#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m44 s THR 3 N 0.00 4.59 -0.29 1.59 2.01 -1.26 -5.01 115.64 117.26 1m44 s THR 3 Ca 0.00 1.94 -0.10 0.00 0.31 0.00 0.00 61.69 63.84 1m44 s THR 3 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 1m44 s THR 3 CO 0.00 0.32 0.15 -1.10 -0.69 0.00 0.00 174.62 173.30 1m44 s GLN 4 N 0.03 3.61 -0.14 4.92 -0.21 -1.26 -5.09 119.66 121.52 1m44 s GLN 4 Ca 0.45 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.31 1m44 s GLN 4 Cb -0.22 -3.56 0.01 0.00 1.00 0.00 0.00 33.01 30.24 1m44 s GLN 4 CO 0.28 -0.30 -0.21 0.08 -2.12 0.00 0.00 175.29 173.02 1m44 s VAL 5 N 1.67 2.02 -0.08 1.09 1.01 -1.26 -5.08 120.40 119.76 1m44 s VAL 5 Ca 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1m44 s VAL 5 Cb -0.16 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1m44 s VAL 5 CO 0.07 0.54 -0.08 -1.00 0.00 0.00 0.00 175.10 174.63 1m44 s HIS 6 N 0.89 2.91 0.18 5.22 3.76 -1.26 -5.12 115.29 121.87 1m44 s HIS 6 Ca -0.05 -0.07 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 1m44 s HIS 6 Cb -0.15 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 1m44 s HIS 6 CO -0.03 0.25 -0.14 0.95 -0.85 0.00 0.00 174.74 174.91 1m44 s THR 7 N -0.62 1.62 0.38 1.30 -4.23 -1.26 -4.79 115.64 108.03 1m44 s THR 7 Ca 0.09 -2.12 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 1m44 s THR 7 Cb -0.12 -1.95 -0.08 0.00 1.34 0.00 0.00 72.50 71.70 1m44 s THR 7 CO 0.02 -0.58 0.78 0.00 -0.54 0.00 0.00 174.62 174.30 1m44 s ALA 8 N -2.86 3.29 -0.01 3.99 0.00 -1.26 -4.80 121.76 120.12 1m44 s ALA 8 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1m44 s ALA 8 Cb -0.01 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1m44 s ALA 8 CO 0.05 0.14 0.02 1.03 0.00 0.00 0.00 175.76 177.01 1m44 s ARG 9 N -3.42 2.87 -0.23 0.00 0.52 -0.04 -4.86 118.95 113.79 1m44 s ARG 9 Ca 0.54 -0.56 -0.10 0.00 -0.52 0.00 0.00 55.73 55.09 1m44 s ARG 9 Cb -0.10 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 1m44 s ARG 9 CO 0.24 0.64 0.14 -0.51 0.02 0.00 0.00 175.30 175.82 1m44 s LEU 10 N -1.56 4.02 -0.05 2.53 1.43 -1.26 -0.94 118.68 122.85 1m44 s LEU 10 Ca 0.20 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1m44 s LEU 10 Cb -0.12 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1m44 s LEU 10 CO 0.11 0.07 -0.06 -0.69 0.23 0.00 0.00 176.35 176.01 1m44 s VAL 11 N 1.02 0.65 0.55 -1.59 1.01 0.06 -4.95 120.40 117.15 1m44 s VAL 11 Ca 0.07 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1m44 s VAL 11 Cb -0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 1m44 s VAL 11 CO 0.04 0.26 1.14 -2.28 0.00 0.00 0.00 175.10 174.26 1m44 s HIS 12 N 0.97 2.63 0.26 5.22 2.46 -1.26 -0.50 115.29 125.06 1m44 s HIS 12 Ca -0.10 1.54 -0.03 0.00 0.47 0.00 0.00 55.06 56.93 1m44 s HIS 12 Cb -0.14 -3.32 0.53 0.00 -0.13 0.00 0.00 32.58 29.52 1m44 s HIS 12 CO 0.00 -1.67 1.66 1.15 -2.47 0.00 0.00 174.74 173.41 1m44 h THR 13 N 1.15 0.39 0.00 0.89 2.02 -1.34 0.68 112.91 116.71 1m44 h THR 13 Ca -0.50 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1m44 h THR 13 Cb 1.27 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1m44 h THR 13 CO 0.57 0.03 0.00 0.00 0.37 0.00 0.00 175.52 176.49 1m44 h ALA 14 N 1.70 1.00 -0.38 6.16 0.00 -1.91 -1.64 119.26 124.18 1m44 h ALA 14 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1m44 h ALA 14 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1m44 h ALA 14 CO -0.61 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.39 1m44 n ASP 15 N -2.50 3.46 -4.68 0.00 8.00 0.22 -4.89 116.55 116.16 1m44 n ASP 15 Ca -0.01 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1m44 n ASP 15 Cb 0.08 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 1m44 n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m44 s LEU 16 N -1.49 4.23 0.86 0.64 1.43 -0.62 -4.95 118.68 118.77 1m44 s LEU 16 Ca 0.38 1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 54.75 1m44 s LEU 16 Cb 0.23 -3.42 0.12 0.00 0.03 0.00 0.00 46.19 43.15 1m44 s LEU 16 CO 0.32 -0.40 1.22 1.51 0.23 0.00 0.00 176.35 179.22 1m44 s ASP 17 N 1.09 4.01 0.19 2.29 1.47 -1.26 -4.79 116.67 119.67 1m44 s ASP 17 Ca 0.44 0.54 -0.12 0.00 1.18 0.00 0.00 52.55 54.60 1m44 s ASP 17 Cb -0.18 -0.88 0.16 0.00 -0.34 0.00 0.00 42.92 41.68 1m44 s ASP 17 CO 0.17 -2.19 1.81 0.77 0.68 0.00 0.00 175.17 176.40 1m44 h SER 18 N -1.23 0.50 -0.91 2.11 4.64 -1.99 -0.80 113.55 115.86 1m44 h SER 18 Ca -0.45 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1m44 h SER 18 Cb 1.29 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1m44 h SER 18 CO 0.55 0.34 0.51 -0.08 -0.87 0.00 0.00 176.83 177.28 1m44 h GLU 19 N 0.62 1.27 -0.16 4.77 4.81 -1.99 -1.53 114.58 122.37 1m44 h GLU 19 Ca 0.24 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1m44 h GLU 19 Cb 0.10 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1m44 h GLU 19 CO -0.14 0.91 -0.66 1.15 -0.73 0.00 0.00 179.01 179.55 1m44 h THR 20 N 1.27 1.32 -0.58 0.32 2.02 -1.80 -1.05 112.91 114.41 1m44 h THR 20 Ca 0.32 -1.93 -0.04 0.00 0.77 0.00 0.00 66.41 65.53 1m44 h THR 20 Cb 0.01 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1m44 h THR 20 CO -0.05 0.60 0.22 0.03 0.37 0.00 0.00 175.52 176.69 1m44 h ARG 21 N 0.43 0.88 -0.39 6.66 3.08 -0.87 0.19 114.38 124.36 1m44 h ARG 21 Ca -0.02 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1m44 h ARG 21 Cb 1.23 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1m44 h ARG 21 CO 0.12 0.76 0.16 0.37 -1.07 0.00 0.00 179.97 180.32 1m44 h GLN 22 N 0.81 0.59 -0.48 0.04 4.15 -1.14 -0.79 115.11 118.29 1m44 h GLN 22 Ca 0.19 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1m44 h GLN 22 Cb 0.22 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1m44 h GLN 22 CO -0.01 0.55 0.16 0.22 -1.93 0.00 0.00 178.83 177.82 1m44 h ASP 23 N 0.49 0.69 -0.08 -0.69 3.58 -0.89 0.37 116.42 119.89 1m44 h ASP 23 Ca 0.13 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.39 1m44 h ASP 23 Cb 0.18 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1m44 h ASP 23 CO -0.01 0.70 0.03 0.40 -2.88 0.00 0.00 179.24 177.48 1m44 h ILE 24 N 0.64 0.99 -0.80 2.25 2.04 -0.84 -0.90 117.51 120.89 1m44 h ILE 24 Ca 0.16 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1m44 h ILE 24 Cb 0.25 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1m44 h ILE 24 CO -0.01 0.01 0.46 -0.09 0.00 0.00 0.00 178.15 178.53 1m44 h ARG 25 N 0.07 1.10 -0.37 2.37 2.43 -0.85 0.14 114.38 119.27 1m44 h ARG 25 Ca 0.03 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1m44 h ARG 25 Cb 0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1m44 h ARG 25 CO -0.03 0.80 0.18 0.37 -1.51 0.00 0.00 179.97 179.78 1m44 h GLN 26 N 1.11 0.53 -0.33 0.20 4.15 -0.75 -1.10 115.11 118.92 1m44 h GLN 26 Ca 0.29 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.56 1m44 h GLN 26 Cb -0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1m44 h GLN 26 CO -0.05 0.47 -0.07 1.98 -1.93 0.00 0.00 178.83 179.22 1m44 h MET 27 N 0.46 0.63 -0.70 1.69 4.05 -0.85 -1.25 114.93 118.97 1m44 h MET 27 Ca 0.13 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1m44 h MET 27 Cb 0.11 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1m44 h MET 27 CO -0.02 0.80 0.40 0.28 0.23 0.00 0.00 176.91 178.60 1m44 h VAL 28 N 0.41 1.21 -0.61 -5.77 2.07 -0.94 -0.37 116.25 112.23 1m44 h VAL 28 Ca 0.08 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1m44 h VAL 28 Cb 0.57 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1m44 h VAL 28 CO 0.03 0.23 0.35 0.74 0.02 0.00 0.00 177.57 178.94 1m44 h THR 29 N 0.95 1.01 -0.53 2.57 2.02 -1.02 -1.70 112.91 116.20 1m44 h THR 29 Ca 0.25 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1m44 h THR 29 Cb 0.01 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1m44 h THR 29 CO -0.04 0.12 0.01 1.23 0.37 0.00 0.00 175.52 177.21 1m44 h GLY 30 N 0.67 0.97 2.00 2.16 0.00 -0.58 0.82 103.07 109.11 1m44 h GLY 30 Ca 0.26 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1m44 h GLY 30 CO -0.14 0.61 -0.14 0.00 0.00 0.00 0.00 176.54 176.86 1m44 h ALA 31 N 1.17 1.34 -0.60 3.60 0.00 -0.35 -0.86 119.26 123.56 1m44 h ALA 31 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1m44 h ALA 31 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1m44 h ALA 31 CO 0.02 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.64 1m44 n PHE 32 N -3.76 1.34 -3.38 0.00 3.72 -0.71 -4.95 117.46 109.72 1m44 n PHE 32 Ca -0.02 -0.62 -0.24 0.00 -0.05 0.00 0.00 57.45 56.52 1m44 n PHE 32 Cb 0.25 -0.22 0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1m44 n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1m44 n ALA 33 N 0.98 -1.08 0.00 4.37 0.00 -0.33 -1.43 120.51 123.03 1m44 n ALA 33 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1m44 n ALA 33 Cb 0.84 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1m44 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m44 n GLY 34 N -1.35 1.27 3.34 0.00 0.00 0.22 -4.99 105.19 103.67 1m44 n GLY 34 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1m44 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m44 n ASP 35 N 0.00 5.13 -3.29 1.61 2.03 -0.51 -4.78 116.55 116.74 1m44 n ASP 35 Ca 0.00 -3.00 -0.08 0.00 0.52 0.00 0.00 54.79 52.24 1m44 n ASP 35 Cb 0.00 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 38.77 1m44 n ASP 35 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1m44 s PHE 36 N 1.64 -1.07 0.75 -0.67 5.36 -1.26 -4.85 117.98 117.88 1m44 s PHE 36 Ca 0.43 0.35 -0.08 0.00 -0.96 0.00 0.00 56.93 56.67 1m44 s PHE 36 Cb 0.01 -0.12 0.09 0.00 -0.34 0.00 0.00 43.02 42.65 1m44 s PHE 36 CO 0.01 -1.00 1.08 0.95 -1.46 0.00 0.00 175.22 174.80 1m44 s THR 37 N 2.53 2.18 0.20 0.12 -4.23 -1.26 -4.84 115.64 110.34 1m44 s THR 37 Ca 0.10 -0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 1m44 s THR 37 Cb -0.12 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 70.87 1m44 s THR 37 CO -0.29 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 175.48 1m44 h GLU 38 N -0.79 0.47 -0.14 3.99 4.57 -2.01 -0.76 114.58 119.91 1m44 h GLU 38 Ca -0.44 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 1m44 h GLU 38 Cb 1.30 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1m44 h GLU 38 CO 0.57 0.31 -0.43 1.79 -1.18 0.00 0.00 179.01 180.08 1m44 h THR 39 N 0.49 1.31 -0.81 0.32 1.35 -1.96 -1.11 112.91 112.49 1m44 h THR 39 Ca 0.27 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1m44 h THR 39 Cb 0.25 1.68 -0.04 0.00 -1.73 0.00 0.00 68.15 68.31 1m44 h THR 39 CO -0.23 0.48 0.51 0.44 -0.25 0.00 0.00 175.52 176.47 1m44 h ASP 40 N 0.27 0.96 -0.49 5.36 3.32 -1.76 -0.36 116.42 123.72 1m44 h ASP 40 Ca 0.02 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1m44 h ASP 40 Cb 0.87 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1m44 h ASP 40 CO 0.07 0.73 0.16 -0.25 -1.72 0.00 0.00 179.24 178.23 1m44 h TRP 41 N 1.11 0.79 -0.87 4.55 2.91 -0.86 -2.61 115.95 120.97 1m44 h TRP 41 Ca 0.29 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 60.28 1m44 h TRP 41 Cb -0.07 -0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 28.30 1m44 h TRP 41 CO -0.01 0.68 0.57 1.49 -1.03 0.00 0.00 178.44 180.14 1m44 h GLU 42 N 0.66 1.03 0.00 2.65 4.22 -0.61 -0.62 114.58 121.92 1m44 h GLU 42 Ca 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1m44 h GLU 42 Cb 0.26 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1m44 h GLU 42 CO -0.01 0.68 0.00 0.45 -2.18 0.00 0.00 179.01 177.96 1m44 h HIS 43 N 1.06 0.00 -0.00 0.92 3.86 -0.69 -1.64 115.15 118.66 1m44 h HIS 43 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1m44 h HIS 43 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1m44 h HIS 43 CO -0.00 0.00 -0.08 0.25 0.86 0.00 0.00 177.93 178.96 1m44 n THR 44 N -2.92 0.00 -3.81 2.45 -2.24 -0.24 -4.88 114.28 102.64 1m44 n THR 44 Ca -0.01 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 1m44 n THR 44 Cb 0.18 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 1m44 n THR 44 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m44 s LEU 45 N -2.32 4.35 0.00 3.22 1.43 -0.62 -4.56 118.68 120.18 1m44 s LEU 45 Ca 0.33 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1m44 s LEU 45 Cb 0.20 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1m44 s LEU 45 CO 0.44 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.82 1m44 n GLY 46 N 0.65 2.01 0.00 -3.19 0.00 -1.26 -4.98 105.19 98.41 1m44 n GLY 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1m44 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m44 n GLY 47 N 0.00 5.33 3.87 -0.02 0.00 -1.26 -4.83 105.19 108.28 1m44 n GLY 47 Ca 0.00 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 1m44 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m44 s MET 48 N 4.53 3.40 -0.12 1.61 -1.94 -0.93 -0.89 119.30 124.96 1m44 s MET 48 Ca 0.00 -0.18 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 1m44 s MET 48 Cb 0.00 -3.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.69 1m44 s MET 48 CO 0.00 0.76 -0.16 -1.01 -0.01 0.00 0.00 175.02 174.60 1m44 s HIS 49 N -1.06 2.74 -0.14 -0.03 4.02 0.34 -0.98 115.29 120.18 1m44 s HIS 49 Ca 0.17 -0.69 -0.16 0.00 1.02 0.00 0.00 55.06 55.39 1m44 s HIS 49 Cb -0.12 -1.79 -0.04 0.00 -1.02 0.00 0.00 32.58 29.60 1m44 s HIS 49 CO 0.06 -0.22 0.39 0.00 1.02 0.00 0.00 174.74 175.99 1m44 s ALA 50 N 0.25 3.53 -0.00 -1.40 0.00 0.17 -0.76 121.76 123.54 1m44 s ALA 50 Ca -0.11 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1m44 s ALA 50 Cb -0.16 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1m44 s ALA 50 CO 0.06 0.03 -0.11 -0.51 0.00 0.00 0.00 175.76 175.24 1m44 s LEU 51 N 0.57 2.03 -0.04 0.00 1.43 -0.11 -1.60 118.68 120.96 1m44 s LEU 51 Ca 0.22 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1m44 s LEU 51 Cb -0.14 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.55 1m44 s LEU 51 CO 0.07 0.12 -0.09 -0.63 0.23 0.00 0.00 176.35 176.05 1m44 s ILE 52 N -0.30 0.80 0.39 -0.59 1.01 -0.83 -0.86 121.20 120.83 1m44 s ILE 52 Ca 0.04 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.43 1m44 s ILE 52 Cb -0.04 -0.73 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 1m44 s ILE 52 CO -0.00 0.26 0.03 0.26 0.00 0.00 0.00 174.94 175.49 1m44 s TRP 53 N 0.43 2.52 -0.16 3.97 0.51 -1.26 -0.84 118.94 124.11 1m44 s TRP 53 Ca -0.07 -0.59 -0.06 0.00 -2.12 0.00 0.00 56.10 53.25 1m44 s TRP 53 Cb -0.11 -1.72 0.07 0.00 -0.81 0.00 0.00 33.47 30.90 1m44 s TRP 53 CO 0.01 0.42 0.35 -1.58 -0.51 0.00 0.00 176.95 175.64 1m44 s HIS 54 N -2.64 -0.60 -1.45 -1.98 5.65 0.46 -4.80 115.29 109.93 1m44 s HIS 54 Ca 0.36 1.23 -0.10 0.00 0.25 0.00 0.00 55.06 56.80 1m44 s HIS 54 Cb 0.06 0.16 0.06 0.00 -1.18 0.00 0.00 32.58 31.68 1m44 s HIS 54 CO 0.19 -0.39 0.74 0.72 -0.65 0.00 0.00 174.74 175.34 1m44 n HIS 55 N 5.06 -2.08 -0.93 3.88 8.25 -1.26 -0.98 115.22 127.16 1m44 n HIS 55 Ca -0.12 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1m44 n HIS 55 Cb 0.51 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.83 1m44 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m44 n GLY 56 N -1.49 0.68 3.65 -1.41 0.00 -1.26 -5.01 105.19 100.34 1m44 n GLY 56 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1m44 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m44 s ALA 57 N -2.91 3.18 0.06 4.61 0.00 -0.15 -5.07 121.76 121.48 1m44 s ALA 57 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1m44 s ALA 57 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 1m44 s ALA 57 CO 0.00 0.63 1.39 0.42 0.00 0.00 0.00 175.76 178.20 1m44 s ILE 58 N -1.02 3.52 -0.18 0.00 -1.09 -1.26 -0.40 121.20 120.76 1m44 s ILE 58 Ca 0.18 1.02 0.04 0.00 -2.23 0.00 0.00 60.65 59.66 1m44 s ILE 58 Cb -0.11 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1m44 s ILE 58 CO 0.08 0.04 0.17 2.30 -1.23 0.00 0.00 174.94 176.30 1m44 n ILE 59 N 4.29 0.00 -3.64 2.92 -5.35 -0.02 -4.90 119.36 112.66 1m44 n ILE 59 Ca 0.12 -0.37 -0.15 0.00 -0.27 0.00 0.00 62.75 62.08 1m44 n ILE 59 Cb 0.43 0.94 -0.08 0.00 -1.74 0.00 0.00 39.64 39.20 1m44 n ILE 59 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1m44 s ALA 60 N -1.49 -1.31 -0.08 -1.28 0.00 -1.09 -1.01 121.76 115.49 1m44 s ALA 60 Ca 0.01 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 1m44 s ALA 60 Cb 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1m44 s ALA 60 CO 0.18 -0.31 0.39 -1.58 0.00 0.00 0.00 175.76 174.44 1m44 s HIS 61 N -0.97 -0.35 -0.17 0.00 2.46 0.08 -1.97 115.29 114.38 1m44 s HIS 61 Ca -0.10 0.74 -0.18 0.00 0.47 0.00 0.00 55.06 55.99 1m44 s HIS 61 Cb -0.03 0.15 0.05 0.00 -0.13 0.00 0.00 32.58 32.62 1m44 s HIS 61 CO 0.06 -0.32 0.50 0.00 -2.47 0.00 0.00 174.74 172.51 1m44 s ALA 62 N -0.56 -1.25 0.11 1.58 0.00 -0.63 -1.02 121.76 119.99 1m44 s ALA 62 Ca -0.07 1.34 0.09 0.00 0.00 0.00 0.00 51.96 53.32 1m44 s ALA 62 Cb -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1m44 s ALA 62 CO 0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 175.76 175.34 1m44 s ALA 63 N 0.04 2.59 -0.15 0.00 0.00 -0.15 0.42 121.76 124.52 1m44 s ALA 63 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1m44 s ALA 63 Cb -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1m44 s ALA 63 CO 0.02 0.58 -0.10 0.54 0.00 0.00 0.00 175.76 176.79 1m44 s VAL 64 N -1.09 1.35 0.23 0.00 0.11 -0.16 -0.77 120.40 120.08 1m44 s VAL 64 Ca 0.16 -0.60 0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1m44 s VAL 64 Cb -0.10 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1m44 s VAL 64 CO 0.08 0.33 -0.06 0.27 -3.33 0.00 0.00 175.10 172.39 1m44 s ILE 65 N 1.56 3.24 -0.04 7.04 -5.25 -0.22 -2.19 121.20 125.34 1m44 s ILE 65 Ca 0.03 -1.86 -0.18 0.00 -0.99 0.00 0.00 60.65 57.65 1m44 s ILE 65 Cb -0.14 -2.67 -0.05 0.00 2.95 0.00 0.00 42.46 42.55 1m44 s ILE 65 CO -0.09 -0.26 0.51 -1.58 -1.79 0.00 0.00 174.94 171.73 1m44 s GLN 66 N -3.29 4.23 0.32 0.37 0.74 -1.26 -0.04 119.66 120.73 1m44 s GLN 66 Ca 0.28 0.56 -0.04 0.00 0.05 0.00 0.00 55.36 56.22 1m44 s GLN 66 Cb -0.07 -3.34 0.02 0.00 1.10 0.00 0.00 33.01 30.71 1m44 s GLN 66 CO 0.17 0.39 0.49 2.89 -0.55 0.00 0.00 175.29 178.68 1m44 n ARG 67 N 2.78 0.70 -4.92 1.67 1.85 -0.50 -4.96 116.66 113.27 1m44 n ARG 67 Ca -0.09 -2.35 -0.32 0.00 -1.00 0.00 0.00 57.85 54.09 1m44 n ARG 67 Cb 0.51 2.38 -0.14 0.00 -1.05 0.00 0.00 32.46 34.17 1m44 n ARG 67 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1m44 s ARG 68 N -2.57 2.30 -0.10 2.89 1.81 -1.26 -1.06 118.95 120.97 1m44 s ARG 68 Ca 0.23 -0.82 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 1m44 s ARG 68 Cb -0.02 -2.25 0.01 0.00 -0.45 0.00 0.00 34.95 32.24 1m44 s ARG 68 CO 0.17 0.59 -0.19 -0.51 -0.68 0.00 0.00 175.30 174.67 1m44 s LEU 69 N -0.89 1.92 -0.18 2.53 1.43 -0.66 -2.63 118.68 120.21 1m44 s LEU 69 Ca 0.12 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 1m44 s LEU 69 Cb -0.10 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1m44 s LEU 69 CO 0.01 0.09 0.67 -0.63 0.23 0.00 0.00 176.35 176.72 1m44 s ILE 70 N 0.62 5.01 -0.03 -0.59 1.01 0.58 -0.51 121.20 127.28 1m44 s ILE 70 Ca -0.14 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.78 1m44 s ILE 70 Cb -0.17 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1m44 s ILE 70 CO 0.04 0.12 0.05 -0.47 0.00 0.00 0.00 174.94 174.68 1m44 s TYR 71 N 1.79 0.05 -1.46 3.97 5.04 0.05 -1.63 117.35 125.16 1m44 s TYR 71 Ca 0.31 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 55.07 1m44 s TYR 71 Cb -0.16 -0.41 0.06 0.00 0.35 0.00 0.00 41.96 41.80 1m44 s TYR 71 CO 0.11 -0.16 0.88 0.54 -1.34 0.00 0.00 175.55 175.58 1m44 n ARG 72 N 4.99 -5.24 -0.96 4.97 1.74 -1.26 -1.61 116.66 119.29 1m44 n ARG 72 Ca -0.10 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1m44 n ARG 72 Cb 0.50 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 1m44 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m44 n GLY 73 N -1.67 0.52 3.28 -0.13 0.00 -1.26 -5.01 105.19 100.92 1m44 n GLY 73 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1m44 n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m44 s ASN 74 N -2.27 3.22 -0.85 1.61 0.01 -0.63 -5.07 114.94 110.95 1m44 s ASN 74 Ca 0.00 -0.48 -0.23 0.00 -0.71 0.00 0.00 52.86 51.44 1m44 s ASN 74 Cb 0.00 -1.02 0.07 0.00 0.41 0.00 0.00 41.25 40.71 1m44 s ASN 74 CO 0.00 0.23 1.21 0.00 -1.51 0.00 0.00 177.10 177.03 1m44 s ALA 75 N -0.06 3.00 0.32 0.60 0.00 -1.26 -0.77 121.76 123.60 1m44 s ALA 75 Ca -0.06 -2.12 -0.28 0.00 0.00 0.00 0.00 51.96 49.50 1m44 s ALA 75 Cb -0.15 -4.18 -0.09 0.00 0.00 0.00 0.00 23.12 18.70 1m44 s ALA 75 CO 0.05 -3.17 1.12 -0.51 0.00 0.00 0.00 175.76 173.24 1m44 s LEU 76 N 4.28 4.41 -0.50 0.00 1.43 0.34 -4.79 118.68 123.86 1m44 s LEU 76 Ca 0.34 2.28 -0.28 0.00 -1.03 0.00 0.00 54.13 55.44 1m44 s LEU 76 Cb -0.07 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.39 1m44 s LEU 76 CO -0.00 -0.32 1.12 -0.60 0.23 0.00 0.00 176.35 176.78 1m44 s ARG 77 N -1.79 3.65 -0.07 1.70 3.52 -1.26 -1.65 118.95 123.05 1m44 s ARG 77 Ca 0.49 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.55 1m44 s ARG 77 Cb -0.31 -3.93 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 1m44 s ARG 77 CO 0.39 -1.42 -0.10 0.00 -0.81 0.00 0.00 175.30 173.36 1m44 s GLY 79 N -0.68 1.96 -0.15 0.00 0.00 -0.28 -1.41 107.32 106.75 1m44 s GLY 79 Ca 0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 1m44 s GLY 79 CO 0.01 0.74 -0.02 -0.47 0.00 0.00 0.00 173.10 173.36 1m44 s TYR 80 N 1.74 3.06 0.00 1.90 5.04 0.95 -1.38 117.35 128.66 1m44 s TYR 80 Ca 0.06 -0.22 -0.21 0.00 -2.44 0.00 0.00 57.07 54.27 1m44 s TYR 80 Cb -0.17 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.12 1m44 s TYR 80 CO 0.11 0.02 0.61 0.08 -1.34 0.00 0.00 175.55 175.03 1m44 s VAL 81 N 0.28 4.89 0.02 3.14 1.01 -0.22 -1.05 120.40 128.47 1m44 s VAL 81 Ca -0.02 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.25 1m44 s VAL 81 Cb -0.14 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1m44 s VAL 81 CO 0.02 0.41 -0.04 -1.61 0.00 0.00 0.00 175.10 173.89 1m44 s GLU 82 N -0.17 0.33 -1.21 2.72 0.41 0.05 -4.68 118.70 116.15 1m44 s GLU 82 Ca 0.32 -0.58 -0.06 0.00 -0.41 0.00 0.00 54.97 54.24 1m44 s GLU 82 Cb -0.18 0.00 0.01 0.00 -1.78 0.00 0.00 34.13 32.17 1m44 s GLU 82 CO 0.18 -0.02 0.76 0.41 -0.49 0.00 0.00 175.26 176.10 1m44 n GLY 83 N 1.74 -0.30 3.67 -1.39 0.00 -1.26 -0.98 105.19 106.66 1m44 n GLY 83 Ca -0.22 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1m44 n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m44 s VAL 84 N -3.18 3.95 -0.17 1.61 1.01 -1.26 -4.14 120.40 118.23 1m44 s VAL 84 Ca 0.38 1.21 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 1m44 s VAL 84 Cb -0.17 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1m44 s VAL 84 CO 0.47 -0.07 0.44 0.00 0.00 0.00 0.00 175.10 175.94 1m44 s ALA 85 N 3.29 -1.10 -0.06 5.51 0.00 -0.18 -5.01 121.76 124.21 1m44 s ALA 85 Ca 0.62 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.87 1m44 s ALA 85 Cb -0.27 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.12 1m44 s ALA 85 CO 0.22 -0.21 -0.11 0.08 0.00 0.00 0.00 175.76 175.74 1m44 s VAL 86 N 0.30 1.01 0.36 0.00 1.01 -1.26 -0.74 120.40 121.08 1m44 s VAL 86 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1m44 s VAL 86 Cb -0.03 -0.93 -0.12 0.00 0.00 0.00 0.00 36.38 35.30 1m44 s VAL 86 CO -0.00 0.32 1.32 -1.14 0.00 0.00 0.00 175.10 175.60 1m44 n ARG 87 N 3.80 2.19 0.33 2.72 0.63 -0.18 -4.82 116.66 121.33 1m44 n ARG 87 Ca -0.23 0.77 0.22 0.00 -0.92 0.00 0.00 57.85 57.69 1m44 n ARG 87 Cb 0.52 -2.40 1.11 0.00 0.45 0.00 0.00 32.46 32.14 1m44 n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1m44 h ALA 88 N 2.53 1.00 -0.01 5.13 0.00 -1.93 0.10 119.26 126.08 1m44 h ALA 88 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1m44 h ALA 88 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1m44 h ALA 88 CO 0.62 0.00 -0.09 -0.40 0.00 0.00 0.00 179.25 179.38 1m44 n ASP 89 N -3.07 1.06 -0.59 0.00 5.75 -1.26 -3.97 116.55 114.48 1m44 n ASP 89 Ca -0.02 -1.14 0.06 0.00 -0.01 0.00 0.00 54.79 53.68 1m44 n ASP 89 Cb 0.12 0.03 0.19 0.00 -1.03 0.00 0.00 41.12 40.43 1m44 n ASP 89 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1m44 n TRP 90 N -0.34 0.37 -2.14 2.11 7.02 0.35 -5.05 117.44 119.76 1m44 n TRP 90 Ca 0.17 -1.26 -0.27 0.00 -1.02 0.00 0.00 57.50 55.12 1m44 n TRP 90 Cb 0.32 -0.28 0.06 0.00 -2.42 0.00 0.00 31.31 28.99 1m44 n TRP 90 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1m44 s ARG 91 N -3.06 2.53 -1.32 -0.99 1.81 -1.24 -4.17 118.95 112.51 1m44 s ARG 91 Ca 0.38 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.43 1m44 s ARG 91 Cb 0.34 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 1m44 s ARG 91 CO 0.00 -1.09 0.00 0.41 -0.68 0.00 0.00 175.30 173.95 1m44 n GLY 92 N -2.90 1.14 0.15 -3.53 0.00 -1.26 -4.86 105.19 93.93 1m44 n GLY 92 Ca 0.07 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1m44 n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m44 n GLN 93 N -2.57 1.38 -2.38 1.61 1.13 -1.26 -4.96 117.38 110.33 1m44 n GLN 93 Ca -0.13 -2.64 -0.15 0.00 -1.94 0.00 0.00 57.00 52.14 1m44 n GLN 93 Cb 0.45 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 1m44 n GLN 93 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1m44 n ARG 94 N -1.37 -2.04 0.20 -1.09 1.74 -1.26 -4.88 116.66 107.95 1m44 n ARG 94 Ca 0.17 0.72 0.06 0.00 -0.77 0.00 0.00 57.85 58.02 1m44 n ARG 94 Cb 0.66 -5.32 0.40 0.00 -1.02 0.00 0.00 32.46 27.18 1m44 n ARG 94 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1m44 h LEU 95 N 0.00 0.00 -0.64 0.55 3.38 -1.93 -2.42 115.31 114.25 1m44 h LEU 95 Ca -0.35 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1m44 h LEU 95 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1m44 h LEU 95 CO 0.41 0.34 0.15 0.58 0.09 0.00 0.00 178.44 180.01 1m44 h VAL 96 N 0.00 1.26 -0.68 1.22 2.07 -1.95 -0.68 116.25 117.49 1m44 h VAL 96 Ca -0.00 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1m44 h VAL 96 Cb 0.75 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1m44 h VAL 96 CO 0.04 0.36 0.28 -1.28 0.02 0.00 0.00 177.57 176.99 1m44 h SER 97 N 0.96 0.91 -0.49 0.57 0.87 -1.91 0.24 113.55 114.70 1m44 h SER 97 Ca 0.20 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1m44 h SER 97 Cb 0.38 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1m44 h SER 97 CO 0.00 0.81 0.16 0.00 -0.53 0.00 0.00 176.83 177.27 1m44 h ALA 98 N 1.33 0.64 -0.16 6.23 0.00 -0.94 -0.12 119.26 126.24 1m44 h ALA 98 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1m44 h ALA 98 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1m44 h ALA 98 CO -0.02 0.29 0.09 -0.07 0.00 0.00 0.00 179.25 179.54 1m44 h LEU 99 N 0.65 0.15 -1.24 0.00 3.38 -0.44 -2.70 115.31 115.12 1m44 h LEU 99 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1m44 h LEU 99 Cb 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1m44 h LEU 99 CO -0.01 0.12 -0.35 -0.07 0.09 0.00 0.00 178.44 178.22 1m44 h LEU 100 N 0.20 0.05 -0.83 1.67 3.38 -0.68 -0.25 115.31 118.84 1m44 h LEU 100 Ca 0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1m44 h LEU 100 Cb -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1m44 h LEU 100 CO -0.03 0.40 0.55 0.44 0.09 0.00 0.00 178.44 179.89 1m44 h ASP 101 N 0.04 0.96 -0.05 -0.43 3.32 -0.76 0.12 116.42 119.62 1m44 h ASP 101 Ca 0.00 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1m44 h ASP 101 Cb 0.65 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1m44 h ASP 101 CO 0.05 0.70 -0.23 0.00 -1.72 0.00 0.00 179.24 178.04 1m44 h ALA 102 N 1.30 0.10 -0.55 3.45 0.00 -1.05 -2.44 119.26 120.06 1m44 h ALA 102 Ca 0.30 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1m44 h ALA 102 Cb -0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1m44 h ALA 102 CO -0.06 0.08 0.24 0.28 0.00 0.00 0.00 179.25 179.79 1m44 h VAL 103 N -0.30 0.86 -0.07 0.00 2.07 -0.85 -2.45 116.25 115.52 1m44 h VAL 103 Ca -0.01 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1m44 h VAL 103 Cb 0.88 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1m44 h VAL 103 CO 0.05 0.08 -0.45 -0.33 0.02 0.00 0.00 177.57 176.94 1m44 h GLU 104 N 0.45 0.15 -0.59 1.57 5.08 -0.82 -1.50 114.58 118.92 1m44 h GLU 104 Ca 0.26 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1m44 h GLU 104 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1m44 h GLU 104 CO -0.23 0.58 0.26 0.37 -1.00 0.00 0.00 179.01 178.99 1m44 h GLN 105 N 0.13 0.86 -0.69 2.33 4.15 -1.01 0.14 115.11 121.02 1m44 h GLN 105 Ca 0.01 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 1m44 h GLN 105 Cb 0.85 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1m44 h GLN 105 CO 0.07 0.71 0.19 0.28 -1.93 0.00 0.00 178.83 178.15 1m44 h VAL 106 N 0.81 1.26 -0.21 2.39 2.07 -0.97 -2.18 116.25 119.41 1m44 h VAL 106 Ca 0.20 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1m44 h VAL 106 Cb 0.15 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1m44 h VAL 106 CO -0.02 0.35 0.04 0.24 0.02 0.00 0.00 177.57 178.20 1m44 h MET 107 N 1.03 0.35 -0.06 1.57 2.86 -0.69 -1.14 114.93 118.84 1m44 h MET 107 Ca 0.22 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1m44 h MET 107 Cb 0.33 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1m44 h MET 107 CO -0.00 0.49 -0.06 0.00 1.06 0.00 0.00 176.91 178.39 1m44 h ARG 108 N 0.15 0.09 0.00 1.72 3.08 -0.88 -1.30 114.38 117.23 1m44 h ARG 108 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1m44 h ARG 108 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1m44 h ARG 108 CO 0.00 0.16 -0.63 0.78 -1.07 0.00 0.00 179.97 179.22 1m44 h GLY 109 N 0.37 0.00 0.00 0.04 0.00 -0.98 -3.42 103.07 99.09 1m44 h GLY 109 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1m44 h GLY 109 CO 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.45 1m44 n ALA 110 N -2.03 0.97 -2.40 3.60 0.00 -0.47 -5.10 120.51 115.07 1m44 n ALA 110 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1m44 n ALA 110 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1m44 n ALA 110 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1m44 s TYR 111 N -0.59 1.80 -0.16 0.00 2.02 -0.52 -5.01 117.35 114.89 1m44 s TYR 111 Ca 0.00 -0.98 0.17 0.00 -0.37 0.00 0.00 57.07 55.90 1m44 s TYR 111 Cb 0.00 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1m44 s TYR 111 CO 0.00 -0.05 1.06 1.96 -1.57 0.00 0.00 175.55 176.95 1m44 h GLN 112 N 2.25 0.00 -2.67 -0.62 4.20 -0.86 -3.45 115.11 113.96 1m44 h GLN 112 Ca -0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1m44 h GLN 112 Cb 1.24 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.88 1m44 h GLN 112 CO 0.67 0.29 0.27 -0.48 -0.67 0.00 0.00 178.83 178.91 1m44 s LEU 113 N -5.93 -0.54 0.07 1.46 2.34 -1.14 -1.11 118.68 113.83 1m44 s LEU 113 Ca -0.00 0.13 -0.01 0.00 0.06 0.00 0.00 54.13 54.30 1m44 s LEU 113 Cb 0.08 2.47 -0.04 0.00 -0.56 0.00 0.00 46.19 48.14 1m44 s LEU 113 CO 0.78 -0.83 0.24 -0.83 -1.06 0.00 0.00 176.35 174.65 1m44 s GLY 114 N -2.41 2.20 0.04 -3.48 0.00 0.13 -1.12 107.32 102.69 1m44 s GLY 114 Ca -0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 1m44 s GLY 114 CO -0.08 -0.74 0.28 0.00 0.00 0.00 0.00 173.10 172.56 1m44 s ALA 115 N -1.51 -0.61 0.16 3.20 0.00 -0.48 -0.29 121.76 122.23 1m44 s ALA 115 Ca 0.35 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 1m44 s ALA 115 Cb -0.13 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.37 1m44 s ALA 115 CO 0.26 -0.40 0.77 -0.48 0.00 0.00 0.00 175.76 175.91 1m44 s LEU 116 N -2.07 -0.35 -0.12 0.00 0.05 -0.52 -1.06 118.68 114.61 1m44 s LEU 116 Ca -0.05 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 53.86 1m44 s LEU 116 Cb -0.01 2.44 -0.02 0.00 -2.05 0.00 0.00 46.19 46.55 1m44 s LEU 116 CO -0.04 -1.01 -0.12 -0.94 -0.55 0.00 0.00 176.35 173.70 1m44 s SER 117 N -2.80 4.11 0.07 1.48 1.04 -1.26 -1.10 113.70 115.25 1m44 s SER 117 Ca 0.07 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.27 1m44 s SER 117 Cb -0.03 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1m44 s SER 117 CO -0.03 0.20 -0.02 -0.55 0.98 0.00 0.00 173.24 173.83 1m44 s SER 118 N 0.12 4.93 0.77 7.02 0.15 0.67 -4.99 113.70 122.36 1m44 s SER 118 Ca -0.06 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 1m44 s SER 118 Cb -0.15 -1.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1m44 s SER 118 CO 0.04 0.20 1.10 -0.94 1.20 0.00 0.00 173.24 174.84 1m44 s SER 119 N -2.13 4.80 0.26 5.45 1.04 -1.26 -4.84 113.70 117.02 1m44 s SER 119 Ca 0.24 1.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 1m44 s SER 119 Cb -0.12 -2.01 0.33 0.00 0.10 0.00 0.00 66.02 64.33 1m44 s SER 119 CO 0.16 -1.77 1.82 0.00 0.98 0.00 0.00 173.24 174.43 1m44 h ALA 120 N -0.95 1.17 0.00 5.32 0.00 -1.98 -2.87 119.26 119.95 1m44 h ALA 120 Ca -0.46 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1m44 h ALA 120 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1m44 h ALA 120 CO 0.61 0.58 -0.34 0.07 0.00 0.00 0.00 179.25 180.17 1m44 h ARG 121 N 0.91 0.00 0.00 0.00 0.11 -2.06 -3.10 114.38 110.25 1m44 h ARG 121 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1m44 h ARG 121 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1m44 h ARG 121 CO -0.01 0.34 -0.39 0.00 0.10 0.00 0.00 179.97 180.01 1m44 n ALA 122 N -2.30 2.90 -0.20 0.08 0.00 -1.09 -4.15 120.51 115.75 1m44 n ALA 122 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1m44 n ALA 122 Cb 0.47 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.78 1m44 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m44 h ARG 123 N 0.00 0.36 -0.20 0.00 3.08 -1.45 -2.73 114.38 113.44 1m44 h ARG 123 Ca 0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1m44 h ARG 123 Cb 0.63 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1m44 h ARG 123 CO 0.00 0.24 0.03 -0.09 -1.07 0.00 0.00 179.97 179.08 1m44 h ARG 124 N 0.37 0.11 -0.55 0.04 2.43 -1.80 -1.56 114.38 113.42 1m44 h ARG 124 Ca 0.31 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1m44 h ARG 124 Cb 0.40 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1m44 h ARG 124 CO -0.33 0.07 0.21 1.25 -1.51 0.00 0.00 179.97 179.67 1m44 h LEU 125 N 0.11 0.77 -0.42 3.80 5.85 -1.76 -1.72 115.31 121.94 1m44 h LEU 125 Ca 0.09 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1m44 h LEU 125 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1m44 h LEU 125 CO -0.13 0.74 0.27 1.88 -0.34 0.00 0.00 178.44 180.86 1m44 h TYR 126 N 0.76 0.54 -0.64 1.25 0.05 -1.27 -2.30 116.97 115.36 1m44 h TYR 126 Ca 0.18 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1m44 h TYR 126 Cb 0.22 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1m44 h TYR 126 CO 0.01 0.36 0.33 0.00 -1.05 0.00 0.00 178.16 177.81 1m44 h ALA 127 N 1.14 1.38 0.00 3.88 0.00 -1.14 -1.06 119.26 123.45 1m44 h ALA 127 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1m44 h ALA 127 Cb -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1m44 h ALA 127 CO -0.03 0.50 -0.08 0.66 0.00 0.00 0.00 179.25 180.30 1m44 h SER 128 N 0.89 0.00 -0.30 0.00 4.64 -0.78 -2.00 113.55 116.00 1m44 h SER 128 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1m44 h SER 128 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1m44 h SER 128 CO -0.03 0.08 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 1m44 n ARG 129 N -3.69 2.17 0.00 4.77 1.74 -0.46 -4.92 116.66 116.26 1m44 n ARG 129 Ca -0.02 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 1m44 n ARG 129 Cb 0.18 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1m44 n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m44 n GLY 130 N 1.34 0.49 3.77 -0.13 0.00 -0.75 -5.06 105.19 104.83 1m44 n GLY 130 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1m44 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1m44 s TRP 131 N -2.00 3.25 -0.14 1.61 0.52 -0.83 -4.85 118.94 116.51 1m44 s TRP 131 Ca 0.00 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.68 1m44 s TRP 131 Cb 0.00 -3.41 -0.03 0.00 -1.15 0.00 0.00 33.47 28.89 1m44 s TRP 131 CO 0.00 -1.14 -0.06 -0.51 0.02 0.00 0.00 176.95 175.26 1m44 s LEU 132 N -1.97 3.13 0.19 2.99 1.43 0.71 -4.20 118.68 120.96 1m44 s LEU 132 Ca 0.51 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 1m44 s LEU 132 Cb -0.33 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 1m44 s LEU 132 CO 0.42 0.20 1.26 -2.16 0.23 0.00 0.00 176.35 176.31 1m44 s PRO 133 N 0.15 4.43 -0.10 1.29 0.04 -1.26 -0.82 135.00 138.73 1m44 s PRO 133 Ca -0.03 1.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1m44 s PRO 133 Cb -0.14 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1m44 s PRO 133 CO 0.03 -0.19 0.84 -0.46 0.04 0.00 0.00 177.00 177.27 1m44 s TRP 134 N 0.03 3.52 -0.18 0.56 -0.11 0.57 -4.92 118.94 118.41 1m44 s TRP 134 Ca 0.55 1.38 0.17 0.00 1.22 0.00 0.00 56.10 59.42 1m44 s TRP 134 Cb -0.35 -2.99 -0.24 0.00 -1.50 0.00 0.00 33.47 28.39 1m44 s TRP 134 CO 0.38 -0.10 0.08 0.72 -4.62 0.00 0.00 176.95 173.41 1m44 n HIS 135 N 4.53 0.00 -1.11 5.86 8.25 0.50 -4.25 115.22 129.00 1m44 n HIS 135 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1m44 n HIS 135 Cb 0.50 -0.93 0.18 0.00 1.12 0.00 0.00 29.99 30.86 1m44 n HIS 135 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1m44 s GLY 136 N -5.32 1.57 0.29 -1.41 0.00 -0.33 -4.85 107.32 97.27 1m44 s GLY 136 Ca -0.09 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 1m44 s GLY 136 CO 0.79 0.30 1.34 2.56 0.00 0.00 0.00 173.10 178.10 1m44 s PRO 137 N -4.91 4.34 0.08 2.90 0.04 -1.26 -4.79 135.00 131.40 1m44 s PRO 137 Ca 0.65 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1m44 s PRO 137 Cb -0.19 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1m44 s PRO 137 CO 0.58 -0.26 0.23 0.95 0.04 0.00 0.00 177.00 178.54 1m44 s THR 138 N -0.65 5.37 0.29 1.26 -4.23 -1.26 -2.07 115.64 114.35 1m44 s THR 138 Ca 0.53 -0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1m44 s THR 138 Cb -0.40 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 69.79 1m44 s THR 138 CO 0.48 0.10 0.44 -0.44 -0.54 0.00 0.00 174.62 174.66 1m44 s SER 139 N -2.62 0.41 -0.01 3.99 0.01 -0.58 -1.25 113.70 113.66 1m44 s SER 139 Ca 0.35 -1.25 0.03 0.00 1.31 0.00 0.00 55.95 56.39 1m44 s SER 139 Cb -0.13 0.60 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 1m44 s SER 139 CO 0.28 -1.19 -0.10 0.54 0.41 0.00 0.00 173.24 173.17 1m44 s VAL 140 N -3.54 0.81 -1.04 3.43 0.11 -0.05 -1.02 120.40 119.10 1m44 s VAL 140 Ca 0.28 -0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 58.68 1m44 s VAL 140 Cb 0.00 -0.68 0.12 0.00 -1.53 0.00 0.00 36.38 34.29 1m44 s VAL 140 CO 0.15 0.21 1.31 -0.22 -3.33 0.00 0.00 175.10 173.21 1m44 s LEU 141 N -0.29 4.66 0.81 2.54 2.96 0.06 -0.85 118.68 128.56 1m44 s LEU 141 Ca 0.04 -2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 51.65 1m44 s LEU 141 Cb -0.04 -2.45 0.08 0.00 0.50 0.00 0.00 46.19 44.28 1m44 s LEU 141 CO -0.00 -1.08 1.16 0.00 -1.32 0.00 0.00 176.35 175.10 1m44 s ALA 142 N 3.00 2.56 0.60 5.97 0.00 -1.01 -3.62 121.76 129.26 1m44 s ALA 142 Ca 0.39 -0.58 0.37 0.00 0.00 0.00 0.00 51.96 52.14 1m44 s ALA 142 Cb -0.03 -2.98 2.00 0.00 0.00 0.00 0.00 23.12 22.11 1m44 s ALA 142 CO -0.06 -1.68 2.12 -1.35 0.00 0.00 0.00 175.76 174.79 1m44 h PRO 143 N -1.06 0.00 -0.42 0.00 0.11 -2.01 0.53 132.00 129.15 1m44 h PRO 143 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1m44 h PRO 143 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1m44 h PRO 143 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 1m44 n THR 144 N -2.93 1.41 0.00 -1.15 -2.24 -1.26 -5.08 114.28 103.03 1m44 n THR 144 Ca -0.02 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1m44 n THR 144 Cb 0.20 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1m44 n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m44 n GLY 145 N 0.53 1.30 3.75 3.38 0.00 0.18 -5.07 105.19 109.26 1m44 n GLY 145 Ca 0.17 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1m44 n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1m44 n PRO 146 N -1.15 2.52 -4.04 1.61 -0.02 -1.26 -2.40 135.00 130.26 1m44 n PRO 146 Ca 0.00 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.16 1m44 n PRO 146 Cb 0.00 -2.57 -0.17 0.00 -0.02 0.00 0.00 33.50 30.74 1m44 n PRO 146 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m44 s VAL 147 N -1.08 0.48 0.49 -1.45 1.01 -0.03 -4.89 120.40 114.93 1m44 s VAL 147 Ca 0.54 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 1m44 s VAL 147 Cb -0.50 -0.54 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 1m44 s VAL 147 CO 0.63 0.23 1.30 -0.13 0.00 0.00 0.00 175.10 177.13 1m44 s ARG 148 N 1.19 3.48 -0.59 2.72 1.81 -1.26 -0.87 118.95 125.42 1m44 s ARG 148 Ca -0.07 2.11 0.06 0.00 -1.72 0.00 0.00 55.73 56.11 1m44 s ARG 148 Cb -0.14 -2.40 0.30 0.00 -0.45 0.00 0.00 34.95 32.25 1m44 s ARG 148 CO -0.02 -0.88 0.83 0.25 -0.68 0.00 0.00 175.30 174.80 1m44 n THR 149 N -0.64 2.47 0.07 0.02 -2.24 -0.38 -4.84 114.28 108.74 1m44 n THR 149 Ca 0.08 -5.32 0.12 0.00 -2.27 0.00 0.00 64.05 56.67 1m44 n THR 149 Cb 0.45 -1.70 0.60 0.00 -2.10 0.00 0.00 70.33 67.58 1m44 n THR 149 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1m44 h PRO 150 N 3.57 0.15 0.00 -0.78 0.13 -1.94 -0.06 132.00 133.07 1m44 h PRO 150 Ca 0.16 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1m44 h PRO 150 Cb 0.61 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1m44 h PRO 150 CO 0.80 0.10 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.22 1m44 h ASP 151 N 0.16 0.00 0.11 1.44 3.32 -1.96 -1.56 116.42 117.92 1m44 h ASP 151 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1m44 h ASP 151 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1m44 h ASP 151 CO -0.02 0.01 -0.20 0.47 -1.72 0.00 0.00 179.24 177.78 1m44 n ASP 152 N -3.15 1.47 -4.77 6.45 8.00 -0.04 -4.91 116.55 119.60 1m44 n ASP 152 Ca -0.01 -1.24 -0.40 0.00 0.71 0.00 0.00 54.79 53.84 1m44 n ASP 152 Cb 0.19 0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1m44 n ASP 152 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1m44 s ASP 153 N -2.32 6.27 -0.07 -2.24 1.01 -0.59 -2.20 116.67 116.53 1m44 s ASP 153 Ca 0.27 2.77 0.00 0.00 0.71 0.00 0.00 52.55 56.31 1m44 s ASP 153 Cb 0.20 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1m44 s ASP 153 CO 0.46 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1m44 n GLY 154 N 0.64 0.45 0.00 0.21 0.00 -1.26 -4.86 105.19 100.37 1m44 n GLY 154 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1m44 n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m44 n THR 155 N -2.83 0.00 -3.35 2.61 -2.24 -0.94 -5.01 114.28 102.53 1m44 n THR 155 Ca -0.01 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 1m44 n THR 155 Cb 0.09 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1m44 n THR 155 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m44 s VAL 156 N -1.20 4.93 0.10 2.28 1.01 -1.26 -0.24 120.40 126.02 1m44 s VAL 156 Ca 0.00 1.05 0.09 0.00 0.00 0.00 0.00 61.98 63.13 1m44 s VAL 156 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1m44 s VAL 156 CO 0.00 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 175.01 1m44 s PHE 157 N -0.71 2.08 0.10 5.22 0.40 -0.26 -0.32 117.98 124.49 1m44 s PHE 157 Ca 0.27 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1m44 s PHE 157 Cb -0.18 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1m44 s PHE 157 CO 0.16 0.23 -0.17 0.14 0.70 0.00 0.00 175.22 176.27 1m44 s VAL 158 N -1.02 1.46 -0.45 -0.44 -7.23 -0.00 -1.44 120.40 111.28 1m44 s VAL 158 Ca 0.10 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1m44 s VAL 158 Cb -0.10 -1.42 0.12 0.00 0.56 0.00 0.00 36.38 35.55 1m44 s VAL 158 CO 0.04 -0.20 0.20 -0.22 -0.31 0.00 0.00 175.10 174.62 1m44 s LEU 159 N -2.02 3.70 0.35 1.32 2.96 0.60 -0.21 118.68 125.39 1m44 s LEU 159 Ca 0.05 -2.64 -0.28 0.00 -0.22 0.00 0.00 54.13 51.05 1m44 s LEU 159 Cb -0.09 -1.38 -0.10 0.00 0.50 0.00 0.00 46.19 45.12 1m44 s LEU 159 CO 0.04 -0.28 1.26 -2.84 -1.32 0.00 0.00 176.35 173.21 1m44 s PRO 160 N 0.27 4.28 -0.40 0.98 0.02 -1.26 -0.69 135.00 138.19 1m44 s PRO 160 Ca 0.16 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.24 1m44 s PRO 160 Cb -0.24 -2.97 0.10 0.00 0.02 0.00 0.00 34.50 31.41 1m44 s PRO 160 CO -0.03 -0.21 0.20 0.42 -0.33 0.00 0.00 177.00 177.05 1m44 s ILE 161 N -1.20 3.46 -0.98 2.83 -1.09 -0.27 -4.72 121.20 119.24 1m44 s ILE 161 Ca 0.51 -1.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.01 1m44 s ILE 161 Cb -0.37 -3.29 0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1m44 s ILE 161 CO 0.49 -0.62 0.16 0.47 -1.23 0.00 0.00 174.94 174.21 1m44 n ASP 162 N 4.67 -3.38 -4.03 3.58 8.00 -1.26 -4.75 116.55 119.37 1m44 n ASP 162 Ca -0.05 0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 1m44 n ASP 162 Cb 0.42 -2.87 -0.12 0.00 -0.02 0.00 0.00 41.12 38.52 1m44 n ASP 162 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1m44 s ILE 163 N -2.63 0.46 -0.23 0.53 -4.36 -1.26 -5.14 121.20 108.57 1m44 s ILE 163 Ca 0.14 -0.89 -0.10 0.00 -0.26 0.00 0.00 60.65 59.53 1m44 s ILE 163 Cb -0.07 -0.51 -0.05 0.00 1.25 0.00 0.00 42.46 43.08 1m44 s ILE 163 CO 0.17 -0.30 0.15 -0.44 0.24 0.00 0.00 174.94 174.75 1m44 s SER 164 N -1.29 6.14 -0.06 4.36 0.01 -1.26 -4.77 113.70 116.83 1m44 s SER 164 Ca -0.08 0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.36 1m44 s SER 164 Cb -0.08 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1m44 s SER 164 CO 0.00 0.10 -0.16 -0.76 0.41 0.00 0.00 173.24 172.83 1m44 s LEU 165 N 0.84 2.62 -0.60 2.44 1.43 -1.26 -5.07 118.68 119.09 1m44 s LEU 165 Ca 0.08 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 1m44 s LEU 165 Cb -0.13 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.65 1m44 s LEU 165 CO 0.02 0.32 0.76 -0.62 0.23 0.00 0.00 176.35 177.06 1m44 s ASP 166 N -0.55 6.19 0.00 2.29 -1.08 -1.26 -4.93 116.67 117.33 1m44 s ASP 166 Ca 0.08 -1.23 0.12 0.00 -0.52 0.00 0.00 52.55 51.00 1m44 s ASP 166 Cb -0.11 -2.33 0.73 0.00 -1.46 0.00 0.00 42.92 39.75 1m44 s ASP 166 CO 0.01 -1.17 1.16 0.35 0.52 0.00 0.00 175.17 176.04 1m44 n THR 167 N 5.67 0.00 1.10 1.71 -2.24 -1.26 -1.53 114.28 117.73 1m44 n THR 167 Ca -0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 1m44 n THR 167 Cb 0.44 -0.72 0.27 0.00 -2.10 0.00 0.00 70.33 68.22 1m44 n THR 167 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1m44 n SER 168 N -0.94 0.80 -4.69 3.42 3.41 -1.26 -0.37 113.62 113.99 1m44 n SER 168 Ca 0.09 -0.60 -0.29 0.00 -0.26 0.00 0.00 58.87 57.81 1m44 n SER 168 Cb 0.04 0.26 0.13 0.00 -0.26 0.00 0.00 64.21 64.38 1m44 n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m44 s ALA 169 N -2.78 2.03 0.52 7.33 0.00 -0.58 -3.97 121.76 124.31 1m44 s ALA 169 Ca 0.16 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 1m44 s ALA 169 Cb 0.18 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1m44 s ALA 169 CO 0.63 -2.19 1.02 -2.00 0.00 0.00 0.00 175.76 173.22 1m44 s GLU 170 N -5.45 3.71 -0.05 0.00 2.12 -1.26 -3.68 118.70 114.09 1m44 s GLU 170 Ca 0.65 1.20 -0.01 0.00 0.36 0.00 0.00 54.97 57.17 1m44 s GLU 170 Cb -0.12 -2.09 0.03 0.00 0.26 0.00 0.00 34.13 32.21 1m44 s GLU 170 CO 0.52 -0.49 0.01 -1.17 -0.54 0.00 0.00 175.26 173.59 1m44 s LEU 171 N -3.91 0.74 -0.20 2.70 2.96 -0.88 -4.58 118.68 115.51 1m44 s LEU 171 Ca 0.64 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1m44 s LEU 171 Cb -0.14 -0.32 0.04 0.00 0.50 0.00 0.00 46.19 46.27 1m44 s LEU 171 CO 0.27 -0.16 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.69 1m44 s MET 172 N 1.63 2.32 0.62 1.98 -2.45 -0.65 -1.52 119.30 121.23 1m44 s MET 172 Ca -0.01 -0.87 -0.10 0.00 -1.25 0.00 0.00 55.69 53.47 1m44 s MET 172 Cb -0.13 -2.47 -0.02 0.00 1.25 0.00 0.00 34.83 33.46 1m44 s MET 172 CO -0.03 -0.37 1.00 0.00 1.05 0.00 0.00 175.02 176.67 1m44 s ASP 174 N -4.23 4.37 0.29 0.00 1.47 -1.08 -0.76 116.67 116.73 1m44 s ASP 174 Ca 0.55 0.72 -0.16 0.00 1.18 0.00 0.00 52.55 54.84 1m44 s ASP 174 Cb -0.11 -1.17 -0.09 0.00 -0.34 0.00 0.00 42.92 41.21 1m44 s ASP 174 CO 0.52 -1.98 0.72 0.86 0.68 0.00 0.00 175.17 175.96 1m44 s TRP 175 N -3.60 3.45 0.05 2.11 -0.11 -1.24 -4.72 118.94 114.88 1m44 s TRP 175 Ca 0.63 1.23 -0.27 0.00 1.22 0.00 0.00 56.10 58.91 1m44 s TRP 175 Cb -0.10 -2.53 0.09 0.00 -1.50 0.00 0.00 33.47 29.42 1m44 s TRP 175 CO 0.49 0.17 0.85 -0.98 -4.62 0.00 0.00 176.95 172.86 1m44 s ARG 176 N -2.69 0.97 0.82 5.86 1.70 -1.26 -5.11 118.95 119.23 1m44 s ARG 176 Ca 0.50 -0.39 -0.11 0.00 -0.47 0.00 0.00 55.73 55.27 1m44 s ARG 176 Cb -0.12 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 34.77 1m44 s ARG 176 CO 0.19 -0.43 1.10 0.00 -1.08 0.00 0.00 175.30 175.07 1m44 s ALA 177 N -3.26 1.98 0.00 7.88 0.00 -1.26 -4.66 121.76 122.44 1m44 s ALA 177 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1m44 s ALA 177 Cb -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1m44 s ALA 177 CO -0.08 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.06 1m44 n GLY 178 N -1.01 0.22 3.67 0.00 0.00 -1.26 -4.66 105.19 102.15 1m44 n GLY 178 Ca 0.09 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1m44 n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m44 s ASP 179 N -4.00 6.71 0.19 1.61 1.01 -1.26 -4.89 116.67 116.04 1m44 s ASP 179 Ca 0.00 2.18 0.04 0.00 0.71 0.00 0.00 52.55 55.48 1m44 s ASP 179 Cb 0.00 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.46 1m44 s ASP 179 CO 0.00 -0.88 1.43 -0.37 0.21 0.00 0.00 175.17 175.56 1m44 h VAL 180 N 5.42 1.49 -0.02 -1.27 -1.51 -1.83 -3.48 116.25 115.04 1m44 h VAL 180 Ca -0.38 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 1m44 h VAL 180 Cb 1.17 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1m44 h VAL 180 CO 0.95 0.73 0.00 0.79 -1.23 0.00 0.00 177.57 178.81