#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m44 s HIS 6 N 0.00 3.17 -0.02 3.52 4.02 -1.26 -5.10 115.29 119.62 1m44 s HIS 6 Ca 0.00 0.17 0.06 0.00 1.02 0.00 0.00 55.06 56.31 1m44 s HIS 6 Cb 0.00 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.58 29.81 1m44 s HIS 6 CO 0.00 0.49 -0.19 0.99 1.02 0.00 0.00 174.74 177.05 1m44 s THR 7 N -1.03 1.52 0.26 1.30 2.01 -1.26 -4.83 115.64 113.62 1m44 s THR 7 Ca 0.18 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 1m44 s THR 7 Cb -0.12 -1.27 -0.07 0.00 0.01 0.00 0.00 72.50 71.05 1m44 s THR 7 CO 0.08 0.43 0.60 0.00 -0.69 0.00 0.00 174.62 175.04 1m44 s ALA 8 N -0.44 3.51 -0.12 7.40 0.00 -1.26 -4.85 121.76 126.01 1m44 s ALA 8 Ca 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 1m44 s ALA 8 Cb -0.08 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1m44 s ALA 8 CO -0.01 0.42 0.07 0.50 0.00 0.00 0.00 175.76 176.74 1m44 s ARG 9 N -2.97 3.33 -0.26 0.00 3.52 -0.10 -4.85 118.95 117.62 1m44 s ARG 9 Ca 0.49 -0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.66 1m44 s ARG 9 Cb -0.11 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1m44 s ARG 9 CO 0.22 0.66 0.33 -0.51 -0.81 0.00 0.00 175.30 175.19 1m44 s LEU 10 N -0.74 4.06 -0.08 -0.88 1.43 -1.26 -0.47 118.68 120.74 1m44 s LEU 10 Ca 0.12 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1m44 s LEU 10 Cb -0.12 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1m44 s LEU 10 CO 0.03 -0.13 -0.13 -0.69 0.23 0.00 0.00 176.35 175.66 1m44 s VAL 11 N 1.83 1.25 0.59 -1.59 1.01 0.66 -4.92 120.40 119.24 1m44 s VAL 11 Ca 0.13 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1m44 s VAL 11 Cb -0.15 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1m44 s VAL 11 CO 0.09 0.39 1.13 -2.28 0.00 0.00 0.00 175.10 174.43 1m44 s HIS 12 N 0.84 2.62 0.30 5.22 2.46 -1.26 -0.39 115.29 125.07 1m44 s HIS 12 Ca -0.11 1.55 0.06 0.00 0.47 0.00 0.00 55.06 57.03 1m44 s HIS 12 Cb -0.15 -3.27 0.79 0.00 -0.13 0.00 0.00 32.58 29.82 1m44 s HIS 12 CO 0.02 -1.69 1.73 1.15 -2.47 0.00 0.00 174.74 173.47 1m44 h THR 13 N 0.72 0.55 0.00 0.89 2.02 -1.52 0.10 112.91 115.68 1m44 h THR 13 Ca -0.49 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1m44 h THR 13 Cb 1.26 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1m44 h THR 13 CO 0.56 0.10 -0.03 0.00 0.37 0.00 0.00 175.52 176.52 1m44 h ALA 14 N 1.70 1.09 -0.43 6.16 0.00 -1.90 -1.30 119.26 124.58 1m44 h ALA 14 Ca 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1m44 h ALA 14 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1m44 h ALA 14 CO -0.47 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.56 1m44 n ASP 15 N -3.25 3.05 -4.62 0.00 8.00 0.33 -4.86 116.55 115.20 1m44 n ASP 15 Ca -0.02 -1.94 -0.43 0.00 0.71 0.00 0.00 54.79 53.11 1m44 n ASP 15 Cb 0.18 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.32 3.77 0.80 0.64 1.43 -0.49 -4.93 118.68 118.58 1m44 s LEU 16 Ca 0.38 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1m44 s LEU 16 Cb 0.21 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.96 1m44 s LEU 16 CO 0.29 -1.12 1.11 1.51 0.23 0.00 0.00 176.35 178.37 1m44 s ASP 17 N 2.46 4.12 0.20 2.29 -4.77 -1.26 -4.72 116.67 114.99 1m44 s ASP 17 Ca 0.51 1.97 -0.11 0.00 -3.30 0.00 0.00 52.55 51.61 1m44 s ASP 17 Cb -0.12 -2.54 0.26 0.00 -1.09 0.00 0.00 42.92 39.43 1m44 s ASP 17 CO 0.25 -2.30 1.70 0.28 0.70 0.00 0.00 175.17 175.81 1m44 h SER 18 N -1.17 -0.03 -0.66 2.11 0.02 -1.99 -0.99 113.55 110.83 1m44 h SER 18 Ca -0.44 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1m44 h SER 18 Cb 1.25 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 1m44 h SER 18 CO 0.49 -0.00 0.43 -0.08 -1.14 0.00 0.00 176.83 176.53 1m44 h GLU 19 N 0.23 0.87 -0.35 3.45 4.81 -2.00 -2.02 114.58 119.57 1m44 h GLU 19 Ca 0.29 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 1m44 h GLU 19 Cb 0.43 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1m44 h GLU 19 CO -0.39 0.58 -0.32 1.15 -0.73 0.00 0.00 179.01 179.30 1m44 h THR 20 N 0.89 1.28 -0.61 0.32 2.02 -1.79 -1.04 112.91 113.98 1m44 h THR 20 Ca 0.24 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1m44 h THR 20 Cb -0.09 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1m44 h THR 20 CO -0.05 0.49 0.38 -0.09 0.37 0.00 0.00 175.52 176.62 1m44 h ARG 21 N 0.62 0.83 -0.55 6.66 2.43 -0.99 0.61 114.38 123.98 1m44 h ARG 21 Ca 0.06 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1m44 h ARG 21 Cb 0.90 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1m44 h ARG 21 CO 0.08 0.58 -0.04 1.96 -1.51 0.00 0.00 179.97 181.04 1m44 h GLN 22 N 0.83 1.00 -0.57 0.20 4.20 -1.24 -1.98 115.11 117.55 1m44 h GLN 22 Ca 0.22 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1m44 h GLN 22 Cb -0.04 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1m44 h GLN 22 CO -0.04 1.02 0.16 0.22 -0.67 0.00 0.00 178.83 179.52 1m44 h ASP 23 N 0.89 0.85 -0.34 1.46 3.58 -0.60 -1.64 116.42 120.62 1m44 h ASP 23 Ca 0.15 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1m44 h ASP 23 Cb 0.59 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1m44 h ASP 23 CO 0.04 0.85 0.13 0.40 -2.88 0.00 0.00 179.24 177.77 1m44 h ILE 24 N 0.82 1.19 -0.30 2.25 2.04 -0.74 -0.58 117.51 122.19 1m44 h ILE 24 Ca 0.18 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1m44 h ILE 24 Cb 0.31 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1m44 h ILE 24 CO -0.00 0.21 0.10 -0.09 0.00 0.00 0.00 178.15 178.37 1m44 h ARG 25 N 0.40 0.22 -0.15 2.37 2.43 -1.14 0.61 114.38 119.13 1m44 h ARG 25 Ca 0.11 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1m44 h ARG 25 Cb 0.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1m44 h ARG 25 CO -0.01 0.15 -0.52 -0.56 -1.51 0.00 0.00 179.97 177.52 1m44 h GLN 26 N 0.23 0.42 -0.20 0.20 -0.00 -1.09 -1.11 115.11 113.56 1m44 h GLN 26 Ca 0.14 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 1m44 h GLN 26 Cb 0.11 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.61 1m44 h GLN 26 CO -0.15 0.84 0.01 1.98 -0.00 0.00 0.00 178.83 181.51 1m44 h MET 27 N 0.33 0.35 -0.47 0.06 4.05 -0.57 -1.10 114.93 117.57 1m44 h MET 27 Ca 0.01 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1m44 h MET 27 Cb 1.02 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.77 1m44 h MET 27 CO 0.09 0.53 0.17 0.28 0.23 0.00 0.00 176.91 178.22 1m44 h VAL 28 N 0.11 1.21 -0.63 -5.77 2.07 -0.81 -0.70 116.25 111.73 1m44 h VAL 28 Ca 0.06 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1m44 h VAL 28 Cb 0.37 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1m44 h VAL 28 CO 0.01 0.25 0.38 0.74 0.02 0.00 0.00 177.57 178.97 1m44 h THR 29 N 0.62 1.18 -0.00 2.57 2.02 -1.12 0.19 112.91 118.37 1m44 h THR 29 Ca 0.15 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1m44 h THR 29 Cb 0.22 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1m44 h THR 29 CO -0.01 0.19 -0.27 0.61 0.37 0.00 0.00 175.52 176.41 1m44 n GLY 30 N -1.33 -1.21 0.02 2.16 0.00 -0.42 -3.95 105.19 100.45 1m44 n GLY 30 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1m44 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m44 n ALA 31 N -1.33 2.05 -1.82 4.61 0.00 -0.34 -4.95 120.51 118.73 1m44 n ALA 31 Ca 0.08 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 1m44 n ALA 31 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1m44 n ALA 31 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1m44 s PHE 32 N -2.38 2.89 -0.13 0.00 5.36 0.01 -4.87 117.98 118.87 1m44 s PHE 32 Ca -0.03 0.96 0.15 0.00 -0.96 0.00 0.00 56.93 57.04 1m44 s PHE 32 Cb 0.04 -3.92 -0.01 0.00 -0.34 0.00 0.00 43.02 38.79 1m44 s PHE 32 CO 0.33 -3.00 1.27 0.00 -1.46 0.00 0.00 175.22 172.36 1m44 h ALA 33 N 4.78 0.64 -2.19 11.12 0.00 -1.93 -3.45 119.26 128.23 1m44 h ALA 33 Ca -0.47 -0.59 -0.44 0.00 0.00 0.00 0.00 54.91 53.41 1m44 h ALA 33 Cb 1.22 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.17 1m44 h ALA 33 CO 0.77 0.75 0.30 0.20 0.00 0.00 0.00 179.25 181.26 1m44 s GLY 34 N -4.56 1.65 -0.69 0.00 0.00 -1.26 -4.96 107.32 97.49 1m44 s GLY 34 Ca 0.02 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 43.60 1m44 s GLY 34 CO 0.77 -0.16 1.13 -0.35 0.00 0.00 0.00 173.10 174.49 1m44 s ASP 35 N -4.30 6.18 -0.49 1.64 2.15 -1.26 -4.99 116.67 115.60 1m44 s ASP 35 Ca 0.69 -0.66 -0.24 0.00 0.43 0.00 0.00 52.55 52.77 1m44 s ASP 35 Cb -0.09 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1m44 s ASP 35 CO 0.54 -1.64 0.86 0.12 -0.17 0.00 0.00 175.17 174.87 1m44 s PHE 36 N 4.94 2.92 0.63 -5.34 5.36 -1.26 -4.99 117.98 120.23 1m44 s PHE 36 Ca 0.30 0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.45 1m44 s PHE 36 Cb -0.12 -3.85 0.10 0.00 -0.34 0.00 0.00 43.02 38.82 1m44 s PHE 36 CO 0.13 -1.12 0.87 0.95 -1.46 0.00 0.00 175.22 174.59 1m44 s THR 37 N 3.56 2.11 0.36 0.12 -4.23 -1.26 -4.92 115.64 111.38 1m44 s THR 37 Ca 0.31 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1m44 s THR 37 Cb -0.12 -2.24 0.24 0.00 1.34 0.00 0.00 72.50 71.72 1m44 s THR 37 CO 0.22 0.00 1.99 -0.33 -0.54 0.00 0.00 174.62 175.96 1m44 h GLU 38 N -0.07 0.68 -0.05 3.99 5.08 -1.99 -0.67 114.58 121.54 1m44 h GLU 38 Ca -0.31 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 57.83 1m44 h GLU 38 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1m44 h GLU 38 CO 0.40 0.50 -0.66 1.15 -1.00 0.00 0.00 179.01 179.41 1m44 h THR 39 N 0.68 1.41 -0.44 1.13 2.02 -1.97 -1.70 112.91 114.05 1m44 h THR 39 Ca 0.18 -2.12 -0.08 0.00 0.77 0.00 0.00 66.41 65.16 1m44 h THR 39 Cb 0.03 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1m44 h THR 39 CO -0.03 0.62 -0.05 0.44 0.37 0.00 0.00 175.52 176.87 1m44 h ASP 40 N 0.14 0.72 -0.49 4.18 3.32 -1.66 -1.69 116.42 120.94 1m44 h ASP 40 Ca -0.01 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1m44 h ASP 40 Cb 1.18 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1m44 h ASP 40 CO 0.10 0.82 0.28 -0.25 -1.72 0.00 0.00 179.24 178.47 1m44 h TRP 41 N 0.69 0.66 -0.79 4.55 2.91 -0.69 -2.61 115.95 120.67 1m44 h TRP 41 Ca 0.13 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.18 1m44 h TRP 41 Cb 0.50 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.89 1m44 h TRP 41 CO 0.02 0.48 0.52 1.49 -1.03 0.00 0.00 178.44 179.93 1m44 h GLU 42 N 0.65 0.93 0.00 2.65 4.22 -0.91 -0.14 114.58 121.98 1m44 h GLU 42 Ca 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1m44 h GLU 42 Cb 0.03 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1m44 h GLU 42 CO -0.03 0.62 0.00 0.45 -2.18 0.00 0.00 179.01 177.87 1m44 h HIS 43 N 0.96 0.00 -0.00 0.92 3.86 -0.93 -1.84 115.15 118.12 1m44 h HIS 43 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1m44 h HIS 43 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1m44 h HIS 43 CO -0.00 0.00 -0.13 0.25 0.86 0.00 0.00 177.93 178.91 1m44 n THR 44 N -2.58 0.00 -3.63 2.45 -2.24 -0.07 -4.89 114.28 103.32 1m44 n THR 44 Ca 0.01 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1m44 n THR 44 Cb 0.20 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.80 4.28 0.00 3.22 1.43 -0.69 -4.54 118.68 119.58 1m44 s LEU 45 Ca 0.19 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1m44 s LEU 45 Cb 0.19 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1m44 s LEU 45 CO 0.54 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.81 1m44 n GLY 46 N 0.34 1.93 0.00 -3.19 0.00 -1.26 -4.98 105.19 98.03 1m44 n GLY 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.12 5.35 3.58 -0.02 0.00 -1.26 -4.83 105.19 107.88 1m44 n GLY 47 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 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 4.94 3.86 -0.24 1.61 -1.94 -0.81 -1.30 119.30 125.42 1m44 s MET 48 Ca 0.00 -0.40 -0.10 0.00 -1.71 0.00 0.00 55.69 53.48 1m44 s MET 48 Cb 0.00 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 1m44 s MET 48 CO 0.00 0.21 0.15 -1.01 -0.01 0.00 0.00 175.02 174.36 1m44 s HIS 49 N 0.52 3.28 -0.21 -0.03 4.02 0.48 -0.33 115.29 123.01 1m44 s HIS 49 Ca 0.02 0.14 -0.23 0.00 1.02 0.00 0.00 55.06 56.01 1m44 s HIS 49 Cb -0.13 -2.27 -0.02 0.00 -1.02 0.00 0.00 32.58 29.14 1m44 s HIS 49 CO 0.01 0.00 0.72 0.00 1.02 0.00 0.00 174.74 176.50 1m44 s ALA 50 N 1.16 3.57 0.04 -1.40 0.00 0.19 -0.24 121.76 125.08 1m44 s ALA 50 Ca 0.07 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1m44 s ALA 50 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1m44 s ALA 50 CO 0.05 -0.71 -0.20 -0.51 0.00 0.00 0.00 175.76 174.40 1m44 s LEU 51 N 2.28 2.16 -0.04 0.00 1.43 0.38 -1.61 118.68 123.28 1m44 s LEU 51 Ca 0.32 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1m44 s LEU 51 Cb -0.16 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1m44 s LEU 51 CO 0.10 0.15 -0.11 -0.63 0.23 0.00 0.00 176.35 176.08 1m44 s ILE 52 N -0.77 1.00 0.26 -0.59 1.01 -0.55 -0.92 121.20 120.63 1m44 s ILE 52 Ca 0.07 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.36 1m44 s ILE 52 Cb -0.09 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1m44 s ILE 52 CO 0.01 0.31 -0.06 0.26 0.00 0.00 0.00 174.94 175.46 1m44 s TRP 53 N 0.27 2.59 -0.10 3.97 0.51 -1.26 -0.60 118.94 124.32 1m44 s TRP 53 Ca -0.06 -0.25 -0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1m44 s TRP 53 Cb -0.11 -1.15 0.04 0.00 -0.81 0.00 0.00 33.47 31.44 1m44 s TRP 53 CO 0.01 0.63 0.04 -1.58 -0.51 0.00 0.00 176.95 175.55 1m44 s HIS 54 N -2.30 0.48 -1.43 -1.98 5.65 -0.30 -4.83 115.29 110.58 1m44 s HIS 54 Ca 0.30 -0.19 -0.01 0.00 0.25 0.00 0.00 55.06 55.41 1m44 s HIS 54 Cb -0.06 -0.73 0.01 0.00 -1.18 0.00 0.00 32.58 30.62 1m44 s HIS 54 CO 0.18 -0.37 0.43 0.72 -0.65 0.00 0.00 174.74 175.05 1m44 n HIS 55 N 5.20 -1.64 -0.26 3.88 8.25 -1.26 -2.13 115.22 127.25 1m44 n HIS 55 Ca -0.06 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1m44 n HIS 55 Cb 0.49 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 27.94 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 -1.97 1.52 3.53 -1.41 0.00 -1.26 -5.05 105.19 100.56 1m44 n GLY 56 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.93 2.82 0.04 4.61 0.00 -0.91 -5.09 121.76 120.31 1m44 s ALA 57 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1m44 s ALA 57 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1m44 s ALA 57 CO 0.00 0.60 1.19 0.42 0.00 0.00 0.00 175.76 177.97 1m44 s ILE 58 N -1.01 4.13 -0.13 0.00 -1.09 -1.26 -1.14 121.20 120.70 1m44 s ILE 58 Ca 0.17 1.52 0.05 0.00 -2.23 0.00 0.00 60.65 60.15 1m44 s ILE 58 Cb -0.11 -3.97 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 1m44 s ILE 58 CO 0.08 0.10 0.16 2.30 -1.23 0.00 0.00 174.94 176.34 1m44 n ILE 59 N 4.05 0.00 -3.69 2.92 -5.35 0.23 -4.88 119.36 112.64 1m44 n ILE 59 Ca 0.09 -0.27 -0.14 0.00 -0.27 0.00 0.00 62.75 62.16 1m44 n ILE 59 Cb 0.47 0.74 -0.08 0.00 -1.74 0.00 0.00 39.64 39.02 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 -1.82 -1.12 -0.10 -1.28 0.00 -1.09 -0.61 121.76 115.74 1m44 s ALA 60 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 1m44 s ALA 60 Cb 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1m44 s ALA 60 CO 0.19 -0.27 0.36 -1.58 0.00 0.00 0.00 175.76 174.47 1m44 s HIS 61 N -0.74 -0.35 -0.18 0.00 2.46 0.04 -1.49 115.29 115.03 1m44 s HIS 61 Ca -0.08 0.78 -0.12 0.00 0.47 0.00 0.00 55.06 56.10 1m44 s HIS 61 Cb -0.03 0.13 0.06 0.00 -0.13 0.00 0.00 32.58 32.61 1m44 s HIS 61 CO 0.04 -0.27 0.46 0.00 -2.47 0.00 0.00 174.74 172.50 1m44 s ALA 62 N -0.32 -1.17 0.12 1.58 0.00 -0.63 -1.00 121.76 120.33 1m44 s ALA 62 Ca -0.05 1.55 0.05 0.00 0.00 0.00 0.00 51.96 53.52 1m44 s ALA 62 Cb -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1m44 s ALA 62 CO 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 175.76 175.56 1m44 s ALA 63 N 1.03 3.38 -0.16 0.00 0.00 -0.29 0.54 121.76 126.27 1m44 s ALA 63 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1m44 s ALA 63 Cb -0.06 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.85 1m44 s ALA 63 CO -0.09 0.63 -0.10 0.54 0.00 0.00 0.00 175.76 176.74 1m44 s VAL 64 N -1.48 1.40 0.28 0.00 0.11 0.55 -1.01 120.40 120.25 1m44 s VAL 64 Ca 0.28 -0.67 0.09 0.00 -2.93 0.00 0.00 61.98 58.75 1m44 s VAL 64 Cb -0.11 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 1m44 s VAL 64 CO 0.20 0.30 0.02 0.27 -3.33 0.00 0.00 175.10 172.56 1m44 s ILE 65 N 1.53 3.31 -0.15 7.04 -5.25 -0.13 -1.93 121.20 125.61 1m44 s ILE 65 Ca 0.03 -1.89 -0.11 0.00 -0.99 0.00 0.00 60.65 57.68 1m44 s ILE 65 Cb -0.14 -2.86 -0.05 0.00 2.95 0.00 0.00 42.46 42.36 1m44 s ILE 65 CO -0.09 -0.33 0.22 -1.58 -1.79 0.00 0.00 174.94 171.38 1m44 s GLN 66 N -3.70 4.04 0.22 0.37 0.74 -1.26 -0.14 119.66 119.93 1m44 s GLN 66 Ca 0.33 -0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.70 1m44 s GLN 66 Cb -0.05 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.71 1m44 s GLN 66 CO 0.20 0.41 0.33 2.89 -0.55 0.00 0.00 175.29 178.57 1m44 n ARG 67 N 3.08 0.48 -4.97 1.67 1.85 -0.56 -4.96 116.66 113.25 1m44 n ARG 67 Ca -0.15 -1.66 -0.32 0.00 -1.00 0.00 0.00 57.85 54.72 1m44 n ARG 67 Cb 0.53 1.67 -0.14 0.00 -1.05 0.00 0.00 32.46 33.47 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 -2.41 2.35 -0.10 2.89 1.81 -1.26 -0.61 118.95 121.62 1m44 s ARG 68 Ca 0.16 -0.79 0.04 0.00 -1.72 0.00 0.00 55.73 53.42 1m44 s ARG 68 Cb -0.01 -2.27 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 1m44 s ARG 68 CO 0.12 0.60 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.60 1m44 s LEU 69 N -0.79 2.04 -0.23 2.53 1.43 -0.61 -2.71 118.68 120.34 1m44 s LEU 69 Ca 0.12 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 1m44 s LEU 69 Cb -0.10 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1m44 s LEU 69 CO 0.01 0.15 0.44 -0.63 0.23 0.00 0.00 176.35 176.54 1m44 s ILE 70 N 0.37 5.15 -0.11 -0.59 1.01 0.61 -0.17 121.20 127.46 1m44 s ILE 70 Ca -0.18 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 1m44 s ILE 70 Cb -0.18 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1m44 s ILE 70 CO 0.08 0.18 -0.05 -0.47 0.00 0.00 0.00 174.94 174.68 1m44 s TYR 71 N 1.78 1.31 -1.41 3.97 5.04 -0.27 -1.61 117.35 126.15 1m44 s TYR 71 Ca 0.19 -0.66 -0.11 0.00 -2.44 0.00 0.00 57.07 54.06 1m44 s TYR 71 Cb -0.15 -1.14 0.01 0.00 0.35 0.00 0.00 41.96 41.03 1m44 s TYR 71 CO 0.09 -0.49 0.29 0.54 -1.34 0.00 0.00 175.55 174.64 1m44 n ARG 72 N 4.99 -1.13 -0.80 4.97 1.74 -1.26 -1.15 116.66 124.02 1m44 n ARG 72 Ca -0.11 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1m44 n ARG 72 Cb 0.50 -3.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.47 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 -2.31 1.10 3.50 -0.13 0.00 -1.26 -5.02 105.19 101.06 1m44 n GLY 73 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.98 4.77 -0.80 1.61 -0.87 -0.30 -5.06 114.94 111.32 1m44 s ASN 74 Ca 0.00 -0.13 -0.21 0.00 -1.57 0.00 0.00 52.86 50.95 1m44 s ASN 74 Cb 0.00 -1.77 0.10 0.00 -0.02 0.00 0.00 41.25 39.56 1m44 s ASN 74 CO 0.00 0.17 1.06 0.00 -2.57 0.00 0.00 177.10 175.76 1m44 s ALA 75 N 0.33 3.21 0.35 0.60 0.00 -1.26 -1.11 121.76 123.88 1m44 s ALA 75 Ca -0.04 -2.28 -0.27 0.00 0.00 0.00 0.00 51.96 49.37 1m44 s ALA 75 Cb -0.14 -3.97 -0.09 0.00 0.00 0.00 0.00 23.12 18.92 1m44 s ALA 75 CO 0.03 -2.90 1.14 -0.51 0.00 0.00 0.00 175.76 173.51 1m44 s LEU 76 N 3.47 4.34 -0.42 0.00 1.43 0.76 -4.80 118.68 123.46 1m44 s LEU 76 Ca 0.28 2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 55.39 1m44 s LEU 76 Cb -0.11 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.27 1m44 s LEU 76 CO 0.00 -0.43 1.09 -0.60 0.23 0.00 0.00 176.35 176.65 1m44 s ARG 77 N -1.97 3.83 -0.06 1.70 3.52 -1.26 -1.57 118.95 123.14 1m44 s ARG 77 Ca 0.52 0.71 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 1m44 s ARG 77 Cb -0.30 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.22 1m44 s ARG 77 CO 0.39 -1.19 -0.14 0.00 -0.81 0.00 0.00 175.30 173.55 1m44 s GLY 79 N -0.55 1.97 -0.19 0.00 0.00 -0.41 -1.50 107.32 106.64 1m44 s GLY 79 Ca 0.08 -1.51 -0.07 0.00 0.00 0.00 0.00 44.72 43.21 1m44 s GLY 79 CO 0.01 0.88 0.06 -0.47 0.00 0.00 0.00 173.10 173.59 1m44 s TYR 80 N 1.77 3.21 0.14 1.90 5.04 0.80 -1.54 117.35 128.67 1m44 s TYR 80 Ca 0.07 -0.01 -0.25 0.00 -2.44 0.00 0.00 57.07 54.44 1m44 s TYR 80 Cb -0.18 -2.10 -0.08 0.00 0.35 0.00 0.00 41.96 39.95 1m44 s TYR 80 CO 0.11 0.07 0.77 0.08 -1.34 0.00 0.00 175.55 175.24 1m44 s VAL 81 N 0.58 4.43 -0.01 3.14 1.01 -0.09 -0.96 120.40 128.51 1m44 s VAL 81 Ca 0.03 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 1m44 s VAL 81 Cb -0.13 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1m44 s VAL 81 CO 0.01 0.50 0.08 -1.61 0.00 0.00 0.00 175.10 174.08 1m44 s GLU 82 N -0.95 0.31 -0.97 2.72 0.41 -0.18 -4.65 118.70 115.39 1m44 s GLU 82 Ca 0.36 -0.26 -0.03 0.00 -0.41 0.00 0.00 54.97 54.63 1m44 s GLU 82 Cb -0.23 0.13 0.00 0.00 -1.78 0.00 0.00 34.13 32.25 1m44 s GLU 82 CO 0.26 -0.06 0.39 0.41 -0.49 0.00 0.00 175.26 175.76 1m44 n GLY 83 N 2.04 -0.07 3.68 -1.39 0.00 -1.26 -1.13 105.19 107.06 1m44 n GLY 83 Ca -0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.94 3.63 -0.13 1.61 1.01 -1.26 -4.27 120.40 118.05 1m44 s VAL 84 Ca 0.19 0.99 -0.22 0.00 0.00 0.00 0.00 61.98 62.94 1m44 s VAL 84 Cb -0.09 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1m44 s VAL 84 CO 0.24 -0.02 0.56 0.00 0.00 0.00 0.00 175.10 175.88 1m44 s ALA 85 N 2.69 -1.41 -0.06 5.51 0.00 -0.17 -4.87 121.76 123.45 1m44 s ALA 85 Ca 0.66 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.96 1m44 s ALA 85 Cb -0.32 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1m44 s ALA 85 CO 0.27 -0.30 -0.11 0.08 0.00 0.00 0.00 175.76 175.70 1m44 s VAL 86 N -0.41 1.05 0.46 0.00 1.01 -1.26 -0.78 120.40 120.47 1m44 s VAL 86 Ca -0.05 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1m44 s VAL 86 Cb -0.03 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 1m44 s VAL 86 CO 0.04 0.33 1.21 -1.14 0.00 0.00 0.00 175.10 175.54 1m44 n ARG 87 N 3.74 1.68 -0.16 2.72 0.63 0.22 -4.79 116.66 120.71 1m44 n ARG 87 Ca -0.22 0.61 0.14 0.00 -0.92 0.00 0.00 57.85 57.46 1m44 n ARG 87 Cb 0.52 -2.34 0.49 0.00 0.45 0.00 0.00 32.46 31.58 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 1.71 2.07 0.00 5.13 0.00 -1.92 0.10 119.26 126.35 1m44 h ALA 88 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1m44 h ALA 88 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1m44 h ALA 88 CO 0.58 -0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 1m44 n ASP 89 N -4.48 0.00 -0.20 0.00 5.75 -1.26 -3.36 116.55 112.99 1m44 n ASP 89 Ca 0.14 -0.27 0.02 0.00 -0.01 0.00 0.00 54.79 54.67 1m44 n ASP 89 Cb 0.49 -0.22 0.05 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.22 0.15 -1.82 2.11 7.02 0.35 -5.04 117.44 118.99 1m44 n TRP 90 Ca 0.14 -0.53 -0.32 0.00 -1.02 0.00 0.00 57.50 55.77 1m44 n TRP 90 Cb 0.18 -0.05 0.03 0.00 -2.42 0.00 0.00 31.31 29.05 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 -1.12 3.04 0.00 -0.99 0.52 -1.18 -3.81 118.95 115.41 1m44 s ARG 91 Ca 0.09 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1m44 s ARG 91 Cb 0.05 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1m44 s ARG 91 CO 0.05 -1.03 0.00 0.41 0.02 0.00 0.00 175.30 174.74 1m44 n GLY 92 N -1.14 0.61 0.64 -3.53 0.00 -1.26 -4.92 105.19 95.59 1m44 n GLY 92 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.76 1.74 -2.03 1.61 6.02 -1.25 -4.97 117.38 115.74 1m44 n GLN 93 Ca 0.00 -3.02 -0.19 0.00 -0.01 0.00 0.00 57.00 53.77 1m44 n GLN 93 Cb 0.00 -1.67 -0.04 0.00 1.02 0.00 0.00 30.24 29.55 1m44 n GLN 93 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1m44 n ARG 94 N -1.13 -1.47 0.06 -1.09 1.74 -1.26 -4.88 116.66 108.64 1m44 n ARG 94 Ca 0.22 1.05 -0.07 0.00 -0.77 0.00 0.00 57.85 58.27 1m44 n ARG 94 Cb 0.79 -5.52 0.07 0.00 -1.02 0.00 0.00 32.46 26.79 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 0.38 -0.88 0.55 3.38 -1.93 -2.99 115.31 113.81 1m44 h LEU 95 Ca -0.43 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.33 1m44 h LEU 95 Cb 1.31 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1m44 h LEU 95 CO 0.56 0.93 0.57 0.58 0.09 0.00 0.00 178.44 181.17 1m44 h VAL 96 N 0.23 1.16 -0.88 1.22 2.07 -1.95 -0.00 116.25 118.09 1m44 h VAL 96 Ca -0.02 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1m44 h VAL 96 Cb 1.20 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1m44 h VAL 96 CO 0.11 0.21 0.58 -1.28 0.02 0.00 0.00 177.57 177.20 1m44 h SER 97 N 1.12 1.00 -0.75 0.57 0.87 -1.93 0.84 113.55 115.28 1m44 h SER 97 Ca 0.35 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1m44 h SER 97 Cb -0.02 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 1m44 h SER 97 CO -0.11 0.71 0.28 0.00 -0.53 0.00 0.00 176.83 177.19 1m44 h ALA 98 N 1.33 1.07 -0.29 6.23 0.00 -1.21 0.51 119.26 126.90 1m44 h ALA 98 Ca 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1m44 h ALA 98 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1m44 h ALA 98 CO -0.08 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.82 1m44 h LEU 99 N 1.10 0.44 -1.07 0.00 3.38 -0.24 -2.82 115.31 116.10 1m44 h LEU 99 Ca 0.25 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1m44 h LEU 99 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1m44 h LEU 99 CO -0.02 0.56 -0.27 -0.07 0.09 0.00 0.00 178.44 178.73 1m44 h LEU 100 N 0.31 0.33 -0.91 1.67 3.38 -0.62 -1.34 115.31 118.13 1m44 h LEU 100 Ca 0.09 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1m44 h LEU 100 Cb 0.29 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1m44 h LEU 100 CO 0.00 0.60 0.56 0.44 0.09 0.00 0.00 178.44 180.13 1m44 h ASP 101 N 0.29 0.86 -0.10 -0.43 3.32 -0.76 -0.17 116.42 119.43 1m44 h ASP 101 Ca 0.04 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1m44 h ASP 101 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1m44 h ASP 101 CO 0.05 0.52 -0.26 0.00 -1.72 0.00 0.00 179.24 177.82 1m44 h ALA 102 N 1.45 0.17 0.00 3.45 0.00 -1.13 -2.18 119.26 121.03 1m44 h ALA 102 Ca 0.42 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1m44 h ALA 102 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1m44 h ALA 102 CO -0.21 0.17 -0.60 -0.39 0.00 0.00 0.00 179.25 178.22 1m44 h VAL 103 N -0.08 1.38 -0.39 0.00 -1.51 -1.09 -2.43 116.25 112.13 1m44 h VAL 103 Ca -0.00 -2.11 -0.08 0.00 -1.23 0.00 0.00 66.70 63.28 1m44 h VAL 103 Cb 0.87 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 32.17 1m44 h VAL 103 CO 0.06 0.59 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.59 1m44 h GLU 104 N 0.00 0.67 -0.85 5.19 5.08 -1.03 -1.36 114.58 122.28 1m44 h GLU 104 Ca -0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1m44 h GLU 104 Cb 1.10 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1m44 h GLU 104 CO 0.08 0.74 0.53 0.37 -1.00 0.00 0.00 179.01 179.73 1m44 h GLN 105 N 0.62 1.14 -0.54 2.33 4.15 -1.00 -1.08 115.11 120.72 1m44 h GLN 105 Ca 0.12 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 1m44 h GLN 105 Cb 0.50 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1m44 h GLN 105 CO 0.03 0.78 0.01 0.28 -1.93 0.00 0.00 178.83 178.00 1m44 h VAL 106 N 1.17 1.26 -0.39 2.39 2.07 -0.94 -1.46 116.25 120.35 1m44 h VAL 106 Ca 0.31 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1m44 h VAL 106 Cb -0.09 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1m44 h VAL 106 CO -0.06 0.39 0.23 0.24 0.02 0.00 0.00 177.57 178.38 1m44 h MET 107 N 0.83 0.45 -0.27 1.57 2.86 -0.74 -0.50 114.93 119.13 1m44 h MET 107 Ca 0.16 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1m44 h MET 107 Cb 0.51 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1m44 h MET 107 CO 0.02 0.30 -0.05 0.00 1.06 0.00 0.00 176.91 178.24 1m44 h ARG 108 N 0.46 0.42 0.00 1.72 3.08 -0.91 -1.18 114.38 117.97 1m44 h ARG 108 Ca 0.15 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1m44 h ARG 108 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1m44 h ARG 108 CO -0.07 0.49 -0.44 0.41 -1.07 0.00 0.00 179.97 179.29 1m44 n GLY 109 N -0.87 -1.33 0.00 0.04 0.00 -0.58 -4.62 105.19 97.83 1m44 n GLY 109 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1m44 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m44 n ALA 110 N -1.57 0.16 -2.46 4.61 0.00 -0.25 -5.08 120.51 115.92 1m44 n ALA 110 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1m44 n ALA 110 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.10 1.99 -0.18 0.00 2.02 -0.47 -5.01 117.35 115.60 1m44 s TYR 111 Ca 0.00 -0.94 0.19 0.00 -0.37 0.00 0.00 57.07 55.95 1m44 s TYR 111 Cb 0.00 -1.30 -0.07 0.00 -0.40 0.00 0.00 41.96 40.19 1m44 s TYR 111 CO 0.00 0.03 0.94 1.96 -1.57 0.00 0.00 175.55 176.91 1m44 h GLN 112 N 2.10 0.00 -2.07 -0.62 4.20 -0.99 -3.44 115.11 114.29 1m44 h GLN 112 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1m44 h GLN 112 Cb 1.24 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.84 1m44 h GLN 112 CO 0.70 0.16 0.32 -0.48 -0.67 0.00 0.00 178.83 178.86 1m44 s LEU 113 N -5.61 -0.53 0.30 1.46 2.34 -1.16 -0.57 118.68 114.90 1m44 s LEU 113 Ca -0.02 0.44 -0.02 0.00 0.06 0.00 0.00 54.13 54.59 1m44 s LEU 113 Cb 0.09 2.31 -0.04 0.00 -0.56 0.00 0.00 46.19 47.99 1m44 s LEU 113 CO 0.80 -0.60 0.53 -0.83 -1.06 0.00 0.00 176.35 175.19 1m44 s GLY 114 N -1.56 1.67 0.09 -3.48 0.00 -0.07 -1.29 107.32 102.68 1m44 s GLY 114 Ca -0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 1m44 s GLY 114 CO 0.02 -0.63 0.36 0.00 0.00 0.00 0.00 173.10 172.85 1m44 s ALA 115 N -2.14 -0.82 0.11 3.20 0.00 -0.59 -0.66 121.76 120.87 1m44 s ALA 115 Ca 0.42 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 1m44 s ALA 115 Cb -0.10 0.55 0.07 0.00 0.00 0.00 0.00 23.12 23.64 1m44 s ALA 115 CO 0.32 -0.56 0.91 -0.48 0.00 0.00 0.00 175.76 175.95 1m44 s LEU 116 N -2.57 -0.25 -0.13 0.00 0.05 -0.79 -0.91 118.68 114.08 1m44 s LEU 116 Ca 0.01 -0.28 0.01 0.00 0.05 0.00 0.00 54.13 53.92 1m44 s LEU 116 Cb 0.01 2.16 -0.01 0.00 -2.05 0.00 0.00 46.19 46.31 1m44 s LEU 116 CO -0.09 -0.84 -0.16 -0.94 -0.55 0.00 0.00 176.35 173.77 1m44 s SER 117 N -2.80 3.71 -0.00 1.48 1.04 -1.26 -1.32 113.70 114.55 1m44 s SER 117 Ca 0.10 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1m44 s SER 117 Cb -0.01 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 1m44 s SER 117 CO -0.02 0.15 0.09 -0.55 0.98 0.00 0.00 173.24 173.89 1m44 s SER 118 N 0.45 5.74 0.56 7.02 0.15 0.16 -5.00 113.70 122.78 1m44 s SER 118 Ca -0.12 0.16 -0.19 0.00 0.70 0.00 0.00 55.95 56.50 1m44 s SER 118 Cb -0.16 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 1m44 s SER 118 CO 0.05 0.27 1.18 -0.94 1.20 0.00 0.00 173.24 175.00 1m44 s SER 119 N -1.78 5.45 0.52 5.45 1.04 -1.26 -4.75 113.70 118.37 1m44 s SER 119 Ca 0.24 2.33 0.22 0.00 0.48 0.00 0.00 55.95 59.22 1m44 s SER 119 Cb -0.12 -2.59 1.42 0.00 0.10 0.00 0.00 66.02 64.82 1m44 s SER 119 CO 0.15 -1.41 2.13 0.00 0.98 0.00 0.00 173.24 175.08 1m44 h ALA 120 N 1.11 1.62 0.36 5.32 0.00 -1.98 -2.31 119.26 123.38 1m44 h ALA 120 Ca -0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1m44 h ALA 120 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1m44 h ALA 120 CO 0.56 0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.73 1m44 h ARG 121 N 0.00 -0.46 0.00 0.00 3.08 -2.03 -3.22 114.38 111.75 1m44 h ARG 121 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1m44 h ARG 121 Cb 0.16 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1m44 h ARG 121 CO 0.01 -0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.70 1m44 n ALA 122 N -2.40 1.67 -0.21 0.04 0.00 -0.89 -3.87 120.51 114.86 1m44 n ALA 122 Ca -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1m44 n ALA 122 Cb 0.25 -1.21 0.12 0.00 0.00 0.00 0.00 19.45 18.61 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 0.31 -0.91 0.00 3.08 -1.52 -1.78 114.38 113.56 1m44 h ARG 123 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1m44 h ARG 123 Cb 0.18 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1m44 h ARG 123 CO 0.00 0.21 0.59 -0.09 -1.07 0.00 0.00 179.97 179.60 1m44 h ARG 124 N 0.32 1.10 0.24 0.04 2.43 -1.83 -0.41 114.38 116.27 1m44 h ARG 124 Ca 0.33 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1m44 h ARG 124 Cb 0.48 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1m44 h ARG 124 CO -0.39 0.73 -0.19 1.25 -1.51 0.00 0.00 179.97 179.87 1m44 h LEU 125 N 1.13 -0.48 -0.51 3.80 5.85 -1.61 0.02 115.31 123.51 1m44 h LEU 125 Ca 0.37 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1m44 h LEU 125 Cb 0.02 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1m44 h LEU 125 CO -0.13 -0.29 0.19 1.88 -0.34 0.00 0.00 178.44 179.76 1m44 h TYR 126 N -0.43 0.79 -0.67 1.25 0.05 -1.21 -2.23 116.97 114.52 1m44 h TYR 126 Ca -0.01 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1m44 h TYR 126 Cb 0.38 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1m44 h TYR 126 CO -0.12 0.67 0.40 0.00 -1.05 0.00 0.00 178.16 178.06 1m44 h ALA 127 N 1.04 1.45 0.00 3.88 0.00 -0.97 -1.57 119.26 123.09 1m44 h ALA 127 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1m44 h ALA 127 Cb 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1m44 h ALA 127 CO -0.01 0.48 -0.04 0.66 0.00 0.00 0.00 179.25 180.34 1m44 h SER 128 N 0.92 0.00 -0.11 0.00 4.64 -0.40 -1.46 113.55 117.14 1m44 h SER 128 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1m44 h SER 128 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1m44 h SER 128 CO -0.05 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1m44 n ARG 129 N -3.24 1.90 0.00 4.77 1.74 -0.66 -4.94 116.66 116.24 1m44 n ARG 129 Ca -0.01 -1.33 0.00 0.00 -0.77 0.00 0.00 57.85 55.74 1m44 n ARG 129 Cb 0.22 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.23 0.41 3.77 -0.13 0.00 -0.55 -5.07 105.19 104.86 1m44 n GLY 130 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 3.05 -0.12 1.61 0.52 -0.81 -4.92 118.94 116.27 1m44 s TRP 131 Ca 0.00 1.56 -0.04 0.00 0.02 0.00 0.00 56.10 57.63 1m44 s TRP 131 Cb 0.00 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 1m44 s TRP 131 CO 0.00 -1.29 0.04 -0.51 0.02 0.00 0.00 176.95 175.21 1m44 s LEU 132 N -2.60 3.75 0.16 2.99 1.43 -0.06 -4.21 118.68 120.14 1m44 s LEU 132 Ca 0.58 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.54 1m44 s LEU 132 Cb -0.29 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 1m44 s LEU 132 CO 0.37 0.31 1.10 -2.16 0.23 0.00 0.00 176.35 176.20 1m44 s PRO 133 N -0.45 4.58 0.09 1.29 0.04 -1.26 -0.88 135.00 138.40 1m44 s PRO 133 Ca 0.09 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1m44 s PRO 133 Cb -0.12 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1m44 s PRO 133 CO 0.02 0.04 1.02 -0.46 0.04 0.00 0.00 177.00 177.66 1m44 s TRP 134 N -0.06 3.69 -0.05 0.56 -0.11 0.31 -4.93 118.94 118.35 1m44 s TRP 134 Ca 0.50 1.68 0.15 0.00 1.22 0.00 0.00 56.10 59.66 1m44 s TRP 134 Cb -0.29 -3.15 -0.23 0.00 -1.50 0.00 0.00 33.47 28.30 1m44 s TRP 134 CO 0.34 -0.15 0.27 0.72 -4.62 0.00 0.00 176.95 173.51 1m44 n HIS 135 N 3.14 0.00 -1.96 5.86 8.25 0.22 -4.25 115.22 126.48 1m44 n HIS 135 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1m44 n HIS 135 Cb 0.49 -0.45 0.20 0.00 1.12 0.00 0.00 29.99 31.35 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 -4.05 1.82 0.21 -1.41 0.00 0.16 -4.90 107.32 99.14 1m44 s GLY 136 Ca -0.06 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 1m44 s GLY 136 CO 0.64 -0.51 1.32 2.56 0.00 0.00 0.00 173.10 177.11 1m44 s PRO 137 N -5.93 4.38 0.27 2.90 0.04 -1.25 -4.84 135.00 130.56 1m44 s PRO 137 Ca 0.76 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.88 1m44 s PRO 137 Cb -0.02 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1m44 s PRO 137 CO 0.54 -0.26 0.47 0.95 0.04 0.00 0.00 177.00 178.73 1m44 s THR 138 N 0.02 5.14 0.29 1.26 -4.23 -1.26 -1.76 115.64 115.10 1m44 s THR 138 Ca 0.56 -0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.53 1m44 s THR 138 Cb -0.37 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.71 1m44 s THR 138 CO 0.39 -0.33 0.69 -0.94 -0.54 0.00 0.00 174.62 173.90 1m44 s SER 139 N -3.48 -0.20 0.02 3.99 1.04 -0.60 -1.28 113.70 113.19 1m44 s SER 139 Ca 0.40 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1m44 s SER 139 Cb -0.10 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1m44 s SER 139 CO 0.31 -1.35 -0.13 0.54 0.98 0.00 0.00 173.24 173.59 1m44 s VAL 140 N -3.78 1.06 -1.05 5.02 0.11 -0.20 -0.96 120.40 120.59 1m44 s VAL 140 Ca 0.13 -0.83 -0.18 0.00 -2.93 0.00 0.00 61.98 58.18 1m44 s VAL 140 Cb -0.05 -0.94 0.13 0.00 -1.53 0.00 0.00 36.38 33.99 1m44 s VAL 140 CO 0.08 0.10 1.30 -0.22 -3.33 0.00 0.00 175.10 173.03 1m44 s LEU 141 N -0.83 4.81 0.93 2.54 2.96 0.11 -0.81 118.68 128.38 1m44 s LEU 141 Ca 0.03 -2.32 -0.14 0.00 -0.22 0.00 0.00 54.13 51.48 1m44 s LEU 141 Cb -0.07 -2.43 0.16 0.00 0.50 0.00 0.00 46.19 44.35 1m44 s LEU 141 CO 0.01 -1.02 1.19 0.00 -1.32 0.00 0.00 176.35 175.22 1m44 s ALA 142 N 2.68 1.99 0.49 5.97 0.00 -0.76 -3.73 121.76 128.39 1m44 s ALA 142 Ca 0.39 -0.79 0.36 0.00 0.00 0.00 0.00 51.96 51.92 1m44 s ALA 142 Cb -0.03 -2.93 1.89 0.00 0.00 0.00 0.00 23.12 22.05 1m44 s ALA 142 CO -0.05 -2.32 2.21 -1.35 0.00 0.00 0.00 175.76 174.24 1m44 h PRO 143 N -1.55 0.00 -0.01 0.00 0.11 -2.01 0.88 132.00 129.43 1m44 h PRO 143 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1m44 h PRO 143 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1m44 h PRO 143 CO 0.53 0.03 -0.15 0.25 -0.21 0.00 0.00 178.00 178.45 1m44 n THR 144 N -3.35 0.00 0.00 -1.15 -2.24 -1.26 -5.06 114.28 101.22 1m44 n THR 144 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1m44 n THR 144 Cb 0.16 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.27 -0.43 3.71 3.38 0.00 0.30 -5.05 105.19 108.39 1m44 n GLY 145 Ca 0.15 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.51 2.37 -4.15 1.61 -0.02 -1.26 -1.83 135.00 131.21 1m44 n PRO 146 Ca 0.00 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 62.09 1m44 n PRO 146 Cb 0.00 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 30.76 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 -0.11 0.74 0.47 -1.45 1.01 0.01 -4.88 120.40 116.19 1m44 s VAL 147 Ca 0.65 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1m44 s VAL 147 Cb -0.57 -0.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 1m44 s VAL 147 CO 0.50 0.29 1.17 -0.13 0.00 0.00 0.00 175.10 176.93 1m44 s ARG 148 N 1.17 3.69 -0.56 2.72 1.81 -1.26 -1.04 118.95 125.49 1m44 s ARG 148 Ca -0.06 1.79 0.07 0.00 -1.72 0.00 0.00 55.73 55.80 1m44 s ARG 148 Cb -0.14 -2.37 0.30 0.00 -0.45 0.00 0.00 34.95 32.29 1m44 s ARG 148 CO -0.01 -0.61 0.80 0.25 -0.68 0.00 0.00 175.30 175.04 1m44 n THR 149 N -0.58 1.99 0.10 0.02 -2.24 -0.40 -4.85 114.28 108.31 1m44 n THR 149 Ca 0.08 -5.15 0.17 0.00 -2.27 0.00 0.00 64.05 56.88 1m44 n THR 149 Cb 0.48 -1.61 0.71 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.00 0.00 -0.78 0.13 -1.94 -0.15 132.00 132.83 1m44 h PRO 150 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1m44 h PRO 150 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1m44 h PRO 150 CO 0.75 0.00 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.02 1m44 h ASP 151 N 0.00 0.00 0.39 1.44 3.32 -1.96 -1.28 116.42 118.33 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 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1m44 h ASP 151 CO -0.00 0.06 -0.31 0.47 -1.72 0.00 0.00 179.24 177.74 1m44 n ASP 152 N -3.75 0.71 -4.77 6.45 8.00 -0.07 -4.86 116.55 118.27 1m44 n ASP 152 Ca -0.02 -0.55 -0.40 0.00 0.71 0.00 0.00 54.79 54.53 1m44 n ASP 152 Cb 0.15 0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.70 6.12 0.00 -2.24 1.01 -0.48 -1.88 116.67 116.50 1m44 s ASP 153 Ca 0.20 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.26 1m44 s ASP 153 Cb 0.19 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1m44 s ASP 153 CO 0.58 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1m44 n GLY 154 N 0.62 1.71 0.00 0.21 0.00 -1.26 -4.81 105.19 101.66 1m44 n GLY 154 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.00 -3.27 2.61 -2.24 -0.79 -4.95 114.28 103.65 1m44 n THR 155 Ca 0.00 -0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1m44 n THR 155 Cb 0.00 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.47 4.96 0.11 2.28 1.01 -1.24 0.36 120.40 125.41 1m44 s VAL 156 Ca 0.00 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.21 1m44 s VAL 156 Cb 0.09 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1m44 s VAL 156 CO 0.50 0.43 -0.22 -0.36 0.00 0.00 0.00 175.10 175.45 1m44 s PHE 157 N -0.21 1.92 0.10 5.22 0.40 -0.43 -0.53 117.98 124.45 1m44 s PHE 157 Ca 0.29 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 1m44 s PHE 157 Cb -0.18 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1m44 s PHE 157 CO 0.16 0.23 -0.17 0.14 0.70 0.00 0.00 175.22 176.28 1m44 s VAL 158 N -1.12 1.43 -0.50 -0.44 -7.23 -0.06 -1.88 120.40 110.60 1m44 s VAL 158 Ca 0.08 -1.51 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1m44 s VAL 158 Cb -0.10 -1.39 0.15 0.00 0.56 0.00 0.00 36.38 35.61 1m44 s VAL 158 CO 0.05 -0.20 0.33 -0.22 -0.31 0.00 0.00 175.10 174.75 1m44 s LEU 159 N -1.98 2.87 0.42 1.32 2.96 0.17 -0.88 118.68 123.56 1m44 s LEU 159 Ca 0.04 -3.05 -0.26 0.00 -0.22 0.00 0.00 54.13 50.64 1m44 s LEU 159 Cb -0.09 -1.02 -0.09 0.00 0.50 0.00 0.00 46.19 45.50 1m44 s LEU 159 CO 0.03 -0.19 1.37 -2.16 -1.32 0.00 0.00 176.35 174.08 1m44 s PRO 160 N -0.18 3.84 -0.53 0.98 0.04 -1.26 -0.89 135.00 137.00 1m44 s PRO 160 Ca 0.24 2.30 -0.08 0.00 0.04 0.00 0.00 61.00 63.49 1m44 s PRO 160 Cb -0.12 -2.72 0.14 0.00 0.04 0.00 0.00 34.50 31.84 1m44 s PRO 160 CO -0.09 -0.65 0.40 0.42 0.04 0.00 0.00 177.00 177.12 1m44 s ILE 161 N -1.23 4.24 -1.47 0.56 -1.09 0.26 -4.65 121.20 117.82 1m44 s ILE 161 Ca 0.59 -2.07 -0.11 0.00 -2.23 0.00 0.00 60.65 56.82 1m44 s ILE 161 Cb -0.41 -3.77 0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1m44 s ILE 161 CO 0.53 -0.82 0.78 0.47 -1.23 0.00 0.00 174.94 174.67 1m44 n ASP 162 N 4.56 -4.64 -4.19 3.58 8.00 -1.26 -4.82 116.55 117.77 1m44 n ASP 162 Ca -0.03 -0.60 -0.11 0.00 0.71 0.00 0.00 54.79 54.76 1m44 n ASP 162 Cb 0.41 -3.75 -0.10 0.00 -0.02 0.00 0.00 41.12 37.66 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 -3.17 0.67 0.06 0.53 -4.36 -1.26 -5.15 121.20 108.53 1m44 s ILE 163 Ca 0.54 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.97 1m44 s ILE 163 Cb -0.27 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1m44 s ILE 163 CO 0.67 -0.75 0.24 -0.94 0.24 0.00 0.00 174.94 174.40 1m44 s SER 164 N -3.08 6.39 -0.11 4.36 1.04 -1.26 -4.88 113.70 116.16 1m44 s SER 164 Ca 0.16 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 1m44 s SER 164 Cb 0.06 -1.99 0.05 0.00 0.10 0.00 0.00 66.02 64.24 1m44 s SER 164 CO -0.02 0.16 0.13 -0.76 0.98 0.00 0.00 173.24 173.73 1m44 s LEU 165 N -2.44 0.05 -0.70 2.42 1.43 -1.26 -5.08 118.68 113.10 1m44 s LEU 165 Ca 0.35 0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 53.18 1m44 s LEU 165 Cb -0.13 0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.21 1m44 s LEU 165 CO 0.26 -0.28 1.34 -0.62 0.23 0.00 0.00 176.35 177.28 1m44 s ASP 166 N 2.24 6.10 0.00 2.29 -1.08 -1.26 -4.85 116.67 120.11 1m44 s ASP 166 Ca 0.04 -0.27 0.10 0.00 -0.52 0.00 0.00 52.55 51.90 1m44 s ASP 166 Cb -0.13 -2.56 0.60 0.00 -1.46 0.00 0.00 42.92 39.37 1m44 s ASP 166 CO -0.07 -1.85 1.02 0.35 0.52 0.00 0.00 175.17 175.14 1m44 n THR 167 N 6.52 0.00 1.07 1.71 -2.24 -1.26 -1.72 114.28 118.36 1m44 n THR 167 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1m44 n THR 167 Cb 0.49 -0.72 0.10 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.91 1.72 -4.86 3.42 3.41 -1.26 -0.61 113.62 114.53 1m44 n SER 168 Ca 0.08 -1.33 -0.29 0.00 -0.26 0.00 0.00 58.87 57.07 1m44 n SER 168 Cb 0.03 0.40 0.10 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.51 2.35 0.51 7.33 0.00 -0.70 -4.03 121.76 124.71 1m44 s ALA 169 Ca 0.20 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.39 1m44 s ALA 169 Cb 0.18 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 1m44 s ALA 169 CO 0.57 -1.86 1.09 -2.00 0.00 0.00 0.00 175.76 173.56 1m44 s GLU 170 N -5.44 3.59 -0.10 0.00 2.12 -1.26 -3.89 118.70 113.72 1m44 s GLU 170 Ca 0.62 1.51 -0.01 0.00 0.36 0.00 0.00 54.97 57.45 1m44 s GLU 170 Cb -0.12 -2.08 0.03 0.00 0.26 0.00 0.00 34.13 32.21 1m44 s GLU 170 CO 0.51 -0.63 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.38 1m44 s LEU 171 N -3.59 0.97 -0.25 2.70 2.96 -0.72 -4.50 118.68 116.25 1m44 s LEU 171 Ca 0.70 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1m44 s LEU 171 Cb -0.21 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1m44 s LEU 171 CO 0.24 -0.15 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.74 1m44 s MET 172 N 1.81 2.85 0.66 1.98 -2.45 -0.63 -1.56 119.30 121.96 1m44 s MET 172 Ca 0.05 -0.96 -0.08 0.00 -1.25 0.00 0.00 55.69 53.45 1m44 s MET 172 Cb -0.13 -2.98 0.03 0.00 1.25 0.00 0.00 34.83 33.01 1m44 s MET 172 CO -0.07 -0.39 0.99 0.00 1.05 0.00 0.00 175.02 176.60 1m44 s ASP 174 N -4.40 5.53 0.37 0.00 1.47 -1.10 -0.71 116.67 117.83 1m44 s ASP 174 Ca 0.57 0.68 -0.22 0.00 1.18 0.00 0.00 52.55 54.76 1m44 s ASP 174 Cb -0.11 -1.65 -0.10 0.00 -0.34 0.00 0.00 42.92 40.72 1m44 s ASP 174 CO 0.47 -1.10 0.92 0.86 0.68 0.00 0.00 175.17 176.99 1m44 s TRP 175 N -3.00 3.48 0.13 2.11 -0.11 -1.24 -4.74 118.94 115.57 1m44 s TRP 175 Ca 0.54 1.63 -0.25 0.00 1.22 0.00 0.00 56.10 59.25 1m44 s TRP 175 Cb -0.11 -2.84 0.07 0.00 -1.50 0.00 0.00 33.47 29.09 1m44 s TRP 175 CO 0.45 0.06 0.79 -0.98 -4.62 0.00 0.00 176.95 172.65 1m44 s ARG 176 N -2.66 1.22 0.75 5.86 1.70 -1.26 -5.11 118.95 119.45 1m44 s ARG 176 Ca 0.56 -0.56 -0.13 0.00 -0.47 0.00 0.00 55.73 55.13 1m44 s ARG 176 Cb -0.13 0.49 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1m44 s ARG 176 CO 0.18 -0.55 1.13 0.00 -1.08 0.00 0.00 175.30 174.98 1m44 s ALA 177 N -3.48 2.19 0.00 7.88 0.00 -1.26 -4.69 121.76 122.40 1m44 s ALA 177 Ca 0.07 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1m44 s ALA 177 Cb -0.02 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1m44 s ALA 177 CO -0.04 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.36 1m44 n GLY 178 N -0.49 1.40 3.67 0.00 0.00 -1.26 -4.64 105.19 103.87 1m44 n GLY 178 Ca 0.11 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 6.84 0.21 1.61 1.01 -1.26 -4.89 116.67 116.20 1m44 s ASP 179 Ca 0.00 1.99 0.11 0.00 0.71 0.00 0.00 52.55 55.36 1m44 s ASP 179 Cb 0.00 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1m44 s ASP 179 CO 0.00 -0.79 1.43 -0.37 0.21 0.00 0.00 175.17 175.65 1m44 h VAL 180 N 5.31 1.37 -0.03 -1.27 -1.51 -1.83 -3.48 116.25 114.81 1m44 h VAL 180 Ca -0.34 -2.69 0.00 0.00 -1.23 0.00 0.00 66.70 62.44 1m44 h VAL 180 Cb 1.15 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.83 1m44 h VAL 180 CO 0.94 0.73 0.00 0.79 -1.23 0.00 0.00 177.57 178.80