#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2spo s VAL 1 N 0.00 -0.14 0.43 3.17 1.01 -1.26 -5.07 120.40 118.54 2spo s VAL 1 Ca 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 2spo s VAL 1 Cb 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 36.38 36.04 2spo s VAL 1 CO 0.00 0.11 0.85 -0.76 0.00 0.00 0.00 175.10 175.30 2spo s LEU 2 N 1.66 3.82 0.67 3.92 1.02 -1.26 -5.07 118.68 123.44 2spo s LEU 2 Ca -0.04 1.37 -0.07 0.00 0.02 0.00 0.00 54.13 55.42 2spo s LEU 2 Cb -0.12 -4.25 0.05 0.00 0.02 0.00 0.00 46.19 41.89 2spo s LEU 2 CO -0.06 -0.42 0.99 -0.94 0.02 0.00 0.00 176.35 175.94 2spo s SER 3 N -2.84 5.05 0.40 2.29 1.04 -1.26 -4.88 113.70 113.49 2spo s SER 3 Ca 0.56 0.55 0.08 0.00 0.48 0.00 0.00 55.95 57.62 2spo s SER 3 Cb -0.10 -1.29 0.83 0.00 0.10 0.00 0.00 66.02 65.56 2spo s SER 3 CO 0.26 -1.45 1.98 -0.08 0.98 0.00 0.00 173.24 174.94 2spo h GLU 4 N -0.49 0.37 -0.30 4.02 4.57 -1.99 -1.48 114.58 119.28 2spo h GLU 4 Ca -0.45 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 57.58 2spo h GLU 4 Cb 1.30 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 2spo h GLU 4 CO 0.60 0.36 -0.24 0.78 -1.18 0.00 0.00 179.01 179.34 2spo h GLY 5 N 0.61 0.63 0.96 1.92 0.00 -1.99 0.67 103.07 105.87 2spo h GLY 5 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 2spo h GLY 5 CO -0.00 0.47 -0.26 0.83 0.00 0.00 0.00 176.54 177.58 2spo h GLU 6 N 0.51 0.70 -0.49 4.80 5.08 -1.75 -2.35 114.58 121.07 2spo h GLU 6 Ca 0.07 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2spo h GLU 6 Cb 0.68 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2spo h GLU 6 CO 0.05 0.97 0.23 -1.49 -1.00 0.00 0.00 179.01 177.76 2spo h TRP 7 N 0.45 0.68 -0.49 4.33 4.06 -0.86 -2.00 115.95 122.13 2spo h TRP 7 Ca 0.05 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.91 2spo h TRP 7 Cb 0.82 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 2spo h TRP 7 CO 0.07 0.51 0.02 1.96 -3.56 0.00 0.00 178.44 177.44 2spo h GLN 8 N 0.69 0.80 -0.21 0.49 1.08 -0.53 0.15 115.11 117.59 2spo h GLN 8 Ca 0.17 -0.21 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 2spo h GLN 8 Cb 0.09 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2spo h GLN 8 CO -0.02 0.79 -0.29 -0.07 -0.95 0.00 0.00 178.83 178.29 2spo h LEU 9 N 0.75 0.41 -0.08 1.46 3.38 -1.00 0.26 115.31 120.49 2spo h LEU 9 Ca 0.15 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2spo h LEU 9 Cb 0.43 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2spo h LEU 9 CO 0.02 0.69 -0.54 0.58 0.09 0.00 0.00 178.44 179.27 2spo h VAL 10 N 0.35 1.38 0.00 1.22 2.07 -0.68 -2.74 116.25 117.85 2spo h VAL 10 Ca 0.05 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2spo h VAL 10 Cb 0.69 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2spo h VAL 10 CO 0.05 0.57 0.00 -0.07 0.02 0.00 0.00 177.57 178.14 2spo h LEU 11 N 0.08 0.00 -0.06 2.57 3.38 -0.57 -1.04 115.31 119.68 2spo h LEU 11 Ca -0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 2spo h LEU 11 Cb 1.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.97 2spo h LEU 11 CO 0.11 0.00 -1.00 -0.74 0.09 0.00 0.00 178.44 176.90 2spo h HIS 12 N 0.00 0.93 0.02 1.13 2.76 -0.85 -1.16 115.15 117.99 2spo h HIS 12 Ca 0.00 -0.50 -0.21 0.00 -2.20 0.00 0.00 60.37 57.46 2spo h HIS 12 Cb 0.71 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2spo h HIS 12 CO 0.00 1.33 -0.96 -0.24 -1.30 0.00 0.00 177.93 176.77 2spo h VAL 13 N 0.36 1.57 -0.07 5.26 3.04 -1.24 -2.89 116.25 122.29 2spo h VAL 13 Ca -0.11 -2.93 -0.05 0.00 -1.01 0.00 0.00 66.70 62.61 2spo h VAL 13 Cb 1.65 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 33.57 2spo h VAL 13 CO 0.19 0.85 -0.17 -0.25 -1.01 0.00 0.00 177.57 177.18 2spo h TRP 14 N 0.06 0.11 0.00 3.17 2.91 -1.00 -1.60 115.95 119.59 2spo h TRP 14 Ca -0.04 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 2spo h TRP 14 Cb 1.64 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 30.25 2spo h TRP 14 CO 0.02 0.27 -0.20 0.00 -1.03 0.00 0.00 178.44 177.51 2spo h ALA 15 N 1.73 1.35 -0.01 2.65 0.00 -0.99 -0.67 119.26 123.33 2spo h ALA 15 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2spo h ALA 15 Cb 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2spo h ALA 15 CO 0.02 0.25 -0.33 0.87 0.00 0.00 0.00 179.25 180.06 2spo h LYS 16 N 0.00 0.24 -0.71 0.00 1.79 -1.35 -3.12 116.57 113.43 2spo h LYS 16 Ca -0.00 -0.25 0.13 0.00 -2.18 0.00 0.00 60.65 58.35 2spo h LYS 16 Cb 0.44 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.07 2spo h LYS 16 CO 0.03 0.95 0.25 0.28 -1.08 0.00 0.00 179.45 179.88 2spo h VAL 17 N -0.37 0.65 0.00 0.50 2.07 -0.71 -1.77 116.25 116.62 2spo h VAL 17 Ca -0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2spo h VAL 17 Cb 1.06 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2spo h VAL 17 CO 0.07 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.11 2spo n GLU 18 N -5.04 0.09 0.17 1.57 1.02 -0.32 -1.33 120.64 116.80 2spo n GLU 18 Ca 0.13 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 2spo n GLU 18 Cb 0.39 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.68 2spo n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2spo h ALA 19 N 2.32 1.00 -1.29 0.62 0.00 -1.31 -3.36 119.26 117.25 2spo h ALA 19 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 2spo h ALA 19 Cb 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.59 2spo h ALA 19 CO 0.00 0.00 -0.78 -3.47 0.00 0.00 0.00 179.25 175.00 2spo n ASP 20 N -2.64 -1.57 -0.19 0.00 2.03 -0.45 -5.01 116.55 108.72 2spo n ASP 20 Ca 0.04 -2.85 -0.08 0.00 0.52 0.00 0.00 54.79 52.42 2spo n ASP 20 Cb 0.42 0.57 0.02 0.00 -0.72 0.00 0.00 41.12 41.41 2spo n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2spo h VAL 21 N 3.40 1.21 -0.58 5.18 2.07 -1.70 -1.85 116.25 123.99 2spo h VAL 21 Ca 0.04 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2spo h VAL 21 Cb 0.97 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2spo h VAL 21 CO 0.32 0.25 -0.00 0.00 0.02 0.00 0.00 177.57 178.16 2spo h ALA 22 N 1.07 0.78 -0.52 1.67 0.00 -1.92 0.82 119.26 121.17 2spo h ALA 22 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2spo h ALA 22 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2spo h ALA 22 CO -0.02 0.61 0.11 0.78 0.00 0.00 0.00 179.25 180.74 2spo h GLY 23 N 0.91 0.90 1.21 0.00 0.00 -1.91 -1.46 103.07 102.72 2spo h GLY 23 Ca 0.16 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 2spo h GLY 23 CO 0.03 0.54 -0.37 0.45 0.00 0.00 0.00 176.54 177.19 2spo h HIS 24 N 0.72 1.04 -0.69 5.60 3.86 -1.19 -2.14 115.15 122.35 2spo h HIS 24 Ca 0.16 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 2spo h HIS 24 Cb 0.36 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 2spo h HIS 24 CO 0.02 1.10 0.19 0.78 0.86 0.00 0.00 177.93 180.88 2spo h GLY 25 N 0.85 1.16 0.80 2.45 0.00 -0.65 -1.55 103.07 106.14 2spo h GLY 25 Ca 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 2spo h GLY 25 CO 0.09 0.65 0.01 -1.61 0.00 0.00 0.00 176.54 175.68 2spo h GLN 26 N 1.03 0.09 -0.64 4.80 4.15 -1.18 -2.24 115.11 121.12 2spo h GLN 26 Ca 0.22 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.67 2spo h GLN 26 Cb 0.33 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2spo h GLN 26 CO -0.00 0.28 0.35 -0.44 -1.93 0.00 0.00 178.83 177.09 2spo h ASP 27 N -0.12 0.52 -0.03 -0.69 5.19 -1.20 -1.62 116.42 118.47 2spo h ASP 27 Ca 0.02 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2spo h ASP 27 Cb 0.23 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2spo h ASP 27 CO -0.00 0.34 0.01 0.40 -3.12 0.00 0.00 179.24 176.87 2spo h ILE 28 N 0.66 1.18 -0.36 0.35 2.04 -1.23 -0.85 117.51 119.29 2spo h ILE 28 Ca 0.28 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 2spo h ILE 28 Cb 0.16 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2spo h ILE 28 CO -0.17 0.14 -0.09 0.58 0.00 0.00 0.00 178.15 178.61 2spo h VAL 29 N -0.16 1.24 -0.35 1.67 2.07 -1.29 -0.20 116.25 119.23 2spo h VAL 29 Ca 0.01 -1.03 -0.16 0.00 0.82 0.00 0.00 66.70 66.33 2spo h VAL 29 Cb 0.22 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2spo h VAL 29 CO -0.00 0.35 -0.41 0.40 0.02 0.00 0.00 177.57 177.93 2spo h ILE 30 N 0.56 1.27 -0.65 4.57 2.04 -1.27 -1.09 117.51 122.95 2spo h ILE 30 Ca 0.10 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.41 2spo h ILE 30 Cb 0.50 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 2spo h ILE 30 CO 0.03 0.53 0.39 -0.09 0.00 0.00 0.00 178.15 179.00 2spo h ARG 31 N 0.71 0.73 0.29 2.37 9.65 -0.87 0.16 114.38 127.42 2spo h ARG 31 Ca 0.05 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2spo h ARG 31 Cb 1.01 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 2spo h ARG 31 CO 0.10 0.48 -0.14 1.25 2.80 0.00 0.00 179.97 184.46 2spo h LEU 32 N 0.75 -0.33 -1.32 3.80 5.85 -0.68 -0.53 115.31 122.84 2spo h LEU 32 Ca 0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2spo h LEU 32 Cb 0.07 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2spo h LEU 32 CO -0.13 -0.23 0.11 -0.26 -0.34 0.00 0.00 178.44 177.59 2spo h PHE 33 N -0.40 0.57 0.03 1.25 0.04 -0.87 -0.25 116.94 117.32 2spo h PHE 33 Ca -0.04 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 2spo h PHE 33 Cb 0.30 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2spo h PHE 33 CO -0.05 0.49 -0.02 0.87 -0.60 0.00 0.00 178.31 179.00 2spo h LYS 34 N 0.56 -0.04 0.17 1.51 1.57 -0.46 -2.95 116.57 116.93 2spo h LYS 34 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2spo h LYS 34 Cb 0.20 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2spo h LYS 34 CO -0.01 0.47 -0.08 0.77 -0.57 0.00 0.00 179.45 180.03 2spo h SER 35 N -0.58 -0.19 -3.76 0.86 0.02 -1.06 -3.38 113.55 105.45 2spo h SER 35 Ca -0.00 -0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 60.30 2spo h SER 35 Cb 0.53 0.05 -0.41 0.00 0.14 0.00 0.00 62.40 62.71 2spo h SER 35 CO 0.01 -0.11 -0.62 -1.00 -1.14 0.00 0.00 176.83 173.96 2spo s HIS 36 N -6.05 3.19 0.42 3.45 3.76 -0.11 -4.97 115.29 114.98 2spo s HIS 36 Ca -0.14 -3.16 0.27 0.00 -0.15 0.00 0.00 55.06 51.87 2spo s HIS 36 Cb 0.05 -2.66 1.45 0.00 1.11 0.00 0.00 32.58 32.53 2spo s HIS 36 CO 0.65 -0.67 2.08 -1.35 -0.85 0.00 0.00 174.74 174.60 2spo h PRO 37 N 6.06 0.00 0.00 8.40 0.11 -1.71 0.12 132.00 144.98 2spo h PRO 37 Ca 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 2spo h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2spo h PRO 37 CO 0.68 0.11 -0.01 1.05 -0.21 0.00 0.00 178.00 179.62 2spo h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.51 114.58 121.29 2spo h GLU 38 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2spo h GLU 38 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 2spo h GLU 38 CO 0.01 0.01 -0.25 1.79 0.05 0.00 0.00 179.01 180.63 2spo h THR 39 N 0.00 0.58 0.00 -1.06 1.35 -1.08 -2.46 112.91 110.25 2spo h THR 39 Ca -0.00 -1.21 -0.04 0.00 -0.55 0.00 0.00 66.41 64.61 2spo h THR 39 Cb 0.12 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 2spo h THR 39 CO 0.00 0.24 -0.18 0.25 -0.25 0.00 0.00 175.52 175.58 2spo h LEU 40 N 0.00 0.00 -2.14 3.87 5.85 -1.44 -1.99 115.31 119.46 2spo h LEU 40 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2spo h LEU 40 Cb 0.81 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2spo h LEU 40 CO 0.03 0.18 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.91 2spo h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.56 0.40 114.58 119.06 2spo h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2spo h GLU 41 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2spo h GLU 41 CO 0.02 0.07 0.00 1.63 -1.16 0.00 0.00 179.01 179.57 2spo n LYS 42 N -3.58 0.16 -3.45 2.33 4.76 -0.75 -4.58 118.16 113.05 2spo n LYS 42 Ca -0.02 0.32 -0.43 0.00 -2.87 0.00 0.00 58.31 55.31 2spo n LYS 42 Cb 0.19 -1.77 -0.07 0.00 -1.84 0.00 0.00 35.03 31.54 2spo n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2spo s PHE 43 N -3.20 3.38 0.58 2.13 0.40 0.13 -4.89 117.98 116.51 2spo s PHE 43 Ca 0.07 -1.68 0.35 0.00 -0.60 0.00 0.00 56.93 55.07 2spo s PHE 43 Cb 0.11 -3.63 1.99 0.00 0.51 0.00 0.00 43.02 42.00 2spo s PHE 43 CO 0.42 -1.00 2.27 -0.44 0.70 0.00 0.00 175.22 177.17 2spo h ASP 44 N 8.54 0.00 -0.46 1.36 3.32 -1.83 -1.05 116.42 126.30 2spo h ASP 44 Ca -0.22 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 2spo h ASP 44 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2spo h ASP 44 CO 0.92 0.02 -0.13 -0.09 -1.72 0.00 0.00 179.24 178.23 2spo h ARG 45 N 0.00 0.90 -0.11 3.56 2.43 -1.93 -3.28 114.38 115.95 2spo h ARG 45 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2spo h ARG 45 Cb 0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2spo h ARG 45 CO 0.00 1.00 0.00 1.19 -1.51 0.00 0.00 179.97 180.66 2spo n PHE 46 N -4.23 0.13 0.36 2.20 3.72 -0.87 -4.80 117.46 113.98 2spo n PHE 46 Ca -0.00 -0.15 0.12 0.00 -0.05 0.00 0.00 57.45 57.37 2spo n PHE 46 Cb 0.40 -0.01 0.51 0.00 -0.94 0.00 0.00 39.48 39.44 2spo n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2spo n LYS 47 N 0.58 0.20 0.24 -1.08 2.85 -0.45 -1.72 118.16 118.77 2spo n LYS 47 Ca 0.08 0.46 0.13 0.00 -1.05 0.00 0.00 58.31 57.92 2spo n LYS 47 Cb 0.32 -1.90 0.42 0.00 -0.65 0.00 0.00 35.03 33.22 2spo n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2spo h HIS 48 N 0.00 0.00 -2.40 5.58 2.07 -1.87 -3.45 115.15 115.08 2spo h HIS 48 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 2spo h HIS 48 Cb 0.32 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.35 2spo h HIS 48 CO 0.00 0.09 0.98 1.28 -3.07 0.00 0.00 177.93 177.21 2spo n LEU 49 N -3.17 3.64 -0.10 6.12 4.77 -0.70 -4.91 117.00 122.66 2spo n LEU 49 Ca 0.02 1.03 -0.12 0.00 -0.03 0.00 0.00 56.01 56.91 2spo n LEU 49 Cb 0.44 -1.49 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 2spo n LEU 49 CO 0.32 -0.01 -1.17 0.29 -1.33 0.00 0.00 177.39 175.49 2spo n LYS 50 N 4.63 0.82 -4.58 3.23 5.02 -1.26 -5.00 118.16 121.03 2spo n LYS 50 Ca 0.18 0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 2spo n LYS 50 Cb 0.33 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2spo n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2spo s THR 51 N -2.44 1.48 0.21 -0.18 -4.23 -1.26 -5.02 115.64 104.20 2spo s THR 51 Ca -0.20 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.48 2spo s THR 51 Cb 0.07 -2.74 0.11 0.00 1.34 0.00 0.00 72.50 71.27 2spo s THR 51 CO 0.63 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.36 2spo h GLU 52 N 1.82 0.00 -0.22 3.99 4.81 -1.99 -0.89 114.58 122.10 2spo h GLU 52 Ca -0.42 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.63 2spo h GLU 52 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2spo h GLU 52 CO 0.74 0.41 -0.58 0.00 -0.73 0.00 0.00 179.01 178.84 2spo h ALA 53 N 1.59 0.56 -0.61 2.92 0.00 -1.99 0.29 119.26 122.02 2spo h ALA 53 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2spo h ALA 53 Cb 0.90 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2spo h ALA 53 CO 0.05 0.69 0.06 0.93 0.00 0.00 0.00 179.25 180.99 2spo h GLU 54 N 0.53 1.02 -0.90 0.00 5.08 -1.63 -1.91 114.58 116.77 2spo h GLU 54 Ca 0.00 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2spo h GLU 54 Cb 1.17 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2spo h GLU 54 CO 0.12 0.96 0.54 0.52 -1.00 0.00 0.00 179.01 180.15 2spo h MET 55 N 0.95 1.22 -0.22 2.33 2.86 -0.64 -2.51 114.93 118.93 2spo h MET 55 Ca 0.18 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2spo h MET 55 Cb 0.46 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2spo h MET 55 CO 0.02 0.86 -0.26 0.87 1.06 0.00 0.00 176.91 179.46 2spo h LYS 56 N 1.23 0.41 -0.00 1.72 1.57 -0.75 -2.07 116.57 118.67 2spo h LYS 56 Ca 0.32 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2spo h LYS 56 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2spo h LYS 56 CO -0.06 0.64 -0.07 0.00 -0.57 0.00 0.00 179.45 179.39 2spo n ALA 57 N -2.48 2.69 -2.63 3.86 0.00 -0.74 -4.80 120.51 116.41 2spo n ALA 57 Ca -0.01 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2spo n ALA 57 Cb 0.40 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 2spo n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2spo s SER 58 N -2.40 6.80 0.13 0.00 0.15 -0.78 -4.87 113.70 112.72 2spo s SER 58 Ca 0.32 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.75 2spo s SER 58 Cb 0.20 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 2spo s SER 58 CO 0.45 -0.63 1.49 -0.08 1.20 0.00 0.00 173.24 175.67 2spo h GLU 59 N 7.91 0.85 -0.30 5.44 4.57 -1.88 -2.49 114.58 128.69 2spo h GLU 59 Ca -0.23 -0.40 0.07 0.00 -1.18 0.00 0.00 59.36 57.63 2spo h GLU 59 Cb 1.09 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.59 2spo h GLU 59 CO 0.91 1.04 -0.20 0.22 -1.18 0.00 0.00 179.01 179.79 2spo h ASP 60 N 0.66 -0.67 -0.99 1.04 3.58 -1.96 -0.91 116.42 117.16 2spo h ASP 60 Ca 0.08 0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.74 2spo h ASP 60 Cb 0.81 0.34 -0.07 0.00 1.72 0.00 0.00 39.33 42.13 2spo h ASP 60 CO 0.07 -0.24 0.63 0.25 -2.88 0.00 0.00 179.24 177.07 2spo h LEU 61 N -0.17 1.01 -0.77 2.28 5.85 -1.85 -1.28 115.31 120.38 2spo h LEU 61 Ca 0.16 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2spo h LEU 61 Cb 0.42 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2spo h LEU 61 CO -0.41 0.64 -0.08 0.50 -0.34 0.00 0.00 178.44 178.76 2spo h LYS 62 N 1.14 0.85 -0.49 1.25 3.64 -1.23 -0.48 116.57 121.25 2spo h LYS 62 Ca 0.43 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2spo h LYS 62 Cb 0.18 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2spo h LYS 62 CO -0.18 0.90 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.59 2spo h LYS 63 N 0.78 0.90 -0.37 1.90 3.64 -0.83 -2.29 116.57 120.29 2spo h LYS 63 Ca 0.13 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 2spo h LYS 63 Cb 0.57 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2spo h LYS 63 CO 0.04 0.95 -0.15 1.25 -2.27 0.00 0.00 179.45 179.26 2spo h HIS 64 N 0.81 0.75 -0.73 1.91 2.76 -0.80 -1.93 115.15 117.92 2spo h HIS 64 Ca 0.13 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2spo h HIS 64 Cb 0.61 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2spo h HIS 64 CO 0.04 0.79 0.35 0.78 -1.30 0.00 0.00 177.93 178.59 2spo h GLY 65 N 0.98 1.10 0.95 5.26 0.00 -0.66 -0.52 103.07 110.19 2spo h GLY 65 Ca 0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2spo h GLY 65 CO 0.04 0.50 0.12 -2.08 0.00 0.00 0.00 176.54 175.13 2spo h VAL 66 N 1.03 1.23 -0.61 4.60 2.07 -0.85 -1.20 116.25 122.52 2spo h VAL 66 Ca 0.25 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2spo h VAL 66 Cb 0.10 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2spo h VAL 66 CO -0.03 0.27 0.35 0.74 0.02 0.00 0.00 177.57 178.91 2spo h THR 67 N 0.56 1.01 -0.09 2.57 2.02 -0.81 0.17 112.91 118.34 2spo h THR 67 Ca 0.14 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2spo h THR 67 Cb 0.29 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2spo h THR 67 CO -0.00 0.12 0.05 0.58 0.37 0.00 0.00 175.52 176.64 2spo h VAL 68 N 0.66 1.08 -0.15 3.16 2.07 -0.88 -2.09 116.25 120.10 2spo h VAL 68 Ca 0.26 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.42 2spo h VAL 68 Cb 0.11 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2spo h VAL 68 CO -0.14 0.07 -0.53 -0.07 0.02 0.00 0.00 177.57 176.91 2spo h LEU 69 N 0.05 0.46 -0.36 2.57 3.38 -1.03 -1.37 115.31 119.01 2spo h LEU 69 Ca 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2spo h LEU 69 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2spo h LEU 69 CO -0.01 0.91 0.20 0.74 0.09 0.00 0.00 178.44 180.38 2spo h THR 70 N 0.33 1.13 -0.68 0.22 2.02 -0.93 0.24 112.91 115.25 2spo h THR 70 Ca 0.01 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 2spo h THR 70 Cb 1.04 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2spo h THR 70 CO 0.09 0.14 0.22 0.00 0.37 0.00 0.00 175.52 176.34 2spo h ALA 71 N 1.07 1.10 -0.41 6.16 0.00 -1.15 -1.68 119.26 124.36 2spo h ALA 71 Ca 0.13 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2spo h ALA 71 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2spo h ALA 71 CO -0.02 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.86 2spo h LEU 72 N 1.00 0.92 -0.70 0.00 5.85 -1.14 -2.74 115.31 118.51 2spo h LEU 72 Ca 0.22 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2spo h LEU 72 Cb 0.28 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2spo h LEU 72 CO -0.01 1.14 0.44 1.23 -0.34 0.00 0.00 178.44 180.89 2spo h GLY 73 N 0.71 1.01 2.00 3.75 0.00 -0.84 -0.01 103.07 109.69 2spo h GLY 73 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2spo h GLY 73 CO 0.07 0.27 -0.14 0.00 0.00 0.00 0.00 176.54 176.74 2spo h ALA 74 N 1.30 1.76 0.13 3.60 0.00 -1.13 -1.45 119.26 123.47 2spo h ALA 74 Ca 0.28 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 2spo h ALA 74 Cb 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.82 2spo h ALA 74 CO -0.11 0.18 -0.90 0.82 0.00 0.00 0.00 179.25 179.24 2spo h ILE 75 N 0.00 1.44 -0.18 0.00 2.04 -1.00 -3.15 117.51 116.67 2spo h ILE 75 Ca -0.00 -2.46 -0.06 0.00 1.00 0.00 0.00 64.86 63.34 2spo h ILE 75 Cb 0.26 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2spo h ILE 75 CO 0.02 0.71 -0.17 -0.07 0.00 0.00 0.00 178.15 178.64 2spo h LEU 76 N -0.18 0.29 -0.26 1.44 3.38 -0.80 -1.68 115.31 117.50 2spo h LEU 76 Ca -0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2spo h LEU 76 Cb 1.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2spo h LEU 76 CO 0.17 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.47 2spo n LYS 77 N -4.22 0.09 0.19 1.13 5.02 -0.57 -1.34 118.16 118.47 2spo n LYS 77 Ca -0.00 0.29 0.13 0.00 -2.02 0.00 0.00 58.31 56.71 2spo n LYS 77 Cb 0.31 -1.66 0.37 0.00 -0.02 0.00 0.00 35.03 34.03 2spo n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2spo h LYS 78 N 0.00 0.00 -5.63 1.97 1.79 -1.26 -3.48 116.57 109.96 2spo h LYS 78 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 2spo h LYS 78 Cb 0.35 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.14 2spo h LYS 78 CO 0.00 0.00 -0.66 1.63 -1.08 0.00 0.00 179.45 179.34 2spo n LYS 79 N -2.80 -7.55 0.00 3.15 5.02 -0.45 -1.80 118.16 113.73 2spo n LYS 79 Ca 0.03 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 2spo n LYS 79 Cb 0.43 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.69 2spo n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2spo n GLY 80 N -1.88 2.61 2.85 0.72 0.00 -1.26 -4.96 105.19 103.28 2spo n GLY 80 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2spo n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2spo n HIS 81 N -0.51 3.01 -0.19 1.61 8.25 -0.75 -4.63 115.22 122.00 2spo n HIS 81 Ca 0.00 -2.81 0.01 0.00 -0.26 0.00 0.00 57.72 54.66 2spo n HIS 81 Cb 0.00 -2.01 0.01 0.00 1.12 0.00 0.00 29.99 29.11 2spo n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2spo n HIS 82 N 4.10 0.00 -0.33 4.41 1.44 -1.26 -4.72 115.22 118.86 2spo n HIS 82 Ca 0.41 -0.49 0.21 0.00 -2.01 0.00 0.00 57.72 55.84 2spo n HIS 82 Cb 0.37 -0.05 0.41 0.00 0.12 0.00 0.00 29.99 30.83 2spo n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2spo h GLU 83 N 0.00 0.01 -0.20 -1.40 3.07 -2.00 -1.00 114.58 113.06 2spo h GLU 83 Ca 0.00 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 2spo h GLU 83 Cb 0.59 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2spo h GLU 83 CO 0.00 0.00 -0.37 0.00 -1.40 0.00 0.00 179.01 177.25 2spo h ALA 84 N 1.99 0.31 -0.37 3.43 0.00 -2.00 -2.80 119.26 119.82 2spo h ALA 84 Ca 0.70 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2spo h ALA 84 Cb 1.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2spo h ALA 84 CO -0.86 0.39 0.11 0.93 0.00 0.00 0.00 179.25 179.81 2spo h GLU 85 N 0.27 0.54 -0.05 0.00 3.07 -1.75 -3.27 114.58 113.39 2spo h GLU 85 Ca 0.01 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 58.66 2spo h GLU 85 Cb 0.96 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2spo h GLU 85 CO 0.08 0.48 -0.55 1.25 -1.40 0.00 0.00 179.01 178.87 2spo h LEU 86 N 0.53 0.15 0.13 1.33 5.85 -0.95 -3.36 115.31 119.00 2spo h LEU 86 Ca 0.13 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2spo h LEU 86 Cb 0.17 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2spo h LEU 86 CO -0.01 0.67 -0.32 0.11 -0.34 0.00 0.00 178.44 178.56 2spo h LYS 87 N 0.11 -0.53 -0.16 1.25 1.57 -1.57 -0.06 116.57 117.17 2spo h LYS 87 Ca -0.00 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2spo h LYS 87 Cb 1.01 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2spo h LYS 87 CO 0.08 -0.36 -0.16 -1.00 -0.57 0.00 0.00 179.45 177.45 2spo h PRO 88 N -0.55 0.27 -0.31 3.15 0.13 -1.77 -1.80 132.00 131.11 2spo h PRO 88 Ca 0.03 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2spo h PRO 88 Cb 0.58 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 2spo h PRO 88 CO -0.18 0.43 -0.43 1.25 -0.23 0.00 0.00 178.00 178.84 2spo h LEU 89 N 0.25 0.93 -0.56 1.56 5.85 -1.63 -1.87 115.31 119.84 2spo h LEU 89 Ca 0.05 -0.50 -0.14 0.00 0.84 0.00 0.00 57.88 58.13 2spo h LEU 89 Cb 0.43 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2spo h LEU 89 CO 0.03 1.25 -0.34 0.00 -0.34 0.00 0.00 178.44 179.03 2spo h ALA 90 N 0.71 0.74 -0.36 1.25 0.00 -0.92 -1.07 119.26 119.62 2spo h ALA 90 Ca 0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2spo h ALA 90 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2spo h ALA 90 CO 0.10 0.66 -0.10 0.37 0.00 0.00 0.00 179.25 180.28 2spo h GLN 91 N 0.66 0.70 -0.10 0.00 4.15 -1.25 0.43 115.11 119.70 2spo h GLN 91 Ca 0.07 -0.27 -0.16 0.00 0.77 0.00 0.00 58.65 59.05 2spo h GLN 91 Cb 0.88 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2spo h GLN 91 CO 0.08 0.86 -0.63 0.66 -1.93 0.00 0.00 178.83 177.88 2spo h SER 92 N 0.50 0.44 1.34 -0.69 4.64 -1.26 -0.35 113.55 118.17 2spo h SER 92 Ca 0.09 -0.26 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 2spo h SER 92 Cb 0.61 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2spo h SER 92 CO 0.04 0.95 -0.59 0.45 -0.87 0.00 0.00 176.83 176.81 2spo h HIS 93 N 0.28 0.00 0.07 4.77 3.86 -1.03 -0.85 115.15 122.25 2spo h HIS 93 Ca -0.01 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.91 2spo h HIS 93 Cb 1.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2spo h HIS 93 CO 0.04 0.59 -1.53 0.00 0.86 0.00 0.00 177.93 177.88 2spo h ALA 94 N 1.41 0.44 0.00 2.45 0.00 -0.83 0.92 119.26 123.65 2spo h ALA 94 Ca -0.01 -1.20 -0.39 0.00 0.00 0.00 0.00 54.91 53.31 2spo h ALA 94 Cb 1.42 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 2spo h ALA 94 CO 0.08 1.30 -2.41 2.41 0.00 0.00 0.00 179.25 180.62 2spo n THR 95 N -3.33 1.41 -0.09 0.00 -1.04 -0.15 -3.53 114.28 107.55 2spo n THR 95 Ca -0.15 -0.47 -0.18 0.00 -2.04 0.00 0.00 64.05 61.20 2spo n THR 95 Cb 1.03 -1.54 -0.11 0.00 -1.82 0.00 0.00 70.33 67.88 2spo n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2spo h LYS 96 N -0.34 0.00 0.02 -2.82 3.64 -1.41 -3.42 116.57 112.23 2spo h LYS 96 Ca -0.59 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.51 2spo h LYS 96 Cb 1.74 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.52 2spo h LYS 96 CO -0.20 0.94 -1.61 0.45 -2.27 0.00 0.00 179.45 176.76 2spo h HIS 97 N -1.00 0.06 -4.91 1.91 3.86 -1.35 -3.49 115.15 110.24 2spo h HIS 97 Ca -0.22 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2spo h HIS 97 Cb 1.16 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2spo h HIS 97 CO 0.14 1.08 -0.05 1.63 0.86 0.00 0.00 177.93 181.59 2spo n LYS 98 N -3.15 -1.18 -3.81 2.45 4.01 -0.17 -4.98 118.16 111.33 2spo n LYS 98 Ca -0.15 1.37 -0.36 0.00 -0.51 0.00 0.00 58.31 58.66 2spo n LYS 98 Cb 1.03 -4.94 -0.13 0.00 -0.51 0.00 0.00 35.03 30.48 2spo n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2spo s ILE 99 N -2.91 3.85 0.51 -0.18 -1.09 0.14 -5.02 121.20 116.50 2spo s ILE 99 Ca 0.03 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 57.80 2spo s ILE 99 Cb -0.01 -2.84 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 2spo s ILE 99 CO 0.61 0.30 1.11 -2.16 -1.23 0.00 0.00 174.94 173.56 2spo s PRO 100 N 1.53 3.57 0.38 2.79 0.04 -1.26 -4.79 135.00 137.26 2spo s PRO 100 Ca 0.05 1.57 0.12 0.00 0.04 0.00 0.00 61.00 62.78 2spo s PRO 100 Cb -0.15 -2.12 0.92 0.00 0.04 0.00 0.00 34.50 33.19 2spo s PRO 100 CO 0.01 -0.66 1.86 0.82 0.04 0.00 0.00 177.00 179.07 2spo h ILE 101 N 1.44 0.77 -0.59 0.56 1.08 -1.21 0.29 117.51 119.86 2spo h ILE 101 Ca -0.50 -0.20 0.11 0.00 -0.39 0.00 0.00 64.86 63.88 2spo h ILE 101 Cb 1.25 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2spo h ILE 101 CO 0.58 0.11 0.40 0.50 -0.69 0.00 0.00 178.15 179.05 2spo h LYS 102 N 0.58 0.35 0.00 2.37 3.64 -1.92 -0.53 116.57 121.06 2spo h LYS 102 Ca 0.45 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.71 2spo h LYS 102 Cb 0.88 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2spo h LYS 102 CO -0.20 0.23 -0.52 1.88 -2.27 0.00 0.00 179.45 178.57 2spo h TYR 103 N 0.36 0.00 0.00 1.91 -1.99 -1.29 -1.49 116.97 114.46 2spo h TYR 103 Ca 0.28 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.91 2spo h TYR 103 Cb 0.61 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 2spo h TYR 103 CO -0.00 0.52 -0.48 -0.07 -0.00 0.00 0.00 178.16 178.13 2spo h LEU 104 N 0.00 0.00 -0.36 3.88 3.38 -1.06 -1.78 115.31 119.37 2spo h LEU 104 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2spo h LEU 104 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2spo h LEU 104 CO 0.07 0.48 -0.28 -0.33 0.09 0.00 0.00 178.44 178.47 2spo h GLU 105 N 0.00 0.82 -0.92 1.13 5.08 -0.59 -1.67 114.58 118.42 2spo h GLU 105 Ca -0.00 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2spo h GLU 105 Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2spo h GLU 105 CO 0.06 1.04 0.54 0.74 -1.00 0.00 0.00 179.01 180.39 2spo h PHE 106 N 0.61 1.23 0.00 4.33 0.04 -1.05 -1.62 116.94 120.48 2spo h PHE 106 Ca 0.07 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 2spo h PHE 106 Cb 0.85 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 2spo h PHE 106 CO 0.06 0.83 -0.51 0.97 -0.60 0.00 0.00 178.31 179.07 2spo h ILE 107 N 1.28 1.12 -0.79 -0.55 2.10 -1.19 -2.10 117.51 117.38 2spo h ILE 107 Ca 0.33 -1.91 -0.01 0.00 1.08 0.00 0.00 64.86 64.35 2spo h ILE 107 Cb -0.02 2.10 -0.04 0.00 -1.09 0.00 0.00 36.82 37.77 2spo h ILE 107 CO -0.06 0.50 0.44 0.28 -1.08 0.00 0.00 178.15 178.23 2spo h SER 108 N 0.00 0.98 -0.73 2.19 0.02 -0.60 -0.20 113.55 115.21 2spo h SER 108 Ca -0.01 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2spo h SER 108 Cb 1.06 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2spo h SER 108 CO 0.07 0.79 0.34 -0.08 -1.14 0.00 0.00 176.83 176.81 2spo h GLU 109 N 1.10 1.06 -0.29 3.45 4.81 -1.08 -1.77 114.58 121.86 2spo h GLU 109 Ca 0.28 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 2spo h GLU 109 Cb 0.02 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2spo h GLU 109 CO -0.05 0.84 -0.17 0.00 -0.73 0.00 0.00 179.01 178.90 2spo h ALA 110 N 1.17 1.17 -0.37 2.92 0.00 -0.69 -0.81 119.26 122.65 2spo h ALA 110 Ca 0.25 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2spo h ALA 110 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2spo h ALA 110 CO -0.03 0.53 -0.32 0.82 0.00 0.00 0.00 179.25 180.25 2spo h ILE 111 N 0.47 1.28 -0.36 0.00 2.04 -0.67 -1.59 117.51 118.68 2spo h ILE 111 Ca 0.08 -1.48 -0.11 0.00 1.00 0.00 0.00 64.86 64.34 2spo h ILE 111 Cb 0.57 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2spo h ILE 111 CO 0.04 0.49 -0.24 0.40 0.00 0.00 0.00 178.15 178.84 2spo h ILE 112 N 0.67 1.27 -0.05 -0.67 2.04 -1.20 -0.91 117.51 118.66 2spo h ILE 112 Ca 0.07 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 2spo h ILE 112 Cb 0.90 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2spo h ILE 112 CO 0.08 0.44 0.02 -0.74 0.00 0.00 0.00 178.15 177.95 2spo h HIS 113 N 0.63 0.07 -0.69 1.37 2.76 -0.91 -0.97 115.15 117.41 2spo h HIS 113 Ca 0.09 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2spo h HIS 113 Cb 0.73 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 2spo h HIS 113 CO 0.04 0.22 0.13 0.28 -1.30 0.00 0.00 177.93 177.30 2spo h VAL 114 N -0.10 1.26 -0.44 5.26 2.07 -1.08 -1.20 116.25 122.03 2spo h VAL 114 Ca 0.02 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 2spo h VAL 114 Cb 0.18 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2spo h VAL 114 CO -0.00 0.39 -0.18 -0.07 0.02 0.00 0.00 177.57 177.73 2spo h LEU 115 N 1.06 0.86 -1.01 2.57 3.38 -0.95 -0.59 115.31 120.62 2spo h LEU 115 Ca 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2spo h LEU 115 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2spo h LEU 115 CO 0.01 1.02 0.29 -0.74 0.09 0.00 0.00 178.44 179.11 2spo h HIS 116 N 0.75 1.01 0.00 1.13 2.76 -1.02 -0.30 115.15 119.48 2spo h HIS 116 Ca 0.11 -0.06 -0.19 0.00 -2.20 0.00 0.00 60.37 58.04 2spo h HIS 116 Cb 0.70 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 2spo h HIS 116 CO 0.04 0.76 -0.88 1.03 -1.30 0.00 0.00 177.93 177.58 2spo h SER 117 N 0.99 0.05 0.23 3.26 0.87 -0.67 -3.27 113.55 115.01 2spo h SER 117 Ca 0.23 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.52 2spo h SER 117 Cb 0.16 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 2spo h SER 117 CO -0.02 0.91 -1.99 0.54 -0.53 0.00 0.00 176.83 175.73 2spo n ARG 118 N -3.53 0.66 -2.73 2.24 1.74 -0.28 -4.49 116.66 110.28 2spo n ARG 118 Ca -0.01 0.04 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 2spo n ARG 118 Cb 0.83 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 30.65 2spo n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2spo n HIS 119 N -2.70 2.75 -0.33 -1.55 8.25 -0.13 -4.94 115.22 116.56 2spo n HIS 119 Ca -0.19 -3.38 0.10 0.00 -0.26 0.00 0.00 57.72 53.99 2spo n HIS 119 Cb 0.94 -0.29 0.31 0.00 1.12 0.00 0.00 29.99 32.06 2spo n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2spo h PRO 120 N 2.82 0.82 0.00 -0.41 0.13 -1.73 0.36 132.00 133.99 2spo h PRO 120 Ca 0.15 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.13 2spo h PRO 120 Cb 0.86 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 2spo h PRO 120 CO 0.73 0.54 -0.47 0.78 -0.23 0.00 0.00 178.00 179.35 2spo h GLY 121 N 0.84 0.00 -1.85 1.56 0.00 -1.92 -2.79 103.07 98.91 2spo h GLY 121 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2spo h GLY 121 CO -0.27 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.97 2spo n ASN 122 N -3.64 3.06 -2.69 0.19 3.02 -0.42 -4.59 115.26 110.20 2spo n ASN 122 Ca -0.01 -1.89 -0.20 0.00 -0.03 0.00 0.00 54.58 52.45 2spo n ASN 122 Cb 0.55 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 2spo n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2spo n PHE 123 N 1.17 2.40 -0.36 3.10 7.35 -0.02 -4.72 117.46 126.39 2spo n PHE 123 Ca 0.15 -3.22 0.00 0.00 -0.76 0.00 0.00 57.45 53.62 2spo n PHE 123 Cb 0.52 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.07 2spo n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2spo n GLY 124 N -0.22 -2.37 0.21 7.13 0.00 -1.25 -4.66 105.19 104.03 2spo n GLY 124 Ca 0.26 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2spo n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2spo h ALA 125 N -2.00 0.56 -0.43 4.61 0.00 -1.98 -0.36 119.26 119.66 2spo h ALA 125 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2spo h ALA 125 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2spo h ALA 125 CO 0.00 0.24 0.07 -0.44 0.00 0.00 0.00 179.25 179.12 2spo h ASP 126 N 0.56 0.68 -0.73 0.00 3.32 -1.99 -0.04 116.42 118.22 2spo h ASP 126 Ca 0.14 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2spo h ASP 126 Cb 0.31 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2spo h ASP 126 CO 0.00 0.77 0.27 0.00 -1.72 0.00 0.00 179.24 178.56 2spo h ALA 127 N 0.94 1.08 -0.61 3.45 0.00 -1.82 -1.29 119.26 121.01 2spo h ALA 127 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2spo h ALA 127 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2spo h ALA 127 CO 0.01 0.64 0.16 0.37 0.00 0.00 0.00 179.25 180.43 2spo h GLN 128 N 1.08 0.97 -0.57 0.00 4.15 -0.78 -0.69 115.11 119.28 2spo h GLN 128 Ca 0.24 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2spo h GLN 128 Cb 0.24 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2spo h GLN 128 CO -0.02 0.88 0.36 0.78 -1.93 0.00 0.00 178.83 178.90 2spo h GLY 129 N 0.88 0.80 1.16 2.39 0.00 -0.68 -0.21 103.07 107.42 2spo h GLY 129 Ca 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2spo h GLY 129 CO -0.00 0.26 0.27 0.00 0.00 0.00 0.00 176.54 177.07 2spo h ALA 130 N 1.22 1.12 -0.50 3.60 0.00 -0.98 -0.80 119.26 122.93 2spo h ALA 130 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2spo h ALA 130 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2spo h ALA 130 CO -0.07 0.62 0.08 1.98 0.00 0.00 0.00 179.25 181.86 2spo h MET 131 N 1.04 0.82 -0.82 0.00 -1.53 -0.90 -0.32 114.93 113.22 2spo h MET 131 Ca 0.24 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 2spo h MET 131 Cb 0.23 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 2spo h MET 131 CO -0.02 0.82 0.48 -0.97 0.14 0.00 0.00 176.91 177.37 2spo h ASN 132 N 0.70 1.00 -0.58 1.39 -1.24 -0.89 -0.47 115.58 115.47 2spo h ASN 132 Ca 0.15 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 2spo h ASN 132 Cb 0.40 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2spo h ASN 132 CO 0.01 0.78 0.27 0.11 -1.29 0.00 0.00 177.43 177.31 2spo h LYS 133 N 1.13 0.85 -0.63 6.67 1.57 -0.79 0.59 116.57 125.96 2spo h LYS 133 Ca 0.29 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2spo h LYS 133 Cb -0.02 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2spo h LYS 133 CO -0.05 0.71 0.20 0.00 -0.57 0.00 0.00 179.45 179.73 2spo h ALA 134 N 1.10 1.15 0.01 3.86 0.00 -0.76 -0.30 119.26 124.33 2spo h ALA 134 Ca 0.20 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2spo h ALA 134 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2spo h ALA 134 CO -0.02 0.59 -0.91 -0.07 0.00 0.00 0.00 179.25 178.84 2spo h LEU 135 N 0.93 0.28 -0.69 0.00 3.38 -0.82 -1.31 115.31 117.08 2spo h LEU 135 Ca 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2spo h LEU 135 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2spo h LEU 135 CO -0.01 1.05 0.24 -0.33 0.09 0.00 0.00 178.44 179.48 2spo h GLU 136 N 0.11 1.06 0.04 1.13 5.08 -0.65 -0.69 114.58 120.66 2spo h GLU 136 Ca -0.05 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2spo h GLU 136 Cb 1.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2spo h GLU 136 CO 0.14 0.90 -0.08 1.25 -1.00 0.00 0.00 179.01 180.22 2spo h LEU 137 N 1.00 -0.23 -0.22 1.33 5.85 -0.81 0.33 115.31 122.56 2spo h LEU 137 Ca 0.23 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.03 2spo h LEU 137 Cb 0.27 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2spo h LEU 137 CO -0.01 -0.12 -0.26 0.15 -0.34 0.00 0.00 178.44 177.85 2spo h PHE 138 N -0.16 -0.71 -0.96 1.25 3.57 -1.06 -1.35 116.94 117.51 2spo h PHE 138 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2spo h PHE 138 Cb 0.18 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2spo h PHE 138 CO -0.13 -0.34 0.61 0.00 -2.23 0.00 0.00 178.31 176.22 2spo h ARG 139 N -0.29 1.28 -0.40 1.11 3.08 -0.89 -0.48 114.38 117.79 2spo h ARG 139 Ca 0.13 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2spo h ARG 139 Cb 0.48 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2spo h ARG 139 CO -0.38 0.86 0.01 -0.22 -1.07 0.00 0.00 179.97 179.17 2spo h LYS 140 N 1.31 0.70 -0.30 0.04 3.64 -0.65 0.12 116.57 121.44 2spo h LYS 140 Ca 0.35 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2spo h LYS 140 Cb -0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2spo h LYS 140 CO -0.07 0.78 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.14 2spo h ASP 141 N 0.54 0.64 -0.33 4.20 5.19 -1.13 -1.25 116.42 124.28 2spo h ASP 141 Ca 0.12 -0.25 -0.09 0.00 -0.62 0.00 0.00 57.03 56.18 2spo h ASP 141 Cb 0.46 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2spo h ASP 141 CO 0.02 0.91 -0.15 0.40 -3.12 0.00 0.00 179.24 177.30 2spo h ILE 142 N 0.53 1.29 -0.75 0.35 1.08 -1.00 -2.15 117.51 116.85 2spo h ILE 142 Ca 0.06 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2spo h ILE 142 Cb 0.79 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 2spo h ILE 142 CO 0.07 0.41 0.48 0.00 -0.69 0.00 0.00 178.15 178.41 2spo h ALA 143 N 0.78 1.43 -0.40 1.87 0.00 -0.76 0.81 119.26 122.99 2spo h ALA 143 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2spo h ALA 143 Cb 0.68 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2spo h ALA 143 CO 0.05 0.51 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 2spo h ALA 144 N 1.51 1.06 -0.34 0.00 0.00 -1.03 -2.17 119.26 118.28 2spo h ALA 144 Ca 0.27 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2spo h ALA 144 Cb -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2spo h ALA 144 CO -0.06 0.58 -0.44 0.87 0.00 0.00 0.00 179.25 180.20 2spo h LYS 145 N 0.64 0.87 -0.52 0.00 1.79 -0.89 -2.50 116.57 115.96 2spo h LYS 145 Ca 0.11 -0.49 0.08 0.00 -2.18 0.00 0.00 60.65 58.18 2spo h LYS 145 Cb 0.56 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.18 2spo h LYS 145 CO 0.04 1.13 0.15 1.88 -1.08 0.00 0.00 179.45 181.56 2spo h TYR 146 N 0.70 0.25 0.03 -1.35 -1.99 -0.53 0.07 116.97 114.15 2spo h TYR 146 Ca 0.05 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.83 2spo h TYR 146 Cb 1.03 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.68 2spo h TYR 146 CO 0.06 0.04 -0.29 0.87 -0.00 0.00 0.00 178.16 178.85 2spo h LYS 147 N 0.30 -0.43 -0.29 4.88 6.56 -1.17 0.00 116.57 126.42 2spo h LYS 147 Ca 0.26 0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.95 2spo h LYS 147 Cb 0.33 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2spo h LYS 147 CO -0.30 -0.29 0.21 0.93 -2.06 0.00 0.00 179.45 177.93 2spo h GLU 148 N -0.45 0.06 0.00 3.15 5.08 -0.95 -1.76 114.58 119.71 2spo h GLU 148 Ca 0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2spo h GLU 148 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2spo h GLU 148 CO -0.22 0.04 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.53 2spo h LEU 149 N 0.06 0.00 0.00 1.33 3.38 -0.09 -3.47 115.31 116.52 2spo h LEU 149 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2spo h LEU 149 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2spo h LEU 149 CO -0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2spo n GLY 150 N 1.19 1.19 3.15 0.83 0.00 -0.24 -5.05 105.19 106.26 2spo n GLY 150 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2spo n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2spo s TYR 151 N -2.00 2.60 0.05 1.61 5.04 -0.18 -5.01 117.35 119.47 2spo s TYR 151 Ca 0.00 -1.35 -0.31 0.00 -2.44 0.00 0.00 57.07 52.97 2spo s TYR 151 Cb 0.00 -1.79 -0.06 0.00 0.35 0.00 0.00 41.96 40.46 2spo s TYR 151 CO 0.00 -0.63 1.31 -1.14 -1.34 0.00 0.00 175.55 173.75 2spo s GLN 152 N 0.93 4.35 0.00 4.97 -0.44 -1.26 -3.70 119.66 124.50 2spo s GLN 152 Ca -0.05 1.91 0.00 0.00 -2.50 0.00 0.00 55.36 54.72 2spo s GLN 152 Cb -0.15 -3.39 0.00 0.00 -1.64 0.00 0.00 33.01 27.83 2spo s GLN 152 CO -0.04 -0.42 0.49 0.41 0.50 0.00 0.00 175.29 176.24