57 -0.76 -1.73 116.94 116.93 1c22 h PHE 156 Ca 0.33 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1c22 h PHE 156 Cb 0.10 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1c22 h PHE 156 CO -0.04 -0.15 0.15 0.28 -2.23 0.00 0.00 178.31 176.32 1c22 h VAL 157 N -0.52 1.01 -0.19 1.41 2.07 -1.07 -2.57 116.25 116.39 1c22 h VAL 157 Ca -0.04 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1c22 h VAL 157 Cb 0.39 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1c22 h VAL 157 CO 0.07 0.06 -0.26 -0.33 0.02 0.00 0.00 177.57 177.13 1c22 h GLU 158 N 0.31 0.35 0.00 1.57 5.08 -1.26 -1.95 114.58 118.68 1c22 h GLU 158 Ca 0.11 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1c22 h GLU 158 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1c22 h GLU 158 CO -0.07 0.59 -0.06 0.00 -1.00 0.00 0.00 179.01 178.48 1c22 h ALA 159 N 1.42 1.12 -0.48 3.43 0.00 -0.93 -1.89 119.26 121.94 1c22 h ALA 159 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c22 h ALA 159 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1c22 h ALA 159 CO 0.04 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.75 1c22 n GLU 160 N -3.33 2.26 -0.89 0.00 -0.58 -0.77 -4.93 120.64 112.40 1c22 n GLU 160 Ca -0.01 -1.94 0.00 0.00 -0.42 0.00 0.00 57.16 54.79 1c22 n GLU 160 Cb 0.21 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1c22 n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c22 n GLY 161 N 1.38 0.51 3.90 0.62 0.00 -0.71 -5.05 105.19 105.84 1c22 n GLY 161 Ca 0.18 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1c22 n GLY 161 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c22 s PHE 162 N -2.00 1.55 0.15 1.61 0.08 -1.01 -4.89 117.98 113.46 1c22 s PHE 162 Ca 0.00 -0.87 0.06 0.00 0.12 0.00 0.00 56.93 56.23 1c22 s PHE 162 Cb 0.00 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1c22 s PHE 162 CO 0.00 -0.48 -0.12 -1.54 -0.10 0.00 0.00 175.22 172.98 1c22 s SER 163 N -4.28 1.99 -0.10 1.36 1.04 -0.58 -3.82 113.70 109.31 1c22 s SER 163 Ca 0.31 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 1c22 s SER 163 Cb -0.02 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1c22 s SER 163 CO 0.20 -0.23 -0.04 0.54 0.98 0.00 0.00 173.24 174.68 1c22 s VAL 164 N -2.80 3.91 0.08 5.02 0.11 -1.26 -1.06 120.40 124.40 1c22 s VAL 164 Ca 0.14 -0.38 -0.31 0.00 -2.93 0.00 0.00 61.98 58.50 1c22 s VAL 164 Cb -0.01 -2.65 -0.06 0.00 -1.53 0.00 0.00 36.38 32.13 1c22 s VAL 164 CO 0.03 0.56 1.24 -0.69 -3.33 0.00 0.00 175.10 172.91 1c22 s VAL 165 N -0.43 3.84 -0.02 2.04 1.01 -0.22 -4.85 120.40 121.78 1c22 s VAL 165 Ca 0.07 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1c22 s VAL 165 Cb -0.12 -3.85 -0.31 0.00 0.00 0.00 0.00 36.38 32.09 1c22 s VAL 165 CO 0.02 0.11 0.77 0.03 0.00 0.00 0.00 175.10 176.03 1c22 h ARG 166 N 6.75 0.41 0.00 2.72 2.47 -1.91 -3.40 114.38 121.42 1c22 h ARG 166 Ca -0.42 -0.69 -0.02 0.00 -1.26 0.00 0.00 59.98 57.59 1c22 h ARG 166 Cb 1.21 0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 1c22 h ARG 166 CO 0.82 1.32 -0.11 0.93 0.56 0.00 0.00 179.97 183.49 1c22 h GLU 167 N 0.11 0.00 -6.67 0.04 3.07 -1.95 -3.44 114.58 105.75 1c22 h GLU 167 Ca -0.31 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.87 1c22 h GLU 167 Cb 2.10 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 29.81 1c22 h GLU 167 CO 0.20 0.11 -0.80 0.71 -1.40 0.00 0.00 179.01 177.82 1c22 s TYR 168 N -4.62 2.54 0.28 4.33 2.02 -1.26 -5.11 117.35 115.52 1c22 s TYR 168 Ca -0.04 -0.26 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 1c22 s TYR 168 Cb 0.15 -1.39 -0.00 0.00 -0.40 0.00 0.00 41.96 40.32 1c22 s TYR 168 CO 0.64 0.33 0.46 0.00 -1.57 0.00 0.00 175.55 175.41 1c22 s GLY 170 N -3.11 1.62 0.16 0.00 0.00 0.58 -4.78 107.32 101.79 1c22 s GLY 170 Ca 0.26 -0.79 -0.22 0.00 0.00 0.00 0.00 44.72 43.98 1c22 s GLY 170 CO 0.13 -0.09 0.57 -2.38 0.00 0.00 0.00 173.10 171.33 1c22 s HIS 171 N -3.33 -0.48 0.84 1.90 -3.43 -1.23 -0.46 115.29 109.11 1c22 s HIS 171 Ca 0.68 0.25 -0.10 0.00 -0.80 0.00 0.00 55.06 55.08 1c22 s HIS 171 Cb -0.11 0.51 0.10 0.00 -1.43 0.00 0.00 32.58 31.65 1c22 s HIS 171 CO 0.54 -0.83 1.11 0.20 -2.00 0.00 0.00 174.74 173.76 1c22 s GLY 172 N -2.76 1.67 -0.05 -1.38 0.00 0.70 -1.16 107.32 104.34 1c22 s GLY 172 Ca 0.01 0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.82 1c22 s GLY 172 CO -0.13 0.74 0.56 -1.50 0.00 0.00 0.00 173.10 172.77 1c22 s ILE 173 N -2.81 0.02 0.00 0.90 2.07 -1.10 0.19 121.20 120.47 1c22 s ILE 173 Ca 0.63 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1c22 s ILE 173 Cb -0.19 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.52 1c22 s ILE 173 CO 0.57 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 174.13 1c22 n GLY 174 N 1.17 -0.66 0.18 1.50 0.00 -1.26 -4.67 105.19 101.45 1c22 n GLY 174 Ca -0.19 0.68 0.04 0.00 0.00 0.00 0.00 46.02 46.55 1c22 n GLY 174 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1c22 h GLN 175 N 0.00 0.00 -5.97 1.61 4.20 -1.95 -0.77 115.11 112.23 1c22 h GLN 175 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 1c22 h GLN 175 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1c22 h GLN 175 CO 0.00 0.40 -0.47 0.20 -0.67 0.00 0.00 178.83 178.29 1c22 s GLY 176 N -4.36 2.06 -0.06 3.46 0.00 -1.26 -4.81 107.32 102.36 1c22 s GLY 176 Ca -0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 43.61 1c22 s GLY 176 CO 0.70 -0.85 0.98 -2.75 0.00 0.00 0.00 173.10 171.18 1c22 h PHE 177 N 2.80 -0.10 -3.55 1.90 3.04 -1.89 -3.42 116.94 115.71 1c22 h PHE 177 Ca -0.46 -0.00 -0.66 0.00 3.98 0.00 0.00 57.97 60.83 1c22 h PHE 177 Cb 1.17 0.03 -0.40 0.00 2.56 0.00 0.00 35.95 39.31 1c22 h PHE 177 CO 0.59 0.44 -0.66 -1.01 -2.02 0.00 0.00 178.31 175.64 1c22 s HIS 178 N -3.48 3.52 0.52 0.41 3.76 -1.26 -4.48 115.29 114.27 1c22 s HIS 178 Ca -0.15 -3.03 0.07 0.00 -0.15 0.00 0.00 55.06 51.80 1c22 s HIS 178 Cb 0.00 -2.91 0.03 0.00 1.11 0.00 0.00 32.58 30.81 1c22 s HIS 178 CO 0.57 -0.87 0.47 -1.21 -0.85 0.00 0.00 174.74 172.86 1c22 s GLU 179 N 0.41 2.33 0.56 1.40 2.02 0.13 -4.91 118.70 120.65 1c22 s GLU 179 Ca 0.13 -1.82 -0.18 0.00 0.02 0.00 0.00 54.97 53.13 1c22 s GLU 179 Cb -0.22 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 1c22 s GLU 179 CO -0.05 -0.56 1.08 -1.21 0.02 0.00 0.00 175.26 174.54 1c22 s GLU 180 N -4.32 3.39 0.60 1.61 2.02 -1.26 -0.21 118.70 120.52 1c22 s GLU 180 Ca 0.43 1.37 0.09 0.00 0.02 0.00 0.00 54.97 56.88 1c22 s GLU 180 Cb -0.03 -2.03 0.10 0.00 0.10 0.00 0.00 34.13 32.27 1c22 s GLU 180 CO 0.26 -0.78 0.83 -1.25 0.02 0.00 0.00 175.26 174.34 1c22 s PRO 181 N -3.66 2.22 -0.05 0.39 0.04 -1.26 -3.70 135.00 128.99 1c22 s PRO 181 Ca 0.67 -1.67 -0.26 0.00 0.04 0.00 0.00 61.00 59.78 1c22 s PRO 181 Cb -0.19 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1c22 s PRO 181 CO 0.30 -0.95 0.83 -0.65 0.04 0.00 0.00 177.00 176.58 1c22 s GLN 182 N -4.72 4.48 -0.51 4.56 -0.21 -1.26 -1.50 119.66 120.49 1c22 s GLN 182 Ca 0.63 1.13 -0.07 0.00 0.02 0.00 0.00 55.36 57.07 1c22 s GLN 182 Cb -0.05 -3.46 0.13 0.00 1.00 0.00 0.00 33.01 30.63 1c22 s GLN 182 CO 0.40 -0.02 0.36 0.08 -2.12 0.00 0.00 175.29 173.99 1c22 s VAL 183 N 1.00 3.97 0.29 1.09 1.01 0.40 -4.94 120.40 123.21 1c22 s VAL 183 Ca 0.44 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 60.00 1c22 s VAL 183 Cb -0.19 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1c22 s VAL 183 CO 0.22 -0.79 1.17 -0.76 0.00 0.00 0.00 175.10 174.93 1c22 s LEU 184 N 0.95 4.51 -0.20 3.92 1.02 -1.26 -0.30 118.68 127.31 1c22 s LEU 184 Ca 0.09 2.38 0.09 0.00 0.02 0.00 0.00 54.13 56.71 1c22 s LEU 184 Cb -0.23 -3.63 0.57 0.00 0.02 0.00 0.00 46.19 42.92 1c22 s LEU 184 CO -0.03 -0.27 1.45 1.41 0.02 0.00 0.00 176.35 178.93 1c22 n HIS 185 N 1.20 1.64 -4.07 0.29 8.25 -1.26 -4.03 115.22 117.25 1c22 n HIS 185 Ca -0.00 -0.70 -0.10 0.00 -0.26 0.00 0.00 57.72 56.66 1c22 n HIS 185 Cb 0.44 -0.47 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 1c22 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1c22 s TYR 186 N -2.29 0.64 -0.03 4.41 -0.85 -1.20 -3.70 117.35 114.33 1c22 s TYR 186 Ca 0.40 -0.95 -0.30 0.00 -0.52 0.00 0.00 57.07 55.69 1c22 s TYR 186 Cb 0.31 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 1c22 s TYR 186 CO 0.11 -0.88 1.23 0.34 -1.52 0.00 0.00 175.55 174.82 1c22 s ASP 187 N -3.07 7.03 -0.14 -0.18 -1.08 -1.24 -3.96 116.67 114.03 1c22 s ASP 187 Ca 0.28 1.88 -0.07 0.00 -0.52 0.00 0.00 52.55 54.12 1c22 s ASP 187 Cb 0.02 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.97 1c22 s ASP 187 CO 0.10 -0.58 0.33 -0.55 0.52 0.00 0.00 175.17 174.99 1c22 s SER 188 N 1.47 -0.39 0.47 -0.34 0.15 -1.26 -4.97 113.70 108.82 1c22 s SER 188 Ca 0.57 0.71 0.32 0.00 0.70 0.00 0.00 55.95 58.25 1c22 s SER 188 Cb -0.26 0.59 1.55 0.00 -1.71 0.00 0.00 66.02 66.19 1c22 s SER 188 CO 0.24 -0.18 1.96 0.03 1.20 0.00 0.00 173.24 176.49 1c22 h ARG 189 N 7.13 0.00 0.00 5.44 3.08 -2.00 -1.86 114.38 126.17 1c22 h ARG 189 Ca -0.39 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 1c22 h ARG 189 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1c22 h ARG 189 CO 0.34 0.00 -0.19 0.93 -1.07 0.00 0.00 179.97 179.97 1c22 h GLU 190 N 0.00 0.00 -6.26 0.04 5.08 -2.00 -3.44 114.58 108.00 1c22 h GLU 190 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1c22 h GLU 190 Cb 0.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1c22 h GLU 190 CO 0.00 0.19 0.58 0.99 -1.00 0.00 0.00 179.01 179.78 1c22 s THR 191 N -3.69 4.74 -0.45 1.13 2.01 -0.70 -4.98 115.64 113.70 1c22 s THR 191 Ca 0.00 2.01 0.06 0.00 0.31 0.00 0.00 61.69 64.08 1c22 s THR 191 Cb 0.10 -4.29 0.18 0.00 0.01 0.00 0.00 72.50 68.50 1c22 s THR 191 CO 0.62 0.00 0.58 0.21 -0.69 0.00 0.00 174.62 175.34 1c22 s ASN 192 N 1.13 -0.52 -0.04 3.53 3.04 -1.26 -4.61 114.94 116.20 1c22 s ASN 192 Ca 0.49 -1.72 -0.01 0.00 0.04 0.00 0.00 52.86 51.66 1c22 s ASN 192 Cb -0.19 1.29 0.03 0.00 -1.54 0.00 0.00 41.25 40.84 1c22 s ASN 192 CO 0.18 -0.13 0.04 -0.69 -3.04 0.00 0.00 177.10 173.46 1c22 s VAL 193 N 1.06 -0.00 -0.13 -5.21 1.01 -1.26 -5.02 120.40 110.83 1c22 s VAL 193 Ca 0.25 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 1c22 s VAL 193 Cb -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1c22 s VAL 193 CO -0.07 0.18 0.30 -0.69 0.00 0.00 0.00 175.10 174.81 1c22 s VAL 194 N 1.88 5.29 0.45 2.92 1.01 -1.26 -0.53 120.40 130.15 1c22 s VAL 194 Ca 0.02 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 1c22 s VAL 194 Cb -0.12 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1c22 s VAL 194 CO -0.03 0.43 1.02 -0.76 0.00 0.00 0.00 175.10 175.76 1c22 s LEU 195 N 0.13 3.93 0.02 3.92 1.02 -0.06 -4.88 118.68 122.76 1c22 s LEU 195 Ca 0.17 1.90 -0.04 0.00 0.02 0.00 0.00 54.13 56.19 1c22 s LEU 195 Cb -0.13 -4.47 -0.01 0.00 0.02 0.00 0.00 46.19 41.60 1c22 s LEU 195 CO 0.05 -0.63 0.07 -1.59 0.02 0.00 0.00 176.35 174.27 1c22 s LYS 196 N -3.05 0.46 0.48 1.70 -2.85 -1.26 -0.81 119.74 114.41 1c22 s LYS 196 Ca 0.64 -0.58 -0.24 0.00 -1.00 0.00 0.00 55.97 54.79 1c22 s LYS 196 Cb -0.16 0.18 -0.07 0.00 -2.06 0.00 0.00 37.83 35.72 1c22 s LYS 196 CO 0.20 -0.10 1.38 -2.14 0.10 0.00 0.00 175.35 174.79 1c22 s PRO 197 N -1.79 3.53 0.00 1.78 0.02 -1.26 -2.62 135.00 134.65 1c22 s PRO 197 Ca -0.12 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1c22 s PRO 197 Cb -0.06 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1c22 s PRO 197 CO -0.01 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 1c22 n GLY 198 N 0.63 0.42 3.78 0.52 0.00 -0.10 -4.87 105.19 105.56 1c22 n GLY 198 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1c22 n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c22 s MET 199 N -0.87 4.61 -0.06 1.61 -1.94 -1.08 -0.89 119.30 120.68 1c22 s MET 199 Ca 0.00 1.31 0.02 0.00 -1.71 0.00 0.00 55.69 55.31 1c22 s MET 199 Cb 0.00 -2.93 0.02 0.00 2.01 0.00 0.00 34.83 33.92 1c22 s MET 199 CO 0.00 0.36 -0.11 0.95 -0.01 0.00 0.00 175.02 176.21 1c22 s THR 200 N -1.49 1.04 0.30 2.05 -4.23 -1.26 -0.77 115.64 111.27 1c22 s THR 200 Ca 0.47 -0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.40 1c22 s THR 200 Cb -0.20 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.69 1c22 s THR 200 CO 0.25 0.34 0.66 0.72 -0.54 0.00 0.00 174.62 176.05 1c22 s PHE 201 N 0.76 0.08 0.19 3.99 -0.71 -0.77 -2.70 117.98 118.82 1c22 s PHE 201 Ca -0.13 -0.55 0.07 0.00 -1.04 0.00 0.00 56.93 55.27 1c22 s PHE 201 Cb -0.15 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1c22 s PHE 201 CO 0.03 -1.25 0.08 0.95 -1.34 0.00 0.00 175.22 173.69 1c22 s THR 202 N -3.55 4.08 -0.10 -4.49 -4.23 -0.31 -0.36 115.64 106.68 1c22 s THR 202 Ca 0.16 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1c22 s THR 202 Cb -0.04 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.71 1c22 s THR 202 CO 0.09 -0.17 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.22 1c22 s ILE 203 N -1.85 1.50 -0.44 2.99 1.01 -0.94 -3.47 121.20 120.00 1c22 s ILE 203 Ca 0.30 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1c22 s ILE 203 Cb -0.09 -1.36 0.30 0.00 0.01 0.00 0.00 42.46 41.32 1c22 s ILE 203 CO 0.21 0.44 0.95 -1.84 0.00 0.00 0.00 174.94 174.70 1c22 n GLU 204 N 4.08 0.94 -1.76 2.79 0.28 -1.26 -2.22 120.64 123.48 1c22 n GLU 204 Ca -0.20 -2.28 -0.41 0.00 -0.16 0.00 0.00 57.16 54.11 1c22 n GLU 204 Cb 0.51 -1.27 -0.00 0.00 1.43 0.00 0.00 31.44 32.11 1c22 n GLU 204 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1c22 n PRO 205 N 0.68 2.66 -4.01 3.44 -0.04 -1.23 -4.76 135.00 131.74 1c22 n PRO 205 Ca 0.12 0.93 -0.35 0.00 -0.04 0.00 0.00 63.50 64.16 1c22 n PRO 205 Cb 0.66 -2.67 -0.14 0.00 -0.04 0.00 0.00 33.50 31.31 1c22 n PRO 205 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1c22 s MET 206 N -1.71 3.39 -0.05 0.54 -1.94 -1.26 -3.45 119.30 114.82 1c22 s MET 206 Ca 0.56 -0.63 0.06 0.00 -1.71 0.00 0.00 55.69 53.97 1c22 s MET 206 Cb -0.49 -2.96 -0.01 0.00 2.01 0.00 0.00 34.83 33.38 1c22 s MET 206 CO 0.60 -0.14 -0.24 0.08 -0.01 0.00 0.00 175.02 175.31 1c22 s VAL 207 N 1.32 1.97 -0.08 -6.03 1.01 0.10 -1.06 120.40 117.64 1c22 s VAL 207 Ca 0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1c22 s VAL 207 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1c22 s VAL 207 CO -0.02 0.55 0.00 0.20 0.00 0.00 0.00 175.10 175.83 1c22 s ASN 208 N -0.21 5.23 0.30 3.32 0.01 -0.22 0.41 114.94 123.78 1c22 s ASN 208 Ca -0.02 0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 1c22 s ASN 208 Cb -0.13 -1.46 0.48 0.00 0.41 0.00 0.00 41.25 40.55 1c22 s ASN 208 CO 0.03 0.37 1.75 0.00 -1.51 0.00 0.00 177.10 177.74 1c22 h ALA 209 N 5.05 1.17 -3.00 0.60 0.00 -0.90 -1.53 119.26 120.65 1c22 h ALA 209 Ca -0.51 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1c22 h ALA 209 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1c22 h ALA 209 CO 0.55 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.74 1c22 n GLY 210 N -0.44 0.78 3.89 0.00 0.00 -1.26 -4.70 105.19 103.46 1c22 n GLY 210 Ca -0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1c22 n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c22 s LYS 211 N 3.82 3.39 0.43 1.61 3.01 -1.26 -3.93 119.74 126.81 1c22 s LYS 211 Ca 0.00 0.42 0.23 0.00 -1.01 0.00 0.00 55.97 55.61 1c22 s LYS 211 Cb 0.00 -2.20 0.81 0.00 -1.01 0.00 0.00 37.83 35.43 1c22 s LYS 211 CO 0.00 -0.52 1.78 1.57 0.51 0.00 0.00 175.35 178.69 1c22 h LYS 212 N -0.16 0.00 -6.80 1.68 2.10 -1.91 -3.46 116.57 108.02 1c22 h LYS 212 Ca -0.45 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.65 1c22 h LYS 212 Cb 1.21 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.64 1c22 h LYS 212 CO 0.62 0.24 0.73 0.39 -2.00 0.00 0.00 179.45 179.43 1c22 n GLU 213 N -3.36 2.48 -4.48 0.07 4.71 -1.26 -4.70 120.64 114.11 1c22 n GLU 213 Ca 0.00 0.88 -0.23 0.00 -0.01 0.00 0.00 57.16 57.81 1c22 n GLU 213 Cb 0.46 -2.58 -0.11 0.00 -1.01 0.00 0.00 31.44 28.21 1c22 n GLU 213 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1c22 s ILE 214 N -0.61 1.40 -0.10 -3.67 -4.36 -1.26 -0.62 121.20 111.98 1c22 s ILE 214 Ca 0.59 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.89 1c22 s ILE 214 Cb -0.52 -2.77 0.04 0.00 1.25 0.00 0.00 42.46 40.45 1c22 s ILE 214 CO 0.57 -0.05 0.25 -0.13 0.24 0.00 0.00 174.94 175.82 1c22 s ARG 215 N -3.83 0.26 -0.06 0.37 3.00 0.19 -4.68 118.95 114.19 1c22 s ARG 215 Ca 0.35 0.44 -0.24 0.00 0.00 0.00 0.00 55.73 56.28 1c22 s ARG 215 Cb 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 34.95 35.02 1c22 s ARG 215 CO 0.15 -0.10 0.73 0.99 0.00 0.00 0.00 175.30 177.08 1c22 s THR 216 N 0.67 5.03 0.85 0.02 2.01 -1.26 -0.52 115.64 122.44 1c22 s THR 216 Ca -0.04 1.51 -0.12 0.00 0.31 0.00 0.00 61.69 63.35 1c22 s THR 216 Cb -0.06 -4.07 0.10 0.00 0.01 0.00 0.00 72.50 68.48 1c22 s THR 216 CO -0.04 0.24 1.12 -0.04 -0.69 0.00 0.00 174.62 175.21 1c22 s MET 217 N 0.83 1.65 0.47 4.92 -1.94 0.69 -4.95 119.30 120.96 1c22 s MET 217 Ca 0.39 0.44 0.32 0.00 -1.71 0.00 0.00 55.69 55.13 1c22 s MET 217 Cb -0.18 -1.88 1.44 0.00 2.01 0.00 0.00 34.83 36.21 1c22 s MET 217 CO 0.19 -1.88 1.95 1.57 -0.01 0.00 0.00 175.02 176.84 1c22 h LYS 218 N -1.27 0.00 0.00 2.03 -0.00 -1.97 -1.89 116.57 113.47 1c22 h LYS 218 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1c22 h LYS 218 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 1c22 h LYS 218 CO 0.61 0.00 0.00 -0.40 -0.00 0.00 0.00 179.45 179.66 1c22 n ASP 219 N -2.78 0.60 -0.06 7.07 5.68 -1.26 -4.87 116.55 120.93 1c22 n ASP 219 Ca 0.00 0.65 -0.01 0.00 -0.50 0.00 0.00 54.79 54.93 1c22 n ASP 219 Cb 0.22 -0.78 -0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1c22 n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c22 n GLY 220 N -0.02 0.49 1.69 6.12 0.00 -0.71 -4.82 105.19 107.93 1c22 n GLY 220 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1c22 n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c22 n TRP 221 N -2.93 -0.77 -1.70 1.61 7.02 -1.26 -4.99 117.44 114.43 1c22 n TRP 221 Ca -0.01 0.14 -0.44 0.00 -1.02 0.00 0.00 57.50 56.17 1c22 n TRP 221 Cb 0.05 0.37 -0.03 0.00 -2.42 0.00 0.00 31.31 29.28 1c22 n TRP 221 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1c22 n THR 222 N -3.02 0.53 -5.21 -0.99 -1.04 -1.26 -4.67 114.28 98.62 1c22 n THR 222 Ca 0.00 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.05 61.56 1c22 n THR 222 Cb 0.09 -1.70 -0.16 0.00 -1.82 0.00 0.00 70.33 66.74 1c22 n THR 222 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1c22 s VAL 223 N 0.45 2.18 0.18 12.58 1.01 -0.94 -0.23 120.40 135.63 1c22 s VAL 223 Ca 0.71 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1c22 s VAL 223 Cb -0.60 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1c22 s VAL 223 CO 0.43 0.57 -0.08 -0.54 0.00 0.00 0.00 175.10 175.47 1c22 s LYS 224 N -0.15 1.19 0.47 2.72 1.02 0.32 0.45 119.74 125.76 1c22 s LYS 224 Ca -0.04 -1.54 -0.22 0.00 0.02 0.00 0.00 55.97 54.19 1c22 s LYS 224 Cb -0.14 -0.72 -0.07 0.00 -0.52 0.00 0.00 37.83 36.38 1c22 s LYS 224 CO 0.04 0.05 1.14 0.95 -0.92 0.00 0.00 175.35 176.60 1c22 s THR 225 N -3.28 3.24 0.25 2.17 -4.23 -0.88 -0.64 115.64 112.27 1c22 s THR 225 Ca 0.21 0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1c22 s THR 225 Cb 0.03 -3.43 0.05 0.00 1.34 0.00 0.00 72.50 70.49 1c22 s THR 225 CO 0.04 -0.05 1.68 0.07 -0.54 0.00 0.00 174.62 175.81 1c22 h LYS 226 N 1.92 0.60 -0.36 3.99 -0.00 -1.14 -2.89 116.57 118.69 1c22 h LYS 226 Ca -0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 60.65 59.92 1c22 h LYS 226 Cb 1.24 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1c22 h LYS 226 CO 0.60 0.80 0.00 -0.40 -0.00 0.00 0.00 179.45 180.44 1c22 n ASP 227 N -4.11 2.19 -1.17 7.07 5.68 -1.26 -4.91 116.55 120.04 1c22 n ASP 227 Ca -0.00 -1.92 -0.15 0.00 -0.50 0.00 0.00 54.79 52.21 1c22 n ASP 227 Cb 0.43 -0.24 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 1c22 n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1c22 n ARG 228 N 0.68 -1.17 -1.59 0.11 3.00 -1.09 -5.00 116.66 111.61 1c22 n ARG 228 Ca 0.15 1.03 -0.30 0.00 -0.01 0.00 0.00 57.85 58.72 1c22 n ARG 228 Cb 0.37 -5.22 0.10 0.00 0.00 0.00 0.00 32.46 27.71 1c22 n ARG 228 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1c22 s SER 229 N -2.77 4.27 0.56 0.55 1.04 -1.26 -4.76 113.70 111.32 1c22 s SER 229 Ca 0.00 1.17 -0.18 0.00 0.48 0.00 0.00 55.95 57.41 1c22 s SER 229 Cb 0.00 -1.85 -0.05 0.00 0.10 0.00 0.00 66.02 64.22 1c22 s SER 229 CO 0.00 -2.10 1.09 -0.76 0.98 0.00 0.00 173.24 172.46 1c22 s LEU 230 N -5.82 3.68 -0.00 2.42 1.43 -1.26 -4.21 118.68 114.92 1c22 s LEU 230 Ca 0.62 2.04 0.02 0.00 -1.03 0.00 0.00 54.13 55.77 1c22 s LEU 230 Cb -0.14 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 1c22 s LEU 230 CO 0.54 -1.17 -0.06 -0.55 0.23 0.00 0.00 176.35 175.33 1c22 s SER 231 N -2.10 0.71 0.13 2.29 0.15 -0.95 -0.21 113.70 113.72 1c22 s SER 231 Ca 0.69 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.25 1c22 s SER 231 Cb -0.20 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1c22 s SER 231 CO 0.29 0.06 -0.10 0.00 1.20 0.00 0.00 173.24 174.69 1c22 s ALA 232 N -0.21 1.30 -0.09 5.45 0.00 0.16 -4.72 121.76 123.66 1c22 s ALA 232 Ca 0.02 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 1c22 s ALA 232 Cb -0.03 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1c22 s ALA 232 CO -0.00 -0.09 0.48 -1.14 0.00 0.00 0.00 175.76 175.01 1c22 s GLN 233 N -3.49 0.75 0.04 0.00 0.74 -1.26 0.01 119.66 116.45 1c22 s GLN 233 Ca 0.13 0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.80 1c22 s GLN 233 Cb 0.01 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.45 1c22 s GLN 233 CO -0.00 -0.18 -0.06 0.71 -0.55 0.00 0.00 175.29 175.20 1c22 s TYR 234 N -0.73 0.57 -0.07 1.67 2.02 -1.22 -4.06 117.35 115.53 1c22 s TYR 234 Ca -0.08 -0.53 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 1c22 s TYR 234 Cb -0.03 -0.35 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1c22 s TYR 234 CO 0.05 -0.12 0.18 -2.00 -1.57 0.00 0.00 175.55 172.09 1c22 s GLU 235 N -1.64 0.20 0.06 -0.62 2.12 -0.90 -3.52 118.70 114.41 1c22 s GLU 235 Ca -0.11 0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.49 1c22 s GLU 235 Cb -0.09 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 1c22 s GLU 235 CO -0.00 -0.03 -0.07 -1.01 -0.54 0.00 0.00 175.26 173.60 1c22 s HIS 236 N 0.12 0.73 -0.18 5.30 3.76 -0.94 -2.39 115.29 121.69 1c22 s HIS 236 Ca -0.00 -0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 54.21 1c22 s HIS 236 Cb -0.01 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 1c22 s HIS 236 CO 0.00 -0.10 0.10 0.99 -0.85 0.00 0.00 174.74 174.88 1c22 s THR 237 N -2.01 5.13 0.24 1.30 2.01 -1.22 -2.22 115.64 118.87 1c22 s THR 237 Ca -0.04 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1c22 s THR 237 Cb -0.06 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 1c22 s THR 237 CO -0.01 0.47 0.04 0.27 -0.69 0.00 0.00 174.62 174.70 1c22 s ILE 238 N 0.18 0.83 -0.06 1.82 -4.36 0.52 -0.96 121.20 119.17 1c22 s ILE 238 Ca 0.07 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 1c22 s ILE 238 Cb -0.12 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.12 1c22 s ILE 238 CO -0.00 -0.19 -0.19 0.54 0.24 0.00 0.00 174.94 175.33 1c22 s VAL 239 N -3.56 1.62 -0.06 8.37 0.11 -0.71 -1.84 120.40 124.34 1c22 s VAL 239 Ca 0.32 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1c22 s VAL 239 Cb 0.07 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 1c22 s VAL 239 CO 0.11 0.46 1.06 -0.69 -3.33 0.00 0.00 175.10 172.71 1c22 s VAL 240 N 0.17 4.63 0.35 2.04 1.01 0.05 -1.28 120.40 127.36 1c22 s VAL 240 Ca -0.09 1.90 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1c22 s VAL 240 Cb -0.14 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.06 1c22 s VAL 240 CO 0.04 0.04 0.38 0.35 0.00 0.00 0.00 175.10 175.92 1c22 n THR 241 N 4.38 0.00 0.06 3.92 -2.24 -0.29 -0.93 114.28 119.18 1c22 n THR 241 Ca 0.09 -1.25 0.04 0.00 -2.27 0.00 0.00 64.05 60.65 1c22 n THR 241 Cb 0.48 -0.48 0.45 0.00 -2.10 0.00 0.00 70.33 68.68 1c22 n THR 241 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1c22 h ASP 242 N 0.21 0.35 0.00 3.42 3.45 -1.97 -3.24 116.42 118.64 1c22 h ASP 242 Ca -0.19 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.23 1c22 h ASP 242 Cb 0.77 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 1c22 h ASP 242 CO 0.28 0.31 -0.37 -0.46 -1.57 0.00 0.00 179.24 177.43 1c22 n ASN 243 N -4.44 1.04 0.00 6.45 6.94 -1.26 -4.68 115.26 119.31 1c22 n ASN 243 Ca 0.01 -2.51 0.00 0.00 -0.02 0.00 0.00 54.58 52.06 1c22 n ASN 243 Cb 0.11 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1c22 n ASN 243 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1c22 n GLY 244 N -0.54 -0.47 3.48 4.83 0.00 -1.22 -0.94 105.19 110.32 1c22 n GLY 244 Ca 0.07 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1c22 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c22 s GLU 246 N -3.94 1.63 -0.38 0.00 2.12 -0.41 -1.61 118.70 116.11 1c22 s GLU 246 Ca 0.15 -0.44 -0.20 0.00 0.36 0.00 0.00 54.97 54.84 1c22 s GLU 246 Cb 0.00 -1.37 0.01 0.00 0.26 0.00 0.00 34.13 33.03 1c22 s GLU 246 CO 0.01 0.08 0.59 0.42 -0.54 0.00 0.00 175.26 175.83 1c22 s ILE 247 N 0.48 4.92 -0.05 -3.70 1.01 0.31 -1.73 121.20 122.44 1c22 s ILE 247 Ca -0.11 0.36 0.20 0.00 0.00 0.00 0.00 60.65 61.10 1c22 s ILE 247 Cb -0.14 -4.07 0.17 0.00 0.01 0.00 0.00 42.46 38.42 1c22 s ILE 247 CO 0.03 -0.36 1.63 -0.07 0.00 0.00 0.00 174.94 176.17 1c22 h LEU 248 N 9.36 0.00 -3.52 2.97 3.38 -1.38 -3.30 115.31 122.83 1c22 h LEU 248 Ca -0.27 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.45 1c22 h LEU 248 Cb 1.11 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 1c22 h LEU 248 CO 0.83 0.33 0.11 0.35 0.09 0.00 0.00 178.44 180.15 1c22 n THR 249 N -3.30 2.72 -2.01 0.22 -2.24 -1.24 -3.36 114.28 105.07 1c22 n THR 249 Ca 0.01 -2.50 -0.40 0.00 -2.27 0.00 0.00 64.05 58.90 1c22 n THR 249 Cb 0.58 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1c22 n THR 249 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1c22 s LEU 250 N -3.24 4.21 0.44 3.22 2.96 -1.24 -4.68 118.68 120.34 1c22 s LEU 250 Ca 0.48 2.71 0.06 0.00 -0.22 0.00 0.00 54.13 57.16 1c22 s LEU 250 Cb 0.42 -3.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1c22 s LEU 250 CO 0.03 -0.89 0.17 -0.13 -1.32 0.00 0.00 176.35 174.21 1c22 s ARG 251 N -2.25 2.20 0.52 1.98 0.52 -1.26 -4.92 118.95 115.74 1c22 s ARG 251 Ca 0.57 -1.96 0.18 0.00 -0.52 0.00 0.00 55.73 54.00 1c22 s ARG 251 Cb -0.39 -1.91 1.33 0.00 0.52 0.00 0.00 34.95 34.49 1c22 s ARG 251 CO 0.51 -0.21 2.14 0.87 0.02 0.00 0.00 175.30 178.62 1c22 h LYS 252 N 1.35 0.00 -0.01 3.54 6.56 -1.95 -2.47 116.57 123.60 1c22 h LYS 252 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1c22 h LYS 252 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1c22 h LYS 252 CO 0.70 0.03 -0.22 -0.40 -2.06 0.00 0.00 179.45 177.50 1c22 n ASP 253 N -4.36 1.04 -4.77 0.86 5.75 -1.26 -4.88 116.55 108.92 1c22 n ASP 253 Ca -0.03 -0.93 -0.37 0.00 -0.01 0.00 0.00 54.79 53.46 1c22 n ASP 253 Cb 0.12 0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 1c22 n ASP 253 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1c22 s ASP 254 N -2.45 6.23 -0.18 -1.12 1.01 -0.93 -4.93 116.67 114.29 1c22 s ASP 254 Ca 0.26 2.22 0.16 0.00 0.71 0.00 0.00 52.55 55.90 1c22 s ASP 254 Cb 0.19 -2.59 0.48 0.00 1.01 0.00 0.00 42.92 42.01 1c22 s ASP 254 CO 0.50 -0.87 1.37 0.35 0.21 0.00 0.00 175.17 176.73 1c22 n THR 255 N -0.54 2.24 -4.32 -1.27 -2.24 -1.26 -4.93 114.28 101.96 1c22 n THR 255 Ca 0.07 -2.04 -0.30 0.00 -2.27 0.00 0.00 64.05 59.51 1c22 n THR 255 Cb 0.49 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 1c22 n THR 255 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1c22 s ILE 256 N -2.88 3.20 0.57 2.28 2.07 -1.26 -5.11 121.20 120.06 1c22 s ILE 256 Ca 0.41 -1.27 -0.18 0.00 -1.41 0.00 0.00 60.65 58.20 1c22 s ILE 256 Cb 0.34 -2.46 -0.05 0.00 0.13 0.00 0.00 42.46 40.42 1c22 s ILE 256 CO 0.07 0.16 1.09 -2.84 -1.91 0.00 0.00 174.94 171.51 1c22 s PRO 257 N -2.03 3.32 0.27 3.50 0.02 -1.26 -4.94 135.00 133.88 1c22 s PRO 257 Ca 0.19 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.63 1c22 s PRO 257 Cb -0.11 -2.02 0.37 0.00 0.02 0.00 0.00 34.50 32.76 1c22 s PRO 257 CO 0.11 -0.83 1.71 0.00 -0.33 0.00 0.00 177.00 177.66 1c22 h ALA 258 N 0.83 1.06 -3.09 -1.55 0.00 -1.96 -3.41 119.26 111.15 1c22 h ALA 258 Ca -0.48 -0.34 -0.66 0.00 0.00 0.00 0.00 54.91 53.42 1c22 h ALA 258 Cb 1.24 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 1c22 h ALA 258 CO 0.57 0.57 -0.77 0.42 0.00 0.00 0.00 179.25 180.03 1c22 s ILE 259 N -4.54 2.90 -0.21 0.00 -1.09 -1.26 -0.53 121.20 116.47 1c22 s ILE 259 Ca -0.07 -0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1c22 s ILE 259 Cb 0.14 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.73 1c22 s ILE 259 CO 0.80 0.48 -0.01 -0.63 -1.23 0.00 0.00 174.94 174.35 1c22 s ILE 260 N 1.15 3.73 -0.05 2.92 1.01 -0.63 -5.02 121.20 124.30 1c22 s ILE 260 Ca 0.01 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1c22 s ILE 260 Cb -0.14 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1c22 s ILE 260 CO -0.04 0.42 -0.18 -0.44 0.00 0.00 0.00 174.94 174.70 1c22 s SER 261 N 1.24 3.73 0.03 3.58 0.01 -1.26 -2.45 113.70 118.59 1c22 s SER 261 Ca 0.03 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 57.06 1c22 s SER 261 Cb -0.15 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 1c22 s SER 261 CO 0.00 0.32 -0.14 -1.00 0.41 0.00 0.00 173.24 172.83 1c22 s HIS 262 N -0.57 2.68 0.00 2.43 3.76 -0.12 -5.00 115.29 118.47 1c22 s HIS 262 Ca 0.08 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1c22 s HIS 262 Cb -0.11 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1c22 s HIS 262 CO 0.01 0.30 0.00 -0.25 -0.85 0.00 0.00 174.74 173.95