#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o16 s MET 20 N 0.00 4.19 -0.03 1.47 0.23 -1.26 -4.91 119.30 119.00 2o16 s MET 20 Ca 0.00 2.22 -0.30 0.00 -1.03 0.00 0.00 55.69 56.58 2o16 s MET 20 Cb 0.00 -2.95 -0.04 0.00 -1.53 0.00 0.00 34.83 30.31 2o16 s MET 20 CO 0.00 -0.33 1.32 0.42 -2.03 0.00 0.00 175.02 174.40 2o16 s ILE 21 N -1.19 3.95 0.33 3.16 -1.09 -1.26 -5.00 121.20 120.11 2o16 s ILE 21 Ca 0.52 1.30 0.07 0.00 -2.23 0.00 0.00 60.65 60.31 2o16 s ILE 21 Cb -0.40 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2o16 s ILE 21 CO 0.52 -0.01 0.38 -0.54 -1.23 0.00 0.00 174.94 174.07 2o16 s LYS 22 N 2.37 2.96 0.26 2.79 -0.14 -1.26 -1.70 119.74 125.01 2o16 s LYS 22 Ca 0.60 -1.12 -0.03 0.00 -1.36 0.00 0.00 55.97 54.07 2o16 s LYS 22 Cb -0.28 -2.67 0.52 0.00 -1.68 0.00 0.00 37.83 33.72 2o16 s LYS 22 CO 0.24 0.10 1.71 0.28 -0.76 0.00 0.00 175.35 176.92 2o16 h VAL 23 N 1.07 0.57 0.00 3.17 2.07 -0.75 -1.14 116.25 121.24 2o16 h VAL 23 Ca -0.46 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2o16 h VAL 23 Cb 1.25 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2o16 h VAL 23 CO 0.56 0.07 -0.16 1.05 0.02 0.00 0.00 177.57 179.10 2o16 h GLU 24 N 0.38 0.00 0.00 1.57 4.11 -1.39 -0.70 114.58 118.55 2o16 h GLU 24 Ca 0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.85 2o16 h GLU 24 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2o16 h GLU 24 CO -0.47 0.16 -0.15 -0.44 0.07 0.00 0.00 179.01 178.18 2o16 h ASP 25 N 0.00 0.00 0.00 3.06 3.32 -1.47 -3.30 116.42 118.02 2o16 h ASP 25 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2o16 h ASP 25 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2o16 h ASP 25 CO 0.02 0.15 0.00 0.23 -1.72 0.00 0.00 179.24 177.92 2o16 n MET 26 N -3.49 -0.22 -1.43 3.56 2.81 -0.90 -5.02 117.12 112.43 2o16 n MET 26 Ca -0.01 -0.45 -0.31 0.00 -1.81 0.00 0.00 57.70 55.12 2o16 n MET 26 Cb 0.31 -0.82 0.07 0.00 -0.71 0.00 0.00 33.22 32.08 2o16 n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2o16 s MET 27 N -0.10 2.56 -0.18 0.03 0.23 -0.32 -4.97 119.30 116.55 2o16 s MET 27 Ca 0.00 1.13 -0.29 0.00 -1.03 0.00 0.00 55.69 55.49 2o16 s MET 27 Cb 0.00 -1.94 -0.00 0.00 -1.53 0.00 0.00 34.83 31.36 2o16 s MET 27 CO 0.00 -1.41 1.11 0.99 -2.03 0.00 0.00 175.02 173.68 2o16 s THR 28 N -2.88 4.55 0.47 3.16 2.01 0.01 -4.90 115.64 118.07 2o16 s THR 28 Ca 0.61 1.86 -0.02 0.00 0.31 0.00 0.00 61.69 64.45 2o16 s THR 28 Cb -0.16 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2o16 s THR 28 CO 0.54 -0.12 0.72 -0.13 -0.69 0.00 0.00 174.62 174.94 2o16 s ARG 29 N 2.99 3.17 -1.33 4.92 0.52 -1.26 -1.36 118.95 126.60 2o16 s ARG 29 Ca 0.49 -0.25 -0.03 0.00 -0.52 0.00 0.00 55.73 55.42 2o16 s ARG 29 Cb -0.18 -2.48 -0.00 0.00 0.52 0.00 0.00 34.95 32.81 2o16 s ARG 29 CO 0.12 -0.29 0.57 0.72 0.02 0.00 0.00 175.30 176.43 2o16 n HIS 30 N -2.18 -1.78 -1.87 -0.53 8.25 -1.26 -4.88 115.22 110.97 2o16 n HIS 30 Ca 0.01 0.73 -0.38 0.00 -0.26 0.00 0.00 57.72 57.83 2o16 n HIS 30 Cb 0.57 -3.92 0.04 0.00 1.12 0.00 0.00 29.99 27.80 2o16 n HIS 30 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o16 s PRO 31 N -6.25 3.16 -0.02 -0.41 0.04 -1.26 -4.94 135.00 125.32 2o16 s PRO 31 Ca 0.07 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 2o16 s PRO 31 Cb -0.03 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2o16 s PRO 31 CO 0.86 -1.14 1.13 -1.01 0.04 0.00 0.00 177.00 176.88 2o16 s HIS 32 N -1.37 3.40 0.38 0.56 3.76 -1.26 -5.03 115.29 115.72 2o16 s HIS 32 Ca 0.72 1.39 0.05 0.00 -0.15 0.00 0.00 55.06 57.07 2o16 s HIS 32 Cb -0.37 -3.33 -0.07 0.00 1.11 0.00 0.00 32.58 29.92 2o16 s HIS 32 CO 0.44 -0.90 0.03 0.95 -0.85 0.00 0.00 174.74 174.41 2o16 s THR 33 N 1.61 1.61 0.17 1.30 -4.23 -1.26 -4.26 115.64 110.57 2o16 s THR 33 Ca 0.55 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2o16 s THR 33 Cb -0.24 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 2o16 s THR 33 CO 0.25 0.00 0.03 -0.76 -0.54 0.00 0.00 174.62 173.59 2o16 s LEU 34 N -3.62 1.97 0.47 4.79 1.43 -1.04 -5.01 118.68 117.68 2o16 s LEU 34 Ca 0.35 -1.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2o16 s LEU 34 Cb 0.09 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.39 2o16 s LEU 34 CO 0.17 -0.63 0.67 -0.76 0.23 0.00 0.00 176.35 176.02 2o16 s LEU 35 N -3.14 3.55 0.59 1.79 1.43 -1.26 -1.84 118.68 119.79 2o16 s LEU 35 Ca 0.25 0.03 0.38 0.00 -1.03 0.00 0.00 54.13 53.76 2o16 s LEU 35 Cb 0.07 -2.94 1.90 0.00 0.03 0.00 0.00 46.19 45.25 2o16 s LEU 35 CO 0.04 -0.84 2.16 0.08 0.23 0.00 0.00 176.35 178.02 2o16 h ARG 36 N 0.37 0.00 -0.13 1.70 0.11 -1.95 -2.40 114.38 112.08 2o16 h ARG 36 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2o16 h ARG 36 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2o16 h ARG 36 CO 0.53 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.85 2o16 n THR 37 N -3.00 0.27 -0.71 0.08 -2.24 -1.26 -1.61 114.28 105.81 2o16 n THR 37 Ca -0.01 -0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 2o16 n THR 37 Cb 0.16 1.08 0.22 0.00 -2.10 0.00 0.00 70.33 69.70 2o16 n THR 37 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2o16 s HIS 38 N -1.13 1.58 0.30 4.78 3.76 -0.90 -4.77 115.29 118.90 2o16 s HIS 38 Ca 0.20 1.28 0.07 0.00 -0.15 0.00 0.00 55.06 56.46 2o16 s HIS 38 Cb 0.13 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 2o16 s HIS 38 CO 0.18 -3.44 0.24 0.95 -0.85 0.00 0.00 174.74 171.83 2o16 s THR 39 N -2.60 3.83 0.26 1.30 -4.23 -1.26 -1.15 115.64 111.79 2o16 s THR 39 Ca 0.67 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 2o16 s THR 39 Cb -0.23 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.67 2o16 s THR 39 CO 0.62 -0.25 1.62 0.25 -0.54 0.00 0.00 174.62 176.33 2o16 h LEU 40 N 1.37 -0.38 -0.78 4.79 6.46 -1.00 -0.39 115.31 125.40 2o16 h LEU 40 Ca -0.46 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2o16 h LEU 40 Cb 1.25 0.37 -0.04 0.00 -0.73 0.00 0.00 40.66 41.51 2o16 h LEU 40 CO 0.59 -0.21 0.45 -1.13 -0.62 0.00 0.00 178.44 177.53 2o16 h ASN 41 N 0.09 0.94 -0.59 1.25 -1.24 -1.46 -0.18 115.58 114.39 2o16 h ASN 41 Ca 0.44 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.43 2o16 h ASN 41 Cb 0.80 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.56 2o16 h ASN 41 CO -0.71 0.74 0.32 0.44 -1.29 0.00 0.00 177.43 176.93 2o16 h ASP 42 N 1.06 0.48 -0.52 1.15 3.32 -1.39 -0.12 116.42 120.41 2o16 h ASP 42 Ca 0.28 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2o16 h ASP 42 Cb -0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2o16 h ASP 42 CO -0.05 0.32 0.16 0.00 -1.72 0.00 0.00 179.24 177.95 2o16 h ALA 43 N 1.30 0.68 -0.39 3.45 0.00 -0.81 -0.78 119.26 122.71 2o16 h ALA 43 Ca 0.26 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2o16 h ALA 43 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2o16 h ALA 43 CO -0.16 0.34 0.13 -0.22 0.00 0.00 0.00 179.25 179.34 2o16 h LYS 44 N 0.71 0.27 -0.55 0.00 3.64 -0.59 -0.80 116.57 119.26 2o16 h LYS 44 Ca 0.17 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2o16 h LYS 44 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2o16 h LYS 44 CO -0.00 0.18 -0.10 0.45 -2.27 0.00 0.00 179.45 177.71 2o16 h HIS 45 N 0.28 1.14 -0.32 1.91 3.86 -0.79 -0.98 115.15 120.25 2o16 h HIS 45 Ca 0.18 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2o16 h HIS 45 Cb 0.17 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2o16 h HIS 45 CO -0.16 1.05 0.12 1.25 0.86 0.00 0.00 177.93 181.05 2o16 h LEU 46 N 0.91 0.44 -0.59 2.43 5.85 -0.90 0.11 115.31 123.57 2o16 h LEU 46 Ca 0.14 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2o16 h LEU 46 Cb 0.66 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2o16 h LEU 46 CO 0.05 0.50 0.38 0.24 -0.34 0.00 0.00 178.44 179.26 2o16 h MET 47 N 0.36 0.74 -0.37 1.25 2.86 -1.00 0.79 114.93 119.55 2o16 h MET 47 Ca 0.10 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2o16 h MET 47 Cb 0.20 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2o16 h MET 47 CO -0.01 0.49 0.18 0.93 1.06 0.00 0.00 176.91 179.56 2o16 h GLU 48 N 0.76 0.53 -0.69 1.72 5.08 -0.97 0.21 114.58 121.22 2o16 h GLU 48 Ca 0.22 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2o16 h GLU 48 Cb -0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2o16 h GLU 48 CO -0.07 0.48 0.14 0.00 -1.00 0.00 0.00 179.01 178.56 2o16 h ALA 49 N 1.03 0.95 -0.01 3.43 0.00 -0.47 -3.20 119.26 120.98 2o16 h ALA 49 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2o16 h ALA 49 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2o16 h ALA 49 CO -0.02 0.66 -0.44 1.28 0.00 0.00 0.00 179.25 180.74 2o16 n LEU 50 N -4.22 1.47 -3.57 0.00 4.77 0.25 -4.97 117.00 110.72 2o16 n LEU 50 Ca 0.05 -0.50 -0.21 0.00 -0.03 0.00 0.00 56.01 55.32 2o16 n LEU 50 Cb 0.27 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2o16 n LEU 50 CO 0.43 0.28 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.07 2o16 n ASP 51 N -0.48 -3.04 -4.25 -1.43 2.03 0.67 -5.01 116.55 105.04 2o16 n ASP 51 Ca 0.10 -0.80 -0.17 0.00 0.52 0.00 0.00 54.79 54.43 2o16 n ASP 51 Cb 0.40 -4.33 -0.11 0.00 -0.72 0.00 0.00 41.12 36.36 2o16 n ASP 51 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2o16 s ILE 52 N -3.54 1.33 -0.80 5.18 -4.36 -0.87 -5.06 121.20 113.09 2o16 s ILE 52 Ca 0.17 -1.83 0.21 0.00 -0.26 0.00 0.00 60.65 58.94 2o16 s ILE 52 Cb -0.04 -1.64 -0.25 0.00 1.25 0.00 0.00 42.46 41.79 2o16 s ILE 52 CO 0.79 -0.50 0.83 0.54 0.24 0.00 0.00 174.94 176.84 2o16 n ARG 53 N 0.30 0.13 -4.27 0.37 1.74 -1.26 -4.64 116.66 109.04 2o16 n ARG 53 Ca -0.14 -0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.73 2o16 n ARG 53 Cb 0.58 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.38 2o16 n ARG 53 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2o16 s HIS 54 N -3.11 0.80 -0.09 -1.55 3.76 -1.26 -0.30 115.29 113.54 2o16 s HIS 54 Ca 0.05 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2o16 s HIS 54 Cb 0.16 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 33.37 2o16 s HIS 54 CO 0.87 -0.01 -0.07 0.08 -0.85 0.00 0.00 174.74 174.76 2o16 s VAL 55 N -0.53 0.90 0.33 -0.90 1.01 -0.20 -4.99 120.40 116.02 2o16 s VAL 55 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 2o16 s VAL 55 Cb -0.05 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 2o16 s VAL 55 CO 0.00 0.34 1.01 -2.16 0.00 0.00 0.00 175.10 174.28 2o16 s PRO 56 N 1.46 4.49 -0.21 2.72 0.04 -1.26 -1.84 135.00 140.41 2o16 s PRO 56 Ca -0.00 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 2o16 s PRO 56 Cb -0.13 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2o16 s PRO 56 CO -0.05 0.16 0.05 0.42 0.04 0.00 0.00 177.00 177.62 2o16 s ILE 57 N -1.49 4.38 0.34 0.56 -1.09 0.52 -2.48 121.20 121.94 2o16 s ILE 57 Ca 0.50 -0.16 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 2o16 s ILE 57 Cb -0.23 -3.00 -0.07 0.00 -1.58 0.00 0.00 42.46 37.58 2o16 s ILE 57 CO 0.29 0.41 -0.02 0.68 -1.23 0.00 0.00 174.94 175.07 2o16 s VAL 58 N 0.94 1.78 0.27 2.92 -7.23 -0.77 -0.28 120.40 118.03 2o16 s VAL 58 Ca 0.03 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2o16 s VAL 58 Cb -0.14 -2.74 0.05 0.00 0.56 0.00 0.00 36.38 34.12 2o16 s VAL 58 CO 0.02 -0.12 0.37 -0.90 -0.31 0.00 0.00 175.10 174.16 2o16 n ASP 59 N -0.77 0.45 -0.30 4.85 5.68 -0.27 -4.03 116.55 122.17 2o16 n ASP 59 Ca -0.04 -1.39 0.11 0.00 -0.50 0.00 0.00 54.79 52.96 2o16 n ASP 59 Cb 0.65 -0.24 0.34 0.00 -1.14 0.00 0.00 41.12 40.73 2o16 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2o16 h ALA 60 N -0.61 1.75 -0.21 2.12 0.00 -2.00 -1.86 119.26 118.46 2o16 h ALA 60 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2o16 h ALA 60 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2o16 h ALA 60 CO 0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2o16 n ASN 61 N -4.59 2.34 -2.23 0.00 3.02 -1.26 -4.87 115.26 107.67 2o16 n ASN 61 Ca 0.18 -2.25 -0.16 0.00 -0.03 0.00 0.00 54.58 52.32 2o16 n ASN 61 Cb 0.45 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2o16 n ASN 61 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2o16 n LYS 62 N 0.22 -1.87 -2.70 3.52 5.02 -0.70 -4.84 118.16 116.82 2o16 n LYS 62 Ca 0.09 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.78 2o16 n LYS 62 Cb 0.49 -5.37 -0.04 0.00 -0.02 0.00 0.00 35.03 30.09 2o16 n LYS 62 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2o16 s LYS 63 N -4.70 4.70 0.02 1.97 2.20 -1.26 -0.60 119.74 122.08 2o16 s LYS 63 Ca 0.00 1.49 -0.30 0.00 -0.36 0.00 0.00 55.97 56.80 2o16 s LYS 63 Cb 0.00 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2o16 s LYS 63 CO 0.00 0.22 1.25 -1.17 -0.36 0.00 0.00 175.35 175.29 2o16 s LEU 64 N -0.15 4.33 -0.07 5.43 2.96 -1.26 -1.11 118.68 128.82 2o16 s LEU 64 Ca 0.47 1.99 0.09 0.00 -0.22 0.00 0.00 54.13 56.46 2o16 s LEU 64 Cb -0.24 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.74 2o16 s LEU 64 CO 0.31 -0.56 0.10 0.18 -1.32 0.00 0.00 176.35 175.06 2o16 n LEU 65 N 4.54 0.00 0.00 -0.68 4.77 0.61 -4.94 117.00 121.31 2o16 n LEU 65 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2o16 n LEU 65 Cb 0.46 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2o16 n LEU 65 CO 0.56 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2o16 n GLY 66 N 2.23 -1.57 3.01 -0.72 0.00 -1.12 -4.59 105.19 102.43 2o16 n GLY 66 Ca -0.11 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 2o16 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o16 s ILE 67 N -2.57 0.60 -0.11 -0.61 1.01 -0.65 -0.36 121.20 118.51 2o16 s ILE 67 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2o16 s ILE 67 Cb 0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.95 2o16 s ILE 67 CO 0.00 0.12 -0.20 -0.69 0.00 0.00 0.00 174.94 174.17 2o16 s VAL 68 N -0.28 2.38 0.38 2.92 1.01 -0.77 -1.36 120.40 124.68 2o16 s VAL 68 Ca 0.02 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.18 2o16 s VAL 68 Cb -0.04 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2o16 s VAL 68 CO -0.00 0.55 0.21 -0.94 0.00 0.00 0.00 175.10 174.92 2o16 s SER 69 N 0.41 4.69 0.42 3.32 1.04 -1.26 -1.04 113.70 121.29 2o16 s SER 69 Ca -0.15 -0.86 0.08 0.00 0.48 0.00 0.00 55.95 55.50 2o16 s SER 69 Cb -0.17 -0.62 0.91 0.00 0.10 0.00 0.00 66.02 66.25 2o16 s SER 69 CO 0.07 -0.46 2.06 0.06 0.98 0.00 0.00 173.24 175.95 2o16 h GLN 70 N 1.38 0.47 -0.78 4.02 3.07 -1.00 -1.19 115.11 121.10 2o16 h GLN 70 Ca -0.43 -0.03 -0.05 0.00 0.09 0.00 0.00 58.65 58.24 2o16 h GLN 70 Cb 1.26 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 28.67 2o16 h GLN 70 CO 0.64 0.31 0.30 -0.09 0.09 0.00 0.00 178.83 180.08 2o16 h ARG 71 N 0.49 1.16 0.00 0.06 2.43 -1.96 -2.76 114.38 113.80 2o16 h ARG 71 Ca 0.14 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2o16 h ARG 71 Cb -0.02 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2o16 h ARG 71 CO -0.03 0.95 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.79 2o16 h ASP 72 N 1.13 0.00 -0.01 -3.80 3.32 -1.58 -2.08 116.42 113.40 2o16 h ASP 72 Ca 0.26 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2o16 h ASP 72 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2o16 h ASP 72 CO -0.02 0.15 0.01 -0.07 -1.72 0.00 0.00 179.24 177.58 2o16 h LEU 73 N 0.00 0.02 -0.23 1.55 3.38 -1.27 -1.26 115.31 117.49 2o16 h LEU 73 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2o16 h LEU 73 Cb 0.28 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2o16 h LEU 73 CO 0.02 0.08 0.04 0.25 0.09 0.00 0.00 178.44 178.92 2o16 h LEU 74 N -0.05 0.36 -0.63 1.67 5.85 -1.56 -2.68 115.31 118.27 2o16 h LEU 74 Ca 0.00 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.60 2o16 h LEU 74 Cb 0.06 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 2o16 h LEU 74 CO -0.00 0.52 0.08 0.00 -0.34 0.00 0.00 178.44 178.70 2o16 h ALA 75 N 0.85 0.70 -0.23 1.25 0.00 -1.12 0.37 119.26 121.09 2o16 h ALA 75 Ca 0.07 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2o16 h ALA 75 Cb 0.31 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2o16 h ALA 75 CO 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 179.25 178.60 2o16 h ALA 76 N 1.54 1.07 -0.24 0.00 0.00 -1.18 -2.10 119.26 118.36 2o16 h ALA 76 Ca 0.34 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2o16 h ALA 76 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2o16 h ALA 76 CO -0.48 0.57 -0.05 1.96 0.00 0.00 0.00 179.25 181.25 2o16 h GLN 77 N 0.39 0.46 -0.97 0.00 4.20 -0.78 -2.48 115.11 115.93 2o16 h GLN 77 Ca 0.05 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.60 2o16 h GLN 77 Cb 0.72 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 2o16 h GLN 77 CO 0.06 0.68 0.64 0.93 -0.67 0.00 0.00 178.83 180.47 2o16 h GLU 78 N 0.20 1.27 0.00 1.46 5.08 -0.74 -2.58 114.58 119.27 2o16 h GLU 78 Ca 0.06 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2o16 h GLU 78 Cb 0.50 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2o16 h GLU 78 CO 0.02 0.84 -0.33 0.66 -1.00 0.00 0.00 179.01 179.20 2o16 h SER 79 N 1.31 0.00 0.00 1.42 4.64 -1.33 -3.52 113.55 116.07 2o16 h SER 79 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2o16 h SER 79 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2o16 h SER 79 CO -0.08 0.33 0.00 -1.20 -0.87 0.00 0.00 176.83 175.01 2o16 n SER 80 N -3.38 0.00 -3.59 4.97 7.64 -0.94 -5.11 113.62 113.21 2o16 n SER 80 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.62 2o16 n SER 80 Cb 0.53 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.57 2o16 n SER 80 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2o16 s SER 89 N -1.02 2.74 0.00 6.43 0.15 -1.26 -4.97 113.70 115.77 2o16 s SER 89 Ca 0.00 -0.83 0.14 0.00 0.70 0.00 0.00 55.95 55.96 2o16 s SER 89 Cb 0.00 -0.29 0.55 0.00 -1.71 0.00 0.00 66.02 64.57 2o16 s SER 89 CO 0.00 -0.38 1.40 0.18 1.20 0.00 0.00 173.24 175.64 2o16 n LEU 90 N 5.26 1.26 -0.28 3.45 4.77 -1.26 -4.55 117.00 125.65 2o16 n LEU 90 Ca -0.07 -0.58 0.06 0.00 -0.03 0.00 0.00 56.01 55.39 2o16 n LEU 90 Cb 0.47 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.73 2o16 n LEU 90 CO 0.08 0.29 1.24 0.00 -1.33 0.00 0.00 177.39 177.67 2o16 h ALA 91 N 3.69 1.61 0.00 -1.18 0.00 -1.96 -0.04 119.26 121.38 2o16 h ALA 91 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2o16 h ALA 91 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2o16 h ALA 91 CO 0.00 0.23 0.00 0.74 0.00 0.00 0.00 179.25 180.22 2o16 h PHE 92 N 0.91 0.00 -0.02 0.00 0.04 -1.98 -2.66 116.94 113.23 2o16 h PHE 92 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 2o16 h PHE 92 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2o16 h PHE 92 CO -0.00 0.00 -0.13 0.39 -0.60 0.00 0.00 178.31 177.97 2o16 n GLU 93 N -2.52 1.72 -1.66 1.51 -0.58 -0.03 -1.23 120.64 117.85 2o16 n GLU 93 Ca 0.00 -1.28 -0.49 0.00 -0.42 0.00 0.00 57.16 54.96 2o16 n GLU 93 Cb 0.17 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 2o16 n GLU 93 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2o16 n THR 94 N 0.48 0.18 -2.02 2.62 -1.04 -1.00 -4.67 114.28 108.83 2o16 n THR 94 Ca 0.14 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.72 2o16 n THR 94 Cb 0.47 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 2o16 n THR 94 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2o16 s PRO 95 N 1.93 4.03 0.43 -2.82 0.04 -1.26 -0.78 135.00 136.57 2o16 s PRO 95 Ca 0.86 2.23 0.12 0.00 0.04 0.00 0.00 61.00 64.25 2o16 s PRO 95 Cb -0.79 -2.83 0.99 0.00 0.04 0.00 0.00 34.50 31.91 2o16 s PRO 95 CO 0.47 -0.46 2.00 -0.07 0.04 0.00 0.00 177.00 178.97 2o16 h LEU 96 N 2.81 0.39 -2.50 -3.56 3.38 -0.70 -1.12 115.31 114.02 2o16 h LEU 96 Ca -0.50 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.49 2o16 h LEU 96 Cb 1.24 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2o16 h LEU 96 CO 0.63 0.25 0.13 2.19 0.09 0.00 0.00 178.44 181.73 2o16 h PHE 97 N 0.44 0.00 0.00 1.13 -5.15 -1.59 0.41 116.94 112.18 2o16 h PHE 97 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.02 2o16 h PHE 97 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.58 2o16 h PHE 97 CO -0.00 0.00 -0.78 0.93 -2.00 0.00 0.00 178.31 176.46 2o16 h GLU 98 N 0.00 0.00 0.01 6.09 5.08 -1.49 -3.37 114.58 120.90 2o16 h GLU 98 Ca 0.03 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.01 2o16 h GLU 98 Cb 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2o16 h GLU 98 CO -0.00 0.00 -2.34 0.28 -1.00 0.00 0.00 179.01 175.95 2o16 n VAL 99 N -2.21 1.50 -1.22 3.13 0.31 0.90 -5.01 118.33 115.74 2o16 n VAL 99 Ca 0.02 -0.69 -0.30 0.00 -0.01 0.00 0.00 64.34 63.37 2o16 n VAL 99 Cb 0.46 -1.13 0.14 0.00 -0.91 0.00 0.00 33.84 32.40 2o16 n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2o16 s MET 100 N -2.52 1.23 0.09 5.55 0.23 0.11 -4.91 119.30 119.08 2o16 s MET 100 Ca -0.23 0.79 0.09 0.00 -1.03 0.00 0.00 55.69 55.31 2o16 s MET 100 Cb 0.08 -1.81 -0.04 0.00 -1.53 0.00 0.00 34.83 31.53 2o16 s MET 100 CO 0.71 -2.25 -0.21 -3.38 -2.03 0.00 0.00 175.02 167.86 2o16 s HIS 101 N -2.94 2.47 -2.62 3.16 -3.43 -0.47 -4.94 115.29 106.53 2o16 s HIS 101 Ca 0.63 -0.30 0.25 0.00 -0.80 0.00 0.00 55.06 54.84 2o16 s HIS 101 Cb -0.18 -1.37 0.63 0.00 -1.43 0.00 0.00 32.58 30.23 2o16 s HIS 101 CO 0.57 0.31 1.50 0.25 -2.00 0.00 0.00 174.74 175.37 2o16 n THR 102 N 1.15 0.11 -2.26 -5.38 -2.24 -1.26 -1.64 114.28 102.76 2o16 n THR 102 Ca -0.16 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 2o16 n THR 102 Cb 0.52 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 2o16 n THR 102 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2o16 s ASP 103 N -1.84 6.22 0.04 3.42 1.01 -1.26 -4.90 116.67 119.35 2o16 s ASP 103 Ca 0.34 0.94 0.01 0.00 0.71 0.00 0.00 52.55 54.55 2o16 s ASP 103 Cb 0.20 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 2o16 s ASP 103 CO 0.31 -1.51 -0.05 0.68 0.21 0.00 0.00 175.17 174.81 2o16 s VAL 104 N 5.80 0.33 -0.12 -1.27 -7.23 -1.26 -4.81 120.40 111.84 2o16 s VAL 104 Ca 0.66 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2o16 s VAL 104 Cb -0.16 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 2o16 s VAL 104 CO 0.33 -0.55 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.54 2o16 s THR 105 N -1.93 3.03 0.18 5.32 2.01 -1.26 -5.13 115.64 117.86 2o16 s THR 105 Ca -0.09 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2o16 s THR 105 Cb -0.06 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2o16 s THR 105 CO -0.02 0.53 -0.00 -0.94 -0.69 0.00 0.00 174.62 173.50 2o16 s SER 106 N 0.19 1.29 -0.02 3.53 1.04 -1.26 -3.22 113.70 115.25 2o16 s SER 106 Ca -0.08 -1.18 -0.08 0.00 0.48 0.00 0.00 55.95 55.10 2o16 s SER 106 Cb -0.15 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2o16 s SER 106 CO 0.05 -0.56 0.17 0.54 0.98 0.00 0.00 173.24 174.42 2o16 s VAL 107 N -3.63 0.06 0.47 5.02 0.11 -0.98 -4.99 120.40 116.46 2o16 s VAL 107 Ca 0.24 -0.46 -0.22 0.00 -2.93 0.00 0.00 61.98 58.62 2o16 s VAL 107 Cb 0.06 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 2o16 s VAL 107 CO 0.04 -0.25 1.10 0.00 -3.33 0.00 0.00 175.10 172.66 2o16 s ALA 108 N -0.92 2.91 0.42 1.54 0.00 -1.26 -0.95 121.76 123.51 2o16 s ALA 108 Ca -0.10 0.78 0.20 0.00 0.00 0.00 0.00 51.96 52.84 2o16 s ALA 108 Cb -0.05 -3.32 1.16 0.00 0.00 0.00 0.00 23.12 20.90 2o16 s ALA 108 CO 0.01 -0.49 2.00 -1.00 0.00 0.00 0.00 175.76 176.28 2o16 h PRO 109 N 1.85 0.00 -0.00 0.00 0.13 -1.93 -2.61 132.00 129.44 2o16 h PRO 109 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2o16 h PRO 109 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2o16 h PRO 109 CO 0.60 0.18 -0.01 0.00 -0.23 0.00 0.00 178.00 178.54 2o16 n GLN 110 N -3.98 1.03 -2.02 0.86 0.00 -1.26 -1.13 117.38 110.88 2o16 n GLN 110 Ca -0.02 -0.16 -0.32 0.00 0.00 0.00 0.00 57.00 56.50 2o16 n GLN 110 Cb 0.27 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.02 2o16 n GLN 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2o16 s ALA 111 N -2.07 2.77 0.29 2.61 0.00 -0.99 -4.78 121.76 119.60 2o16 s ALA 111 Ca 0.44 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 2o16 s ALA 111 Cb 0.22 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 2o16 s ALA 111 CO 0.38 -0.79 1.40 0.20 0.00 0.00 0.00 175.76 176.94 2o16 s GLY 112 N -2.96 2.63 0.17 0.00 0.00 -1.26 -0.41 107.32 105.50 2o16 s GLY 112 Ca 0.62 1.33 -0.10 0.00 0.00 0.00 0.00 44.72 46.57 2o16 s GLY 112 CO 0.39 2.15 1.59 -2.00 0.00 0.00 0.00 173.10 175.22 2o16 h LEU 113 N 4.22 1.04 -0.46 0.66 5.85 -1.56 -3.01 115.31 122.06 2o16 h LEU 113 Ca -0.48 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 57.95 2o16 h LEU 113 Cb 1.22 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2o16 h LEU 113 CO 0.72 1.15 0.15 0.50 -0.34 0.00 0.00 178.44 180.62 2o16 h LYS 114 N 0.92 0.31 -0.79 1.25 3.64 -1.92 0.58 116.57 120.55 2o16 h LYS 114 Ca 0.14 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2o16 h LYS 114 Cb 0.69 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 2o16 h LYS 114 CO 0.05 0.20 0.49 1.49 -2.27 0.00 0.00 179.45 179.41 2o16 h GLU 115 N 0.32 0.90 -0.39 1.90 4.81 -1.95 -0.21 114.58 119.95 2o16 h GLU 115 Ca 0.22 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2o16 h GLU 115 Cb 0.23 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2o16 h GLU 115 CO -0.23 0.59 -0.13 0.77 -0.73 0.00 0.00 179.01 179.28 2o16 h SER 116 N 0.92 0.79 -0.48 1.04 0.02 -1.20 -1.19 113.55 113.45 2o16 h SER 116 Ca 0.33 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2o16 h SER 116 Cb 0.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2o16 h SER 116 CO -0.15 0.99 0.20 0.00 -1.14 0.00 0.00 176.83 176.74 2o16 h ALA 117 N 0.82 0.62 -0.45 3.77 0.00 -0.48 -0.51 119.26 123.04 2o16 h ALA 117 Ca 0.09 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2o16 h ALA 117 Cb 0.67 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2o16 h ALA 117 CO 0.05 0.22 0.18 0.82 0.00 0.00 0.00 179.25 180.52 2o16 h ILE 118 N 0.63 0.90 -0.59 0.00 2.04 -1.00 -0.29 117.51 119.20 2o16 h ILE 118 Ca 0.16 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2o16 h ILE 118 Cb 0.18 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2o16 h ILE 118 CO -0.01 0.07 0.39 0.22 0.00 0.00 0.00 178.15 178.81 2o16 h TYR 119 N 0.37 0.74 -0.63 1.37 3.20 -0.91 0.45 116.97 121.55 2o16 h TYR 119 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2o16 h TYR 119 Cb 0.17 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2o16 h TYR 119 CO -0.14 0.46 0.28 0.52 -1.64 0.00 0.00 178.16 177.64 2o16 h MET 120 N 0.79 0.93 0.36 1.82 2.86 -0.76 -1.20 114.93 119.72 2o16 h MET 120 Ca 0.22 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2o16 h MET 120 Cb -0.08 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.42 2o16 h MET 120 CO -0.05 0.77 -0.17 0.37 1.06 0.00 0.00 176.91 178.88 2o16 h GLN 121 N 0.88 -0.46 -0.80 1.72 4.15 -0.70 0.11 115.11 120.01 2o16 h GLN 121 Ca 0.22 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.70 2o16 h GLN 121 Cb 0.16 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 2o16 h GLN 121 CO -0.02 -0.25 0.51 -0.22 -1.93 0.00 0.00 178.83 176.92 2o16 h LYS 122 N -0.57 0.96 -0.66 1.69 3.64 -0.79 -2.70 116.57 118.14 2o16 h LYS 122 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2o16 h LYS 122 Cb 0.43 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2o16 h LYS 122 CO 0.08 0.64 0.00 0.72 -2.27 0.00 0.00 179.45 178.62 2o16 n HIS 123 N -4.59 0.88 -3.96 1.91 8.25 -0.47 -4.96 115.22 112.27 2o16 n HIS 123 Ca 0.10 -0.46 -0.30 0.00 -0.26 0.00 0.00 57.72 56.80 2o16 n HIS 123 Cb 0.09 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 2o16 n HIS 123 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2o16 n LYS 124 N 1.57 -2.24 -3.58 -0.41 5.02 0.00 -4.92 118.16 113.61 2o16 n LYS 124 Ca 0.23 0.33 -0.38 0.00 -2.02 0.00 0.00 58.31 56.47 2o16 n LYS 124 Cb 0.61 -4.10 -0.11 0.00 -0.02 0.00 0.00 35.03 31.41 2o16 n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o16 s ILE 125 N -3.88 5.30 -2.23 -0.18 1.01 0.16 -4.96 121.20 116.42 2o16 s ILE 125 Ca 0.14 0.20 0.24 0.00 0.00 0.00 0.00 60.65 61.24 2o16 s ILE 125 Cb -0.06 -3.54 0.17 0.00 0.01 0.00 0.00 42.46 39.04 2o16 s ILE 125 CO 0.91 0.25 1.32 0.61 0.00 0.00 0.00 174.94 178.03 2o16 n GLY 126 N 5.00 0.08 2.74 6.18 0.00 -1.26 -4.75 105.19 113.18 2o16 n GLY 126 Ca -0.14 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 2o16 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o16 s LEU 128 N 2.27 4.22 0.35 0.00 2.96 0.15 -4.69 118.68 123.94 2o16 s LEU 128 Ca 0.05 -2.93 -0.28 0.00 -0.22 0.00 0.00 54.13 50.74 2o16 s LEU 128 Cb -0.15 -1.60 -0.12 0.00 0.50 0.00 0.00 46.19 44.83 2o16 s LEU 128 CO -0.09 -0.24 1.37 -2.65 -1.32 0.00 0.00 176.35 173.41 2o16 n PRO 129 N 3.21 2.31 -3.99 0.98 -0.02 -1.20 -1.28 135.00 135.01 2o16 n PRO 129 Ca 0.05 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 61.99 2o16 n PRO 129 Cb 0.33 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 2o16 n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o16 s VAL 130 N -1.03 4.08 -0.04 -1.45 1.01 0.15 -2.31 120.40 120.80 2o16 s VAL 130 Ca 0.55 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.30 2o16 s VAL 130 Cb -0.54 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2o16 s VAL 130 CO 0.62 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 175.31 2o16 s VAL 131 N 1.10 1.13 -0.03 2.92 1.01 -0.12 -0.45 120.40 125.97 2o16 s VAL 131 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2o16 s VAL 131 Cb -0.14 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2o16 s VAL 131 CO 0.02 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.49 2o16 s ALA 132 N 0.15 0.17 -1.40 5.51 0.00 -0.65 -4.05 121.76 121.50 2o16 s ALA 132 Ca -0.04 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2o16 s ALA 132 Cb -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2o16 s ALA 132 CO 0.02 -0.23 0.85 1.63 0.00 0.00 0.00 175.76 178.03 2o16 n LYS 133 N 4.54 -5.41 -1.03 0.00 5.02 -1.26 -0.62 118.16 119.40 2o16 n LYS 133 Ca -0.20 0.63 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 2o16 n LYS 133 Cb 0.50 -5.37 -0.00 0.00 -0.02 0.00 0.00 35.03 30.14 2o16 n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2o16 n ASP 134 N -2.97 -5.76 -4.61 4.39 8.00 -1.26 -4.97 116.55 109.37 2o16 n ASP 134 Ca -0.15 0.03 -0.34 0.00 0.71 0.00 0.00 54.79 55.04 2o16 n ASP 134 Cb 0.61 -3.36 -0.11 0.00 -0.02 0.00 0.00 41.12 38.25 2o16 n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2o16 s VAL 135 N -1.17 4.03 -0.28 2.53 1.01 0.21 -4.07 120.40 122.66 2o16 s VAL 135 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2o16 s VAL 135 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2o16 s VAL 135 CO 0.00 0.58 1.75 -0.22 0.00 0.00 0.00 175.10 177.20 2o16 s LEU 136 N -0.57 3.65 0.00 3.92 2.96 0.23 -1.63 118.68 127.24 2o16 s LEU 136 Ca 0.09 1.45 0.13 0.00 -0.22 0.00 0.00 54.13 55.58 2o16 s LEU 136 Cb -0.12 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.95 2o16 s LEU 136 CO 0.02 -1.54 0.60 1.33 -1.32 0.00 0.00 176.35 175.44 2o16 n VAL 137 N 7.05 0.00 0.00 1.68 0.24 0.40 -4.97 118.33 122.73 2o16 n VAL 137 Ca 0.22 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2o16 n VAL 137 Cb 0.46 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 2o16 n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2o16 n GLY 138 N 1.22 -0.74 3.34 7.63 0.00 -1.14 -4.32 105.19 111.18 2o16 n GLY 138 Ca 0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2o16 n GLY 138 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2o16 s ILE 139 N -2.00 0.04 -0.10 -0.61 2.07 -0.47 -0.67 121.20 119.46 2o16 s ILE 139 Ca 0.00 -0.30 0.03 0.00 -1.41 0.00 0.00 60.65 58.97 2o16 s ILE 139 Cb 0.00 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.85 2o16 s ILE 139 CO 0.00 -0.17 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.05 2o16 s ILE 140 N -1.26 1.69 0.34 2.00 1.01 -0.40 -0.81 121.20 123.76 2o16 s ILE 140 Ca -0.13 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2o16 s ILE 140 Cb -0.03 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 2o16 s ILE 140 CO 0.06 0.48 0.05 0.42 0.00 0.00 0.00 174.94 175.96 2o16 s THR 141 N 0.65 1.26 0.26 2.92 -4.23 -1.26 0.32 115.64 115.56 2o16 s THR 141 Ca -0.13 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.36 2o16 s THR 141 Cb -0.16 -2.79 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2o16 s THR 141 CO 0.03 0.00 1.68 0.44 -0.54 0.00 0.00 174.62 176.24 2o16 h ASP 142 N 2.04 0.10 0.54 3.99 3.32 -1.06 -1.13 116.42 124.22 2o16 h ASP 142 Ca -0.41 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 2o16 h ASP 142 Cb 1.25 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 2o16 h ASP 142 CO 0.71 -0.04 -0.11 0.77 -1.72 0.00 0.00 179.24 178.84 2o16 h SER 143 N 0.30 0.00 1.08 6.45 4.64 -1.96 -2.66 113.55 121.40 2o16 h SER 143 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2o16 h SER 143 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2o16 h SER 143 CO -0.54 0.11 -0.00 0.44 -0.87 0.00 0.00 176.83 175.97 2o16 h ASP 144 N 0.00 0.00 0.87 4.97 3.32 -1.61 -3.32 116.42 120.65 2o16 h ASP 144 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2o16 h ASP 144 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2o16 h ASP 144 CO 0.01 0.00 -0.38 -0.26 -1.72 0.00 0.00 179.24 176.89 2o16 h PHE 145 N 0.00 0.00 -0.29 4.55 0.04 -1.57 -0.14 116.94 119.53 2o16 h PHE 145 Ca -0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2o16 h PHE 145 Cb 0.54 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 2o16 h PHE 145 CO 0.00 0.38 -0.08 -0.24 -0.60 0.00 0.00 178.31 177.77 2o16 h VAL 146 N 0.00 0.69 -0.44 -0.55 3.04 -1.79 0.10 116.25 117.30 2o16 h VAL 146 Ca -0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.54 2o16 h VAL 146 Cb 0.92 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2o16 h VAL 146 CO 0.05 0.00 -0.30 0.74 -1.01 0.00 0.00 177.57 177.05 2o16 h THR 147 N -0.01 1.27 -0.51 3.17 2.02 -1.63 -1.46 112.91 115.75 2o16 h THR 147 Ca 0.14 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 2o16 h THR 147 Cb 0.23 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2o16 h THR 147 CO -0.31 0.50 0.30 0.40 0.37 0.00 0.00 175.52 176.79 2o16 h ILE 148 N 0.82 1.16 -0.46 3.11 2.04 -0.88 -0.76 117.51 122.53 2o16 h ILE 148 Ca 0.09 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2o16 h ILE 148 Cb 0.90 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2o16 h ILE 148 CO 0.08 0.17 0.16 0.00 0.00 0.00 0.00 178.15 178.56 2o16 h ALA 149 N 1.14 0.61 -0.24 1.87 0.00 -0.63 0.21 119.26 122.22 2o16 h ALA 149 Ca 0.18 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2o16 h ALA 149 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2o16 h ALA 149 CO -0.03 0.24 0.03 0.82 0.00 0.00 0.00 179.25 180.30 2o16 h ILE 150 N 0.61 0.87 -0.77 0.00 2.04 -0.93 0.68 117.51 120.00 2o16 h ILE 150 Ca 0.15 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2o16 h ILE 150 Cb 0.24 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2o16 h ILE 150 CO -0.01 0.02 0.35 0.78 0.00 0.00 0.00 178.15 179.29 2o16 h ASN 151 N 0.11 1.02 -0.47 1.72 2.35 -0.81 -1.12 115.58 118.38 2o16 h ASN 151 Ca 0.11 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2o16 h ASN 151 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2o16 h ASN 151 CO -0.16 0.88 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.22 2o16 h LEU 152 N 1.11 1.01 -0.87 1.61 3.38 -0.58 -1.16 115.31 119.80 2o16 h LEU 152 Ca 0.26 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2o16 h LEU 152 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2o16 h LEU 152 CO -0.03 1.17 0.57 -0.07 0.09 0.00 0.00 178.44 180.18 2o16 h LEU 153 N 0.85 0.99 -0.41 1.67 3.38 -0.41 -0.52 115.31 120.85 2o16 h LEU 153 Ca 0.11 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 2o16 h LEU 153 Cb 0.78 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2o16 h LEU 153 CO 0.07 0.71 -0.46 -0.33 0.09 0.00 0.00 178.44 178.51 2o16 h GLU 154 N 1.16 0.83 -0.36 1.13 5.08 -1.03 0.36 114.58 121.75 2o16 h GLU 154 Ca 0.32 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2o16 h GLU 154 Cb -0.11 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2o16 h GLU 154 CO -0.08 1.11 0.19 -0.07 -1.00 0.00 0.00 179.01 179.16 2o16 h LEU 155 N 0.66 0.46 -0.30 1.33 3.38 -1.08 -1.57 115.31 118.18 2o16 h LEU 155 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2o16 h LEU 155 Cb 1.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2o16 h LEU 155 CO 0.10 0.43 0.17 -0.61 0.09 0.00 0.00 178.44 178.62 2o16 h GLN 156 N 0.45 0.42 -0.42 1.13 5.75 -0.88 -0.47 115.11 121.08 2o16 h GLN 156 Ca 0.13 -0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.69 2o16 h GLN 156 Cb 0.08 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2o16 h GLN 156 CO -0.02 0.35 0.30 0.93 -2.65 0.00 0.00 178.83 177.74 2o16 h GLU 157 N 0.37 0.09 -0.02 1.69 5.08 -0.77 -2.63 114.58 118.39 2o16 h GLU 157 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2o16 h GLU 157 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2o16 h GLU 157 CO -0.02 0.06 -0.21 0.39 -1.00 0.00 0.00 179.01 178.23 2o16 n GLU 158 N -4.44 1.50 -2.13 2.33 1.02 -0.60 -4.98 120.64 113.34 2o16 n GLU 158 Ca 0.07 -1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 55.68 2o16 n GLU 158 Cb 0.44 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2o16 n GLU 158 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2o16 s SER 159 N -2.27 6.79 0.01 1.62 1.04 -0.26 -5.03 113.70 115.60 2o16 s SER 159 Ca 0.26 2.46 0.06 0.00 0.48 0.00 0.00 55.95 59.21 2o16 s SER 159 Cb 0.19 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 2o16 s SER 159 CO 0.44 -0.64 -0.16 -1.61 0.98 0.00 0.00 173.24 172.26 2o16 s GLU 160 N 0.36 2.27 0.00 4.02 2.02 -1.26 -5.06 118.70 121.04 2o16 s GLU 160 Ca 0.61 -0.86 0.28 0.00 0.02 0.00 0.00 54.97 55.02 2o16 s GLU 160 Cb -0.39 -2.28 1.67 0.00 0.10 0.00 0.00 34.13 33.23 2o16 s GLU 160 CO 0.36 0.57 2.01 -2.30 0.02 0.00 0.00 175.26 175.92