#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4g s HIS 2 N 0.00 0.67 -0.21 1.12 0.00 -1.26 -4.93 115.29 110.68 1m4g s HIS 2 Ca 0.00 0.34 0.25 0.00 -3.00 0.00 0.00 55.06 52.65 1m4g s HIS 2 Cb 0.00 -3.78 1.22 0.00 -4.00 0.00 0.00 32.58 26.02 1m4g s HIS 2 CO 0.00 -3.55 1.76 1.79 -1.00 0.00 0.00 174.74 173.75 1m4g h THR 3 N -2.31 0.00 -0.59 -5.38 1.35 -2.08 -3.46 112.91 100.44 1m4g h THR 3 Ca -0.43 -0.13 -0.22 0.00 -0.55 0.00 0.00 66.41 65.08 1m4g h THR 3 Cb 1.26 0.78 -0.08 0.00 -1.73 0.00 0.00 68.15 68.38 1m4g h THR 3 CO 0.31 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.38 1m4g n GLN 4 N -2.38 -0.75 -1.88 4.72 1.13 -1.26 -4.96 117.38 112.00 1m4g n GLN 4 Ca -0.00 0.85 -0.42 0.00 -1.94 0.00 0.00 57.00 55.49 1m4g n GLN 4 Cb 0.13 -4.81 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 1m4g n GLN 4 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1m4g s VAL 5 N -2.41 2.43 -1.41 5.09 0.11 -1.26 -1.73 120.40 121.22 1m4g s VAL 5 Ca 0.00 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1m4g s VAL 5 Cb 0.00 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 1m4g s VAL 5 CO 0.00 0.03 0.00 1.41 -3.33 0.00 0.00 175.10 173.21 1m4g n HIS 6 N 3.43 -0.06 -3.01 1.54 8.25 -1.26 -4.98 115.22 119.13 1m4g n HIS 6 Ca 0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.19 1m4g n HIS 6 Cb 0.38 -2.85 -0.05 0.00 1.12 0.00 0.00 29.99 28.58 1m4g n HIS 6 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1m4g s THR 7 N -2.10 4.62 0.30 1.59 2.01 -0.71 -4.92 115.64 116.44 1m4g s THR 7 Ca 0.00 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 1m4g s THR 7 Cb 0.00 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 1m4g s THR 7 CO 0.00 0.43 1.17 0.00 -0.69 0.00 0.00 174.62 175.53 1m4g s ALA 8 N -0.48 3.42 -0.10 7.40 0.00 -1.26 -4.78 121.76 125.97 1m4g s ALA 8 Ca 0.37 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.34 1m4g s ALA 8 Cb -0.21 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1m4g s ALA 8 CO 0.24 -0.34 -0.04 1.03 0.00 0.00 0.00 175.76 176.65 1m4g s ARG 9 N -1.62 3.14 -0.23 0.00 0.52 0.21 -4.82 118.95 116.15 1m4g s ARG 9 Ca 0.47 -0.49 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1m4g s ARG 9 Cb -0.35 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1m4g s ARG 9 CO 0.45 0.53 0.23 -0.51 0.02 0.00 0.00 175.30 176.02 1m4g s LEU 10 N -0.43 4.12 -0.04 2.53 1.43 -1.26 -0.65 118.68 124.38 1m4g s LEU 10 Ca 0.07 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1m4g s LEU 10 Cb -0.12 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1m4g s LEU 10 CO 0.02 0.02 -0.02 -0.69 0.23 0.00 0.00 176.35 175.91 1m4g s VAL 11 N 1.15 0.40 0.58 -1.59 1.01 -0.04 -4.93 120.40 116.97 1m4g s VAL 11 Ca 0.11 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1m4g s VAL 11 Cb -0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1m4g s VAL 11 CO 0.06 0.20 1.11 -2.28 0.00 0.00 0.00 175.10 174.19 1m4g s HIS 12 N 1.11 2.72 0.27 5.22 2.46 -1.26 -0.36 115.29 125.45 1m4g s HIS 12 Ca -0.08 1.55 -0.00 0.00 0.47 0.00 0.00 55.06 56.99 1m4g s HIS 12 Cb -0.14 -3.20 0.57 0.00 -0.13 0.00 0.00 32.58 29.68 1m4g s HIS 12 CO -0.01 -1.50 1.73 1.15 -2.47 0.00 0.00 174.74 173.64 1m4g h THR 13 N 0.77 0.62 0.00 0.89 2.02 -1.59 0.10 112.91 115.72 1m4g h THR 13 Ca -0.49 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1m4g h THR 13 Cb 1.25 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1m4g h THR 13 CO 0.56 0.09 -0.01 0.00 0.37 0.00 0.00 175.52 176.53 1m4g h ALA 14 N 1.61 1.09 -0.47 6.16 0.00 -1.91 -1.82 119.26 123.92 1m4g h ALA 14 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1m4g h ALA 14 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1m4g h ALA 14 CO -0.43 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.59 1m4g n ASP 15 N -3.23 2.95 -4.71 0.00 8.00 0.34 -4.91 116.55 114.99 1m4g n ASP 15 Ca -0.02 -1.95 -0.40 0.00 0.71 0.00 0.00 54.79 53.12 1m4g n ASP 15 Cb 0.14 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1m4g n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4g s LEU 16 N -1.20 4.29 0.79 0.64 1.43 -0.69 -4.94 118.68 119.00 1m4g s LEU 16 Ca 0.38 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 1m4g s LEU 16 Cb 0.20 -3.12 0.07 0.00 0.03 0.00 0.00 46.19 43.36 1m4g s LEU 16 CO 0.27 -0.18 1.16 1.51 0.23 0.00 0.00 176.35 179.35 1m4g s ASP 17 N 0.89 4.70 0.39 2.29 -4.77 -1.26 -4.80 116.67 114.12 1m4g s ASP 17 Ca 0.38 0.86 0.07 0.00 -3.30 0.00 0.00 52.55 50.56 1m4g s ASP 17 Cb -0.18 -1.42 0.81 0.00 -1.09 0.00 0.00 42.92 41.04 1m4g s ASP 17 CO 0.17 -1.79 2.00 0.77 0.70 0.00 0.00 175.17 177.03 1m4g h SER 18 N -0.97 0.43 -0.40 2.11 4.64 -1.98 -1.06 113.55 116.31 1m4g h SER 18 Ca -0.46 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 1m4g h SER 18 Cb 1.31 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1m4g h SER 18 CO 0.65 0.39 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.85 1m4g h GLU 19 N 0.48 0.75 -0.51 4.77 4.57 -1.99 -0.48 114.58 122.17 1m4g h GLU 19 Ca 0.12 -0.27 -0.12 0.00 -1.18 0.00 0.00 59.36 57.91 1m4g h GLU 19 Cb 0.09 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1m4g h GLU 19 CO -0.01 0.87 -0.15 1.15 -1.18 0.00 0.00 179.01 179.69 1m4g h THR 20 N 0.57 1.27 -0.78 0.32 2.02 -1.85 -0.73 112.91 113.74 1m4g h THR 20 Ca 0.11 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1m4g h THR 20 Cb 0.58 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1m4g h THR 20 CO 0.03 0.46 0.50 -0.09 0.37 0.00 0.00 175.52 176.79 1m4g h ARG 21 N 0.87 1.03 -0.50 6.66 2.43 -1.04 0.92 114.38 124.76 1m4g h ARG 21 Ca 0.13 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1m4g h ARG 21 Cb 0.72 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1m4g h ARG 21 CO 0.06 0.70 -0.18 1.96 -1.51 0.00 0.00 179.97 180.99 1m4g h GLN 22 N 1.06 1.01 -0.41 0.20 4.20 -0.88 -1.20 115.11 119.09 1m4g h GLN 22 Ca 0.28 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1m4g h GLN 22 Cb -0.10 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1m4g h GLN 22 CO -0.06 1.09 0.17 0.22 -0.67 0.00 0.00 178.83 179.58 1m4g h ASP 23 N 0.87 0.56 -0.07 1.46 3.58 -0.71 -0.57 116.42 121.54 1m4g h ASP 23 Ca 0.12 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1m4g h ASP 23 Cb 0.76 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1m4g h ASP 23 CO 0.06 0.57 0.04 0.40 -2.88 0.00 0.00 179.24 177.43 1m4g h ILE 24 N 0.51 1.09 -0.20 2.25 2.04 -0.63 -0.99 117.51 121.58 1m4g h ILE 24 Ca 0.14 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1m4g h ILE 24 Cb 0.18 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1m4g h ILE 24 CO -0.01 0.07 -0.01 -0.09 0.00 0.00 0.00 178.15 178.11 1m4g h ARG 25 N 0.02 0.05 -0.41 2.37 2.43 -1.07 0.13 114.38 117.91 1m4g h ARG 25 Ca 0.03 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1m4g h ARG 25 Cb 0.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1m4g h ARG 25 CO -0.00 0.03 -0.16 -0.56 -1.51 0.00 0.00 179.97 177.78 1m4g h GLN 26 N 0.05 0.75 -0.02 0.20 -0.00 -1.01 0.80 115.11 115.89 1m4g h GLN 26 Ca 0.09 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1m4g h GLN 26 Cb 0.12 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1m4g h GLN 26 CO -0.17 0.87 0.01 1.98 -0.00 0.00 0.00 178.83 181.52 1m4g h MET 27 N 0.67 0.04 -0.54 0.06 4.05 -0.76 -0.78 114.93 117.67 1m4g h MET 27 Ca 0.11 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1m4g h MET 27 Cb 0.64 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1m4g h MET 27 CO 0.04 0.24 0.23 0.28 0.23 0.00 0.00 176.91 177.93 1m4g h VAL 28 N -0.17 1.21 -0.39 -5.77 2.07 -0.66 0.20 116.25 112.74 1m4g h VAL 28 Ca 0.01 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1m4g h VAL 28 Cb 0.22 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1m4g h VAL 28 CO -0.00 0.25 0.21 0.74 0.02 0.00 0.00 177.57 178.79 1m4g h THR 29 N 0.73 1.00 -0.14 2.57 2.02 -0.75 -2.12 112.91 116.21 1m4g h THR 29 Ca 0.18 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1m4g h THR 29 Cb 0.18 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1m4g h THR 29 CO -0.02 0.08 -0.19 1.23 0.37 0.00 0.00 175.52 176.99 1m4g h GLY 30 N 0.43 0.26 2.00 2.16 0.00 -0.82 -1.77 103.07 105.32 1m4g h GLY 30 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1m4g h GLY 30 CO -0.10 0.16 -0.19 0.00 0.00 0.00 0.00 176.54 176.41 1m4g h ALA 31 N 1.59 1.26 -0.44 3.60 0.00 -0.30 -2.20 119.26 122.78 1m4g h ALA 31 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1m4g h ALA 31 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1m4g h ALA 31 CO 0.03 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.71 1m4g n PHE 32 N -3.70 1.48 -3.92 0.00 3.72 -1.01 -4.88 117.46 109.15 1m4g n PHE 32 Ca -0.01 -0.52 -0.28 0.00 -0.05 0.00 0.00 57.45 56.58 1m4g n PHE 32 Cb 0.31 -0.37 0.01 0.00 -0.94 0.00 0.00 39.48 38.49 1m4g n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1m4g n ALA 33 N 0.53 -1.55 -0.08 4.37 0.00 -0.83 -1.49 120.51 121.47 1m4g n ALA 33 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1m4g n ALA 33 Cb 0.91 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1m4g n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m4g n GLY 34 N -1.66 1.98 2.77 0.00 0.00 -0.70 -4.90 105.19 102.67 1m4g n GLY 34 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1m4g n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m4g n ASP 35 N 0.00 4.30 -3.33 1.61 2.03 -0.55 -4.71 116.55 115.91 1m4g n ASP 35 Ca 0.00 -2.93 -0.10 0.00 0.52 0.00 0.00 54.79 52.28 1m4g n ASP 35 Cb 0.00 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 38.73 1m4g n ASP 35 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1m4g s PHE 36 N 2.28 -0.89 0.92 -0.67 5.36 -1.26 -4.89 117.98 118.82 1m4g s PHE 36 Ca 0.45 0.29 -0.15 0.00 -0.96 0.00 0.00 56.93 56.56 1m4g s PHE 36 Cb 0.13 -0.19 0.17 0.00 -0.34 0.00 0.00 43.02 42.78 1m4g s PHE 36 CO -0.06 -0.95 1.28 0.95 -1.46 0.00 0.00 175.22 174.98 1m4g s THR 37 N 2.51 2.00 0.28 0.12 -4.23 -1.26 -4.86 115.64 110.21 1m4g s THR 37 Ca 0.10 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1m4g s THR 37 Cb -0.13 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1m4g s THR 37 CO -0.29 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 175.36 1m4g h GLU 38 N -1.47 1.04 -0.26 3.99 5.08 -2.00 -0.91 114.58 120.05 1m4g h GLU 38 Ca -0.45 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 57.61 1m4g h GLU 38 Cb 1.26 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1m4g h GLU 38 CO 0.46 0.77 -0.59 1.15 -1.00 0.00 0.00 179.01 179.79 1m4g h THR 39 N 1.05 1.28 -0.99 1.13 2.02 -1.96 -1.48 112.91 113.95 1m4g h THR 39 Ca 0.27 -1.77 0.07 0.00 0.77 0.00 0.00 66.41 65.74 1m4g h THR 39 Cb 0.03 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 1m4g h THR 39 CO -0.04 0.58 0.64 0.44 0.37 0.00 0.00 175.52 177.50 1m4g h ASP 40 N 0.64 1.01 -0.42 4.18 3.32 -1.78 -0.43 116.42 122.94 1m4g h ASP 40 Ca 0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1m4g h ASP 40 Cb 1.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1m4g h ASP 40 CO 0.13 0.64 0.08 -0.25 -1.72 0.00 0.00 179.24 178.11 1m4g h TRP 41 N 1.14 0.74 -0.60 4.55 2.91 -0.95 -2.69 115.95 121.05 1m4g h TRP 41 Ca 0.43 -0.10 0.06 0.00 1.13 0.00 0.00 58.89 60.42 1m4g h TRP 41 Cb 0.20 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 1m4g h TRP 41 CO -0.00 0.71 0.40 1.49 -1.03 0.00 0.00 178.44 180.00 1m4g h GLU 42 N 0.56 0.55 0.00 2.65 4.22 -0.59 0.59 114.58 122.54 1m4g h GLU 42 Ca 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1m4g h GLU 42 Cb 0.36 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1m4g h GLU 42 CO 0.01 0.36 0.00 0.72 -2.18 0.00 0.00 179.01 177.92 1m4g n HIS 43 N -4.48 0.66 1.17 0.92 8.25 -0.23 -1.78 115.22 119.74 1m4g n HIS 43 Ca 0.08 0.29 0.13 0.00 -0.26 0.00 0.00 57.72 57.96 1m4g n HIS 43 Cb 0.24 -0.97 0.34 0.00 1.12 0.00 0.00 29.99 30.73 1m4g n HIS 43 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1m4g n THR 44 N -2.13 0.00 -3.60 1.59 -2.24 0.20 -4.86 114.28 103.23 1m4g n THR 44 Ca 0.01 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 1m4g n THR 44 Cb 0.15 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1m4g n THR 44 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m4g s LEU 45 N -2.66 4.34 0.00 3.22 1.43 -0.73 -4.54 118.68 119.74 1m4g s LEU 45 Ca 0.20 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1m4g s LEU 45 Cb 0.19 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1m4g s LEU 45 CO 0.58 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.93 1m4g n GLY 46 N 0.84 0.92 0.00 -3.19 0.00 -1.26 -4.99 105.19 97.51 1m4g n GLY 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1m4g n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m4g n GLY 47 N -0.67 5.43 3.58 -0.02 0.00 -1.26 -4.82 105.19 107.44 1m4g n GLY 47 Ca 0.00 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 1m4g n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m4g s MET 48 N 4.11 3.88 -0.20 1.61 -1.94 -0.66 -1.47 119.30 124.62 1m4g s MET 48 Ca 0.00 -0.39 -0.13 0.00 -1.71 0.00 0.00 55.69 53.46 1m4g s MET 48 Cb 0.00 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 1m4g s MET 48 CO 0.00 0.18 0.28 -1.01 -0.01 0.00 0.00 175.02 174.46 1m4g s HIS 49 N 0.61 3.39 -0.22 -0.03 4.02 0.52 -0.40 115.29 123.18 1m4g s HIS 49 Ca 0.03 0.49 -0.16 0.00 1.02 0.00 0.00 55.06 56.43 1m4g s HIS 49 Cb -0.13 -2.37 -0.04 0.00 -1.02 0.00 0.00 32.58 29.02 1m4g s HIS 49 CO 0.02 0.11 0.42 0.00 1.02 0.00 0.00 174.74 176.31 1m4g s ALA 50 N 0.90 3.56 -0.03 -1.40 0.00 0.14 -0.86 121.76 124.06 1m4g s ALA 50 Ca 0.14 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1m4g s ALA 50 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1m4g s ALA 50 CO 0.05 -0.45 -0.24 -0.51 0.00 0.00 0.00 175.76 174.61 1m4g s LEU 51 N 1.64 2.04 -0.14 0.00 1.43 0.17 -1.92 118.68 121.91 1m4g s LEU 51 Ca 0.19 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1m4g s LEU 51 Cb -0.15 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 1m4g s LEU 51 CO 0.09 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.13 1m4g s ILE 52 N -0.39 2.54 0.03 -0.59 1.01 -0.65 -0.62 121.20 122.53 1m4g s ILE 52 Ca 0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 1m4g s ILE 52 Cb -0.11 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1m4g s ILE 52 CO 0.01 0.53 0.13 0.26 0.00 0.00 0.00 174.94 175.86 1m4g s TRP 53 N 0.67 3.36 -0.17 3.97 0.52 -1.26 -0.72 118.94 125.32 1m4g s TRP 53 Ca -0.08 0.22 -0.06 0.00 0.02 0.00 0.00 56.10 56.19 1m4g s TRP 53 Cb -0.16 -1.73 0.08 0.00 -1.15 0.00 0.00 33.47 30.51 1m4g s TRP 53 CO 0.02 0.57 0.35 -1.58 0.02 0.00 0.00 176.95 176.33 1m4g s HIS 54 N -1.32 -0.64 -1.55 -1.98 2.46 -0.40 -4.51 115.29 107.34 1m4g s HIS 54 Ca 0.27 1.29 -0.14 0.00 0.47 0.00 0.00 55.06 56.95 1m4g s HIS 54 Cb -0.12 0.16 0.09 0.00 -0.13 0.00 0.00 32.58 32.58 1m4g s HIS 54 CO 0.19 -0.43 0.97 0.72 -2.47 0.00 0.00 174.74 173.72 1m4g n HIS 55 N 5.37 -2.25 -0.97 3.88 8.25 -1.26 -1.37 115.22 126.87 1m4g n HIS 55 Ca -0.07 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1m4g n HIS 55 Cb 0.50 -3.88 0.00 0.00 1.12 0.00 0.00 29.99 27.72 1m4g n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m4g n GLY 56 N -1.67 0.71 3.58 -1.41 0.00 -1.26 -5.02 105.19 100.12 1m4g n GLY 56 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1m4g n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m4g s ALA 57 N -2.95 2.96 -0.36 4.61 0.00 -0.47 -5.08 121.76 120.46 1m4g s ALA 57 Ca 0.00 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 1m4g s ALA 57 Cb 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1m4g s ALA 57 CO 0.00 0.57 0.87 0.42 0.00 0.00 0.00 175.76 177.62 1m4g s ILE 58 N -1.42 4.64 -1.82 0.00 -1.09 -1.26 -1.28 121.20 118.98 1m4g s ILE 58 Ca 0.23 1.08 0.20 0.00 -2.23 0.00 0.00 60.65 59.93 1m4g s ILE 58 Cb -0.10 -4.28 -0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1m4g s ILE 58 CO 0.14 -0.49 0.99 2.30 -1.23 0.00 0.00 174.94 176.65 1m4g n ILE 59 N 5.90 0.00 -3.59 2.92 -5.35 0.10 -4.86 119.36 114.48 1m4g n ILE 59 Ca 0.06 -0.30 -0.16 0.00 -0.27 0.00 0.00 62.75 62.07 1m4g n ILE 59 Cb 0.48 1.24 -0.07 0.00 -1.74 0.00 0.00 39.64 39.55 1m4g n ILE 59 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1m4g s ALA 60 N -2.19 -1.56 -0.06 -1.28 0.00 -1.19 -0.85 121.76 114.62 1m4g s ALA 60 Ca 0.16 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1m4g s ALA 60 Cb 0.16 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1m4g s ALA 60 CO 0.48 -0.34 0.38 -1.58 0.00 0.00 0.00 175.76 174.70 1m4g s HIS 61 N -0.91 -0.31 -0.20 0.00 2.46 -0.04 -1.64 115.29 114.65 1m4g s HIS 61 Ca -0.09 0.61 -0.15 0.00 0.47 0.00 0.00 55.06 55.90 1m4g s HIS 61 Cb -0.02 0.15 0.06 0.00 -0.13 0.00 0.00 32.58 32.64 1m4g s HIS 61 CO 0.07 -0.36 0.52 0.00 -2.47 0.00 0.00 174.74 172.50 1m4g s ALA 62 N -0.83 -1.31 -0.02 1.58 0.00 -0.81 -1.08 121.76 119.29 1m4g s ALA 62 Ca -0.09 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1m4g s ALA 62 Cb -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1m4g s ALA 62 CO 0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 175.76 175.43 1m4g s ALA 63 N 0.85 2.91 -0.25 0.00 0.00 -0.14 0.25 121.76 125.38 1m4g s ALA 63 Ca -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1m4g s ALA 63 Cb -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1m4g s ALA 63 CO -0.07 0.59 -0.05 0.08 0.00 0.00 0.00 175.76 176.32 1m4g s VAL 64 N -0.90 3.00 0.18 0.00 1.01 0.47 -0.40 120.40 123.76 1m4g s VAL 64 Ca 0.15 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1m4g s VAL 64 Cb -0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1m4g s VAL 64 CO 0.05 0.20 -0.07 0.27 0.00 0.00 0.00 175.10 175.55 1m4g s ILE 65 N 1.35 3.35 -0.05 2.22 -5.25 -0.16 -1.66 121.20 121.00 1m4g s ILE 65 Ca 0.01 -1.59 -0.16 0.00 -0.99 0.00 0.00 60.65 57.92 1m4g s ILE 65 Cb -0.16 -2.67 -0.05 0.00 2.95 0.00 0.00 42.46 42.53 1m4g s ILE 65 CO -0.04 -0.11 0.42 -1.58 -1.79 0.00 0.00 174.94 171.84 1m4g s GLN 66 N -2.87 4.08 0.17 0.37 0.74 -1.26 -0.35 119.66 120.54 1m4g s GLN 66 Ca 0.26 0.40 -0.02 0.00 0.05 0.00 0.00 55.36 56.05 1m4g s GLN 66 Cb -0.09 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.72 1m4g s GLN 66 CO 0.16 0.49 0.25 2.89 -0.55 0.00 0.00 175.29 178.53 1m4g n ARG 67 N 2.53 0.36 -5.00 1.67 1.85 -0.48 -4.96 116.66 112.62 1m4g n ARG 67 Ca -0.12 -1.30 -0.32 0.00 -1.00 0.00 0.00 57.85 55.12 1m4g n ARG 67 Cb 0.52 1.29 -0.14 0.00 -1.05 0.00 0.00 32.46 33.08 1m4g n ARG 67 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1m4g s ARG 68 N -2.34 2.30 -0.08 2.89 1.81 -1.26 -0.92 118.95 121.35 1m4g s ARG 68 Ca 0.13 -0.82 0.05 0.00 -1.72 0.00 0.00 55.73 53.37 1m4g s ARG 68 Cb -0.01 -2.23 -0.00 0.00 -0.45 0.00 0.00 34.95 32.26 1m4g s ARG 68 CO 0.09 0.59 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.56 1m4g s LEU 69 N -0.79 2.05 -0.27 2.53 1.43 -0.92 -2.54 118.68 120.16 1m4g s LEU 69 Ca 0.11 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1m4g s LEU 69 Cb -0.10 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1m4g s LEU 69 CO 0.01 0.18 0.42 -0.63 0.23 0.00 0.00 176.35 176.56 1m4g s ILE 70 N 0.20 5.13 -0.11 -0.59 1.01 0.60 -0.49 121.20 126.96 1m4g s ILE 70 Ca -0.14 0.65 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 1m4g s ILE 70 Cb -0.16 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1m4g s ILE 70 CO 0.07 0.11 -0.08 -0.47 0.00 0.00 0.00 174.94 174.57 1m4g s TYR 71 N 2.16 1.52 -1.54 3.97 5.04 -0.23 -1.50 117.35 126.77 1m4g s TYR 71 Ca 0.17 -0.74 -0.10 0.00 -2.44 0.00 0.00 57.07 53.96 1m4g s TYR 71 Cb -0.16 -1.23 0.08 0.00 0.35 0.00 0.00 41.96 41.00 1m4g s TYR 71 CO 0.10 -0.50 0.69 0.54 -1.34 0.00 0.00 175.55 175.04 1m4g n ARG 72 N 4.81 -3.84 -0.44 4.97 1.74 -1.26 -0.66 116.66 121.98 1m4g n ARG 72 Ca -0.14 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1m4g n ARG 72 Cb 0.50 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.96 1m4g n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4g n GLY 73 N -1.68 1.74 3.78 -0.13 0.00 -1.26 -5.00 105.19 102.64 1m4g n GLY 73 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1m4g n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m4g s ASN 74 N -3.29 6.66 -0.73 1.61 -0.87 0.16 -5.04 114.94 113.43 1m4g s ASN 74 Ca 0.00 0.78 -0.18 0.00 -1.57 0.00 0.00 52.86 51.89 1m4g s ASN 74 Cb 0.00 -2.23 0.13 0.00 -0.02 0.00 0.00 41.25 39.13 1m4g s ASN 74 CO 0.00 0.19 0.85 0.00 -2.57 0.00 0.00 177.10 175.57 1m4g s ALA 75 N -0.26 3.51 0.22 0.60 0.00 -1.26 -1.06 121.76 123.50 1m4g s ALA 75 Ca 0.22 -2.56 -0.30 0.00 0.00 0.00 0.00 51.96 49.32 1m4g s ALA 75 Cb -0.15 -3.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.20 1m4g s ALA 75 CO 0.10 -2.53 1.17 -0.51 0.00 0.00 0.00 175.76 173.98 1m4g s LEU 76 N 2.30 4.48 -0.55 0.00 1.43 0.36 -4.85 118.68 121.85 1m4g s LEU 76 Ca 0.19 2.26 -0.28 0.00 -1.03 0.00 0.00 54.13 55.26 1m4g s LEU 76 Cb -0.16 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1m4g s LEU 76 CO -0.01 -0.31 1.17 -0.60 0.23 0.00 0.00 176.35 176.84 1m4g s ARG 77 N -0.65 3.58 -0.08 1.70 3.52 -1.26 -2.17 118.95 123.58 1m4g s ARG 77 Ca 0.50 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 56.47 1m4g s ARG 77 Cb -0.33 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 29.06 1m4g s ARG 77 CO 0.39 -1.58 -0.14 0.00 -0.81 0.00 0.00 175.30 173.15 1m4g s GLY 79 N -0.28 1.81 -0.18 0.00 0.00 -0.53 -1.38 107.32 106.75 1m4g s GLY 79 Ca 0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1m4g s GLY 79 CO 0.03 1.30 0.03 -0.47 0.00 0.00 0.00 173.10 173.99 1m4g s TYR 80 N 2.44 3.17 -0.27 1.90 5.04 0.53 -1.32 117.35 128.84 1m4g s TYR 80 Ca 0.19 -0.08 -0.14 0.00 -2.44 0.00 0.00 57.07 54.60 1m4g s TYR 80 Cb -0.15 -2.06 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 1m4g s TYR 80 CO 0.14 0.05 0.34 0.08 -1.34 0.00 0.00 175.55 174.83 1m4g s VAL 81 N 0.48 5.20 0.07 3.14 1.01 -0.13 -0.98 120.40 129.19 1m4g s VAL 81 Ca 0.01 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.58 1m4g s VAL 81 Cb -0.13 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1m4g s VAL 81 CO 0.01 0.18 -0.20 -1.61 0.00 0.00 0.00 175.10 173.48 1m4g s GLU 82 N 1.95 1.21 -1.13 2.72 0.41 0.47 -4.62 118.70 119.71 1m4g s GLU 82 Ca 0.14 -1.03 -0.01 0.00 -0.41 0.00 0.00 54.97 53.66 1m4g s GLU 82 Cb -0.16 -1.39 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1m4g s GLU 82 CO 0.10 0.34 0.16 0.41 -0.49 0.00 0.00 175.26 175.77 1m4g n GLY 83 N 1.48 -0.17 3.67 -1.39 0.00 -1.26 -0.96 105.19 106.55 1m4g n GLY 83 Ca -0.18 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1m4g n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m4g s VAL 84 N -2.80 3.43 -0.20 1.61 1.01 -1.26 -4.27 120.40 117.93 1m4g s VAL 84 Ca 0.08 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 1m4g s VAL 84 Cb -0.03 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1m4g s VAL 84 CO 0.10 -0.04 0.56 0.00 0.00 0.00 0.00 175.10 175.72 1m4g s ALA 85 N 3.67 -1.40 -0.10 5.51 0.00 -0.24 -5.01 121.76 124.19 1m4g s ALA 85 Ca 0.74 1.56 0.03 0.00 0.00 0.00 0.00 51.96 54.28 1m4g s ALA 85 Cb -0.35 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1m4g s ALA 85 CO 0.31 -0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.70 1m4g s VAL 86 N 0.21 1.63 0.45 0.00 1.01 -1.26 -0.86 120.40 121.58 1m4g s VAL 86 Ca -0.01 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1m4g s VAL 86 Cb -0.04 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 1m4g s VAL 86 CO 0.01 0.47 1.24 -1.14 0.00 0.00 0.00 175.10 175.68 1m4g n ARG 87 N 3.92 1.79 -0.11 2.72 0.63 -0.03 -4.78 116.66 120.80 1m4g n ARG 87 Ca -0.20 0.64 0.13 0.00 -0.92 0.00 0.00 57.85 57.50 1m4g n ARG 87 Cb 0.52 -2.37 0.49 0.00 0.45 0.00 0.00 32.46 31.55 1m4g n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1m4g h ALA 88 N 1.84 2.03 0.00 5.13 0.00 -1.95 -0.29 119.26 126.02 1m4g h ALA 88 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1m4g h ALA 88 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1m4g h ALA 88 CO 0.59 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 1m4g n ASP 89 N -4.47 0.68 -0.72 0.00 5.75 -1.26 -2.76 116.55 113.76 1m4g n ASP 89 Ca 0.11 0.65 0.06 0.00 -0.01 0.00 0.00 54.79 55.60 1m4g n ASP 89 Cb 0.41 -0.80 0.18 0.00 -1.03 0.00 0.00 41.12 39.88 1m4g n ASP 89 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1m4g n TRP 90 N -2.22 0.60 -1.87 2.11 7.02 -0.13 -5.02 117.44 117.93 1m4g n TRP 90 Ca 0.03 -0.59 -0.32 0.00 -1.02 0.00 0.00 57.50 55.60 1m4g n TRP 90 Cb 0.26 -0.10 0.02 0.00 -2.42 0.00 0.00 31.31 29.08 1m4g n TRP 90 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1m4g s ARG 91 N -1.45 3.30 0.00 -0.99 0.52 -1.11 -4.06 118.95 115.16 1m4g s ARG 91 Ca 0.28 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1m4g s ARG 91 Cb 0.18 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1m4g s ARG 91 CO 0.14 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 175.06 1m4g n GLY 92 N -1.79 0.57 0.19 -3.53 0.00 -1.26 -4.91 105.19 94.47 1m4g n GLY 92 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1m4g n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m4g n GLN 93 N -2.85 1.76 -1.88 1.61 6.02 -1.26 -4.98 117.38 115.80 1m4g n GLN 93 Ca 0.00 -2.48 -0.19 0.00 -0.01 0.00 0.00 57.00 54.32 1m4g n GLN 93 Cb 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.72 1m4g n GLN 93 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1m4g n ARG 94 N -1.15 -1.41 0.19 -1.09 1.74 -1.26 -4.87 116.66 108.81 1m4g n ARG 94 Ca 0.15 1.07 0.06 0.00 -0.77 0.00 0.00 57.85 58.36 1m4g n ARG 94 Cb 0.62 -5.49 0.52 0.00 -1.02 0.00 0.00 32.46 27.10 1m4g n ARG 94 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1m4g h LEU 95 N 0.00 0.10 -2.28 0.55 3.38 -1.94 -0.78 115.31 114.35 1m4g h LEU 95 Ca -0.42 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1m4g h LEU 95 Cb 1.28 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1m4g h LEU 95 CO 0.56 0.18 0.05 1.62 0.09 0.00 0.00 178.44 180.93 1m4g h VAL 96 N 0.11 0.66 -0.63 1.22 3.04 -1.95 -1.07 116.25 117.63 1m4g h VAL 96 Ca 0.03 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.63 1m4g h VAL 96 Cb 0.17 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 1m4g h VAL 96 CO 0.01 0.00 0.05 -1.28 -1.01 0.00 0.00 177.57 175.34 1m4g h SER 97 N 0.00 1.05 -0.47 3.17 0.87 -1.52 0.66 113.55 117.30 1m4g h SER 97 Ca 0.02 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1m4g h SER 97 Cb 0.12 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1m4g h SER 97 CO -0.00 1.07 0.07 0.00 -0.53 0.00 0.00 176.83 177.44 1m4g h ALA 98 N 1.04 0.63 -0.28 6.23 0.00 -1.24 -0.56 119.26 125.09 1m4g h ALA 98 Ca 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1m4g h ALA 98 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1m4g h ALA 98 CO 0.02 0.37 0.17 -0.07 0.00 0.00 0.00 179.25 179.74 1m4g h LEU 99 N 0.66 0.29 -1.27 0.00 3.38 -1.02 -2.93 115.31 114.42 1m4g h LEU 99 Ca 0.14 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1m4g h LEU 99 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1m4g h LEU 99 CO 0.01 0.21 -0.31 -0.07 0.09 0.00 0.00 178.44 178.37 1m4g h LEU 100 N 0.36 0.00 -0.69 1.67 3.38 -0.68 -1.00 115.31 118.35 1m4g h LEU 100 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1m4g h LEU 100 Cb -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1m4g h LEU 100 CO -0.03 0.31 0.44 0.44 0.09 0.00 0.00 178.44 179.69 1m4g h ASP 101 N 0.00 0.74 -0.22 -0.43 3.32 -0.92 0.14 116.42 119.05 1m4g h ASP 101 Ca -0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1m4g h ASP 101 Cb 0.69 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1m4g h ASP 101 CO 0.04 0.53 -0.30 0.00 -1.72 0.00 0.00 179.24 177.79 1m4g h ALA 102 N 1.28 0.34 -0.27 3.45 0.00 -1.23 -1.63 119.26 121.19 1m4g h ALA 102 Ca 0.27 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1m4g h ALA 102 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1m4g h ALA 102 CO -0.08 0.36 0.09 0.28 0.00 0.00 0.00 179.25 179.89 1m4g h VAL 103 N 0.29 0.92 -0.21 0.00 2.07 -1.06 -1.61 116.25 116.65 1m4g h VAL 103 Ca 0.03 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1m4g h VAL 103 Cb 0.88 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1m4g h VAL 103 CO 0.07 0.04 -0.19 -0.33 0.02 0.00 0.00 177.57 177.18 1m4g h GLU 104 N 0.21 0.36 -0.74 1.57 5.08 -0.69 -1.53 114.58 118.83 1m4g h GLU 104 Ca 0.12 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1m4g h GLU 104 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1m4g h GLU 104 CO -0.13 0.54 0.21 0.37 -1.00 0.00 0.00 179.01 179.00 1m4g h GLN 105 N 0.33 1.16 -0.55 2.33 4.15 -0.96 -1.24 115.11 120.33 1m4g h GLN 105 Ca 0.06 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 1m4g h GLN 105 Cb 0.53 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1m4g h GLN 105 CO 0.03 1.00 0.15 0.28 -1.93 0.00 0.00 178.83 178.37 1m4g h VAL 106 N 1.11 1.24 0.02 2.39 2.07 -0.67 -2.08 116.25 120.33 1m4g h VAL 106 Ca 0.24 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1m4g h VAL 106 Cb 0.33 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1m4g h VAL 106 CO -0.00 0.31 -0.01 0.24 0.02 0.00 0.00 177.57 178.12 1m4g h MET 107 N 0.77 -0.03 -0.03 1.57 2.86 -0.87 -1.24 114.93 117.96 1m4g h MET 107 Ca 0.17 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1m4g h MET 107 Cb 0.31 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1m4g h MET 107 CO -0.00 -0.02 -0.15 0.00 1.06 0.00 0.00 176.91 177.80 1m4g h ARG 108 N -0.03 0.04 0.00 1.72 3.08 -1.12 -1.30 114.38 116.78 1m4g h ARG 108 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1m4g h ARG 108 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1m4g h ARG 108 CO -0.00 0.19 -0.66 0.78 -1.07 0.00 0.00 179.97 179.21 1m4g h GLY 109 N 0.52 0.00 0.00 0.04 0.00 -1.00 -3.42 103.07 99.20 1m4g h GLY 109 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1m4g h GLY 109 CO 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.44 1m4g n ALA 110 N -1.88 0.35 -2.43 3.60 0.00 -0.50 -5.09 120.51 114.56 1m4g n ALA 110 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1m4g n ALA 110 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 1m4g n ALA 110 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1m4g s TYR 111 N -0.29 1.92 -0.05 0.00 2.02 -0.51 -5.02 117.35 115.42 1m4g s TYR 111 Ca 0.00 -0.77 0.12 0.00 -0.37 0.00 0.00 57.07 56.05 1m4g s TYR 111 Cb 0.00 -1.14 -0.07 0.00 -0.40 0.00 0.00 41.96 40.35 1m4g s TYR 111 CO 0.00 0.20 1.30 1.96 -1.57 0.00 0.00 175.55 177.45 1m4g h GLN 112 N 2.26 0.00 -2.20 -0.62 4.20 -1.09 -3.44 115.11 114.21 1m4g h GLN 112 Ca -0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1m4g h GLN 112 Cb 1.23 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.84 1m4g h GLN 112 CO 0.68 0.67 0.30 -0.48 -0.67 0.00 0.00 178.83 179.33 1m4g s LEU 113 N -6.49 -0.55 0.24 1.46 2.34 -1.17 -0.84 118.68 113.67 1m4g s LEU 113 Ca 0.02 0.39 -0.02 0.00 0.06 0.00 0.00 54.13 54.58 1m4g s LEU 113 Cb 0.09 2.37 -0.04 0.00 -0.56 0.00 0.00 46.19 48.04 1m4g s LEU 113 CO 0.78 -0.65 0.45 -0.83 -1.06 0.00 0.00 176.35 175.04 1m4g s GLY 114 N -1.72 1.79 0.18 -3.48 0.00 0.05 -1.45 107.32 102.68 1m4g s GLY 114 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 1m4g s GLY 114 CO 0.00 -0.68 0.43 0.00 0.00 0.00 0.00 173.10 172.85 1m4g s ALA 115 N -1.96 -0.62 -0.03 3.20 0.00 -0.44 -0.58 121.76 121.33 1m4g s ALA 115 Ca 0.40 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1m4g s ALA 115 Cb -0.11 0.83 0.11 0.00 0.00 0.00 0.00 23.12 23.95 1m4g s ALA 115 CO 0.30 -0.73 1.03 -0.48 0.00 0.00 0.00 175.76 175.88 1m4g s LEU 116 N -2.90 -0.24 -0.27 0.00 0.05 -0.78 -0.96 118.68 113.59 1m4g s LEU 116 Ca 0.11 -0.09 0.03 0.00 0.05 0.00 0.00 54.13 54.23 1m4g s LEU 116 Cb 0.01 1.81 0.07 0.00 -2.05 0.00 0.00 46.19 46.03 1m4g s LEU 116 CO -0.03 -0.53 -0.05 -0.55 -0.55 0.00 0.00 176.35 174.64 1m4g s SER 117 N -2.54 4.36 0.21 1.48 0.15 -1.26 -1.45 113.70 114.65 1m4g s SER 117 Ca 0.08 -1.53 -0.29 0.00 0.70 0.00 0.00 55.95 54.91 1m4g s SER 117 Cb -0.00 -1.45 -0.08 0.00 -1.71 0.00 0.00 66.02 62.78 1m4g s SER 117 CO -0.05 -0.25 0.92 -0.55 1.20 0.00 0.00 173.24 174.50 1m4g s SER 118 N 1.15 7.59 0.70 5.45 0.15 0.09 -4.96 113.70 123.86 1m4g s SER 118 Ca -0.03 1.88 -0.14 0.00 0.70 0.00 0.00 55.95 58.36 1m4g s SER 118 Cb -0.19 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1m4g s SER 118 CO -0.07 0.14 1.14 -0.94 1.20 0.00 0.00 173.24 174.71 1m4g s SER 119 N -1.00 4.68 0.28 5.45 1.04 -1.26 -4.84 113.70 118.05 1m4g s SER 119 Ca 0.41 2.11 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1m4g s SER 119 Cb -0.25 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.75 1m4g s SER 119 CO 0.31 -1.92 1.92 0.00 0.98 0.00 0.00 173.24 174.52 1m4g h ALA 120 N -0.23 1.43 0.00 5.32 0.00 -1.97 -2.25 119.26 121.55 1m4g h ALA 120 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1m4g h ALA 120 Cb 1.26 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1m4g h ALA 120 CO 0.52 0.45 -0.10 0.00 0.00 0.00 0.00 179.25 180.12 1m4g h ARG 121 N 1.13 0.00 -0.01 0.00 3.08 -2.05 -2.70 114.38 113.84 1m4g h ARG 121 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1m4g h ARG 121 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1m4g h ARG 121 CO -0.13 0.10 -0.71 0.00 -1.07 0.00 0.00 179.97 178.16 1m4g n ALA 122 N -2.22 4.10 -0.26 0.04 0.00 -0.87 -4.45 120.51 116.86 1m4g n ALA 122 Ca -0.01 -0.57 0.05 0.00 0.00 0.00 0.00 53.44 52.90 1m4g n ALA 122 Cb 0.25 -0.85 0.18 0.00 0.00 0.00 0.00 19.45 19.04 1m4g n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m4g h ARG 123 N 0.89 0.44 0.00 0.00 3.08 -1.28 -0.38 114.38 117.13 1m4g h ARG 123 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1m4g h ARG 123 Cb 0.58 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1m4g h ARG 123 CO 0.00 0.29 -0.30 0.07 -1.07 0.00 0.00 179.97 178.96 1m4g h ARG 124 N 0.45 0.00 -0.16 0.04 0.11 -1.78 -1.95 114.38 111.08 1m4g h ARG 124 Ca 0.41 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.46 1m4g h ARG 124 Cb 0.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 1m4g h ARG 124 CO -0.39 0.30 -0.02 -0.07 0.10 0.00 0.00 179.97 179.88 1m4g h LEU 125 N 0.00 0.30 -0.34 0.08 3.38 -1.35 -1.91 115.31 115.47 1m4g h LEU 125 Ca -0.00 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1m4g h LEU 125 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1m4g h LEU 125 CO 0.04 0.58 -0.02 1.88 0.09 0.00 0.00 178.44 181.01 1m4g h TYR 126 N 0.02 0.67 -1.00 1.13 0.05 -1.28 -2.85 116.97 113.71 1m4g h TYR 126 Ca 0.04 -0.12 0.07 0.00 0.05 0.00 0.00 58.73 58.77 1m4g h TYR 126 Cb 0.44 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 37.94 1m4g h TYR 126 CO 0.05 0.74 0.65 0.00 -1.05 0.00 0.00 178.16 178.54 1m4g h ALA 127 N 0.85 1.41 0.00 3.88 0.00 -1.32 -0.71 119.26 123.37 1m4g h ALA 127 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1m4g h ALA 127 Cb 0.48 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1m4g h ALA 127 CO 0.02 0.44 -0.09 0.66 0.00 0.00 0.00 179.25 180.28 1m4g h SER 128 N 1.17 0.00 -0.06 0.00 4.64 -1.11 -1.35 113.55 116.84 1m4g h SER 128 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1m4g h SER 128 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1m4g h SER 128 CO -0.17 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.41 1m4g n ARG 129 N -3.41 1.73 0.00 4.77 1.74 -0.33 -4.91 116.66 116.25 1m4g n ARG 129 Ca -0.01 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 1m4g n ARG 129 Cb 0.24 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1m4g n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4g n GLY 130 N 1.18 0.54 3.76 -0.13 0.00 -0.51 -5.06 105.19 104.98 1m4g n GLY 130 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1m4g n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1m4g s TRP 131 N -2.00 3.27 -0.16 1.61 0.52 -0.88 -4.92 118.94 116.39 1m4g s TRP 131 Ca 0.00 1.55 -0.10 0.00 0.02 0.00 0.00 56.10 57.57 1m4g s TRP 131 Cb 0.00 -3.48 -0.05 0.00 -1.15 0.00 0.00 33.47 28.80 1m4g s TRP 131 CO 0.00 -1.23 0.18 -0.51 0.02 0.00 0.00 176.95 175.41 1m4g s LEU 132 N -1.74 4.27 0.18 2.99 1.43 0.46 -4.15 118.68 122.11 1m4g s LEU 132 Ca 0.48 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 1m4g s LEU 132 Cb -0.35 -2.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.61 1m4g s LEU 132 CO 0.46 0.22 1.31 -2.16 0.23 0.00 0.00 176.35 176.41 1m4g s PRO 133 N 0.03 4.38 -0.35 1.29 0.04 -1.26 -0.79 135.00 138.34 1m4g s PRO 133 Ca 0.12 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 1m4g s PRO 133 Cb -0.12 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1m4g s PRO 133 CO 0.01 -0.27 0.90 -0.46 0.04 0.00 0.00 177.00 177.22 1m4g s TRP 134 N 0.28 3.11 -0.14 0.56 -0.11 0.42 -4.91 118.94 118.16 1m4g s TRP 134 Ca 0.58 0.80 0.17 0.00 1.22 0.00 0.00 56.10 58.87 1m4g s TRP 134 Cb -0.36 -3.54 -0.09 0.00 -1.50 0.00 0.00 33.47 27.98 1m4g s TRP 134 CO 0.37 -0.76 0.96 0.45 -4.62 0.00 0.00 176.95 173.34 1m4g h HIS 135 N 8.37 0.00 -3.97 5.86 3.86 -1.22 -3.39 115.15 124.66 1m4g h HIS 135 Ca -0.23 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.53 1m4g h HIS 135 Cb 1.08 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.71 1m4g h HIS 135 CO 0.82 0.51 0.26 0.20 0.86 0.00 0.00 177.93 180.57 1m4g s GLY 136 N -4.69 1.60 0.28 2.45 0.00 -0.56 -4.90 107.32 101.49 1m4g s GLY 136 Ca -0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 1m4g s GLY 136 CO 0.80 -0.02 1.27 2.56 0.00 0.00 0.00 173.10 177.71 1m4g s PRO 137 N -5.34 4.42 0.14 2.90 0.04 -1.26 -4.81 135.00 131.10 1m4g s PRO 137 Ca 0.67 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.83 1m4g s PRO 137 Cb -0.13 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1m4g s PRO 137 CO 0.55 -0.14 0.23 0.95 0.04 0.00 0.00 177.00 178.63 1m4g s THR 138 N -0.70 5.09 0.31 1.26 -4.23 -1.26 -2.21 115.64 113.90 1m4g s THR 138 Ca 0.51 -0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1m4g s THR 138 Cb -0.37 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 69.88 1m4g s THR 138 CO 0.46 -0.06 0.54 -0.94 -0.54 0.00 0.00 174.62 174.08 1m4g s SER 139 N -3.09 0.32 0.03 3.99 1.04 -0.62 -1.46 113.70 113.91 1m4g s SER 139 Ca 0.33 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.62 1m4g s SER 139 Cb -0.11 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1m4g s SER 139 CO 0.27 -1.32 -0.12 0.54 0.98 0.00 0.00 173.24 173.59 1m4g s VAL 140 N -3.30 0.92 -1.16 5.02 0.11 0.24 -0.93 120.40 121.30 1m4g s VAL 140 Ca 0.24 -0.86 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 1m4g s VAL 140 Cb -0.02 -0.84 0.14 0.00 -1.53 0.00 0.00 36.38 34.13 1m4g s VAL 140 CO 0.14 -0.01 1.42 -0.22 -3.33 0.00 0.00 175.10 173.10 1m4g s LEU 141 N -0.99 4.81 0.91 2.54 2.96 -0.17 -0.74 118.68 128.01 1m4g s LEU 141 Ca 0.00 -2.67 -0.12 0.00 -0.22 0.00 0.00 54.13 51.12 1m4g s LEU 141 Cb -0.07 -2.43 0.14 0.00 0.50 0.00 0.00 46.19 44.32 1m4g s LEU 141 CO 0.01 -0.90 1.14 0.00 -1.32 0.00 0.00 176.35 175.28 1m4g s ALA 142 N 2.31 1.83 0.63 5.97 0.00 -0.98 -3.88 121.76 127.65 1m4g s ALA 142 Ca 0.43 -0.56 0.36 0.00 0.00 0.00 0.00 51.96 52.19 1m4g s ALA 142 Cb -0.02 -3.02 2.04 0.00 0.00 0.00 0.00 23.12 22.12 1m4g s ALA 142 CO -0.01 -2.26 2.25 -1.35 0.00 0.00 0.00 175.76 174.38 1m4g h PRO 143 N -1.48 0.00 -0.01 0.00 0.11 -2.01 0.38 132.00 128.99 1m4g h PRO 143 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1m4g h PRO 143 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1m4g h PRO 143 CO 0.61 0.00 -0.25 0.25 -0.21 0.00 0.00 178.00 178.40 1m4g n THR 144 N -3.42 0.00 0.00 -1.15 -2.24 -1.26 -5.06 114.28 101.15 1m4g n THR 144 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1m4g n THR 144 Cb 0.15 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1m4g n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m4g n GLY 145 N 1.34 1.11 3.67 3.38 0.00 0.13 -5.05 105.19 109.77 1m4g n GLY 145 Ca 0.12 -2.30 -0.44 0.00 0.00 0.00 0.00 46.02 43.39 1m4g n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1m4g n PRO 146 N -1.01 1.96 -3.77 1.61 -0.02 -1.26 -2.33 135.00 130.19 1m4g n PRO 146 Ca 0.00 0.69 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1m4g n PRO 146 Cb 0.00 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.05 1m4g n PRO 146 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1m4g s VAL 147 N -0.44 -0.02 0.53 -1.45 0.11 0.09 -4.90 120.40 114.32 1m4g s VAL 147 Ca 0.64 0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 59.56 1m4g s VAL 147 Cb -0.64 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1m4g s VAL 147 CO 0.54 0.03 1.27 -0.13 -3.33 0.00 0.00 175.10 173.49 1m4g s ARG 148 N 0.67 3.31 -0.56 1.54 1.81 -1.26 -0.59 118.95 123.87 1m4g s ARG 148 Ca -0.05 2.03 0.06 0.00 -1.72 0.00 0.00 55.73 56.05 1m4g s ARG 148 Cb -0.06 -2.25 0.29 0.00 -0.45 0.00 0.00 34.95 32.48 1m4g s ARG 148 CO -0.04 -0.99 0.80 0.25 -0.68 0.00 0.00 175.30 174.64 1m4g n THR 149 N -0.95 2.03 0.00 0.02 -2.24 -0.53 -4.82 114.28 107.78 1m4g n THR 149 Ca 0.10 -5.16 0.13 0.00 -2.27 0.00 0.00 64.05 56.85 1m4g n THR 149 Cb 0.47 -1.64 0.56 0.00 -2.10 0.00 0.00 70.33 67.62 1m4g n THR 149 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1m4g h PRO 150 N 3.59 0.25 -0.06 -0.78 0.13 -1.94 -0.07 132.00 133.11 1m4g h PRO 150 Ca 0.15 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1m4g h PRO 150 Cb 0.66 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1m4g h PRO 150 CO 0.75 0.16 0.07 -0.44 -0.23 0.00 0.00 178.00 178.32 1m4g h ASP 151 N 0.25 0.00 0.05 1.44 3.32 -1.96 -1.73 116.42 117.79 1m4g h ASP 151 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1m4g h ASP 151 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1m4g h ASP 151 CO -0.04 0.00 -0.20 0.47 -1.72 0.00 0.00 179.24 177.75 1m4g n ASP 152 N -3.87 1.88 -4.76 6.45 8.00 -0.04 -4.93 116.55 119.27 1m4g n ASP 152 Ca -0.01 -1.46 -0.39 0.00 0.71 0.00 0.00 54.79 53.63 1m4g n ASP 152 Cb 0.17 0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1m4g n ASP 152 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1m4g s ASP 153 N -2.26 5.73 0.00 -2.24 1.01 -0.65 -2.19 116.67 116.07 1m4g s ASP 153 Ca 0.27 2.82 0.00 0.00 0.71 0.00 0.00 52.55 56.34 1m4g s ASP 153 Cb 0.19 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1m4g s ASP 153 CO 0.44 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 175.17 1m4g n GLY 154 N 0.63 0.72 0.00 0.21 0.00 -1.26 -4.86 105.19 100.63 1m4g n GLY 154 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1m4g n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m4g n THR 155 N -2.26 0.00 -2.94 2.61 -2.24 -0.93 -5.00 114.28 103.52 1m4g n THR 155 Ca 0.00 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 1m4g n THR 155 Cb 0.02 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1m4g n THR 155 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m4g s VAL 156 N -2.36 4.33 0.04 2.28 1.01 -1.26 -0.73 120.40 123.72 1m4g s VAL 156 Ca -0.02 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.74 1m4g s VAL 156 Cb 0.05 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1m4g s VAL 156 CO 0.31 0.46 -0.14 -0.36 0.00 0.00 0.00 175.10 175.37 1m4g s PHE 157 N -1.22 1.23 0.14 5.22 0.40 -0.53 -0.43 117.98 122.79 1m4g s PHE 157 Ca 0.38 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1m4g s PHE 157 Cb -0.23 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 1m4g s PHE 157 CO 0.26 0.04 -0.12 0.14 0.70 0.00 0.00 175.22 176.24 1m4g s VAL 158 N -0.88 1.29 -0.41 -0.44 -7.23 0.03 -1.86 120.40 110.90 1m4g s VAL 158 Ca 0.01 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1m4g s VAL 158 Cb -0.08 -1.71 0.14 0.00 0.56 0.00 0.00 36.38 35.29 1m4g s VAL 158 CO 0.01 -0.58 0.23 -0.22 -0.31 0.00 0.00 175.10 174.23 1m4g s LEU 159 N -2.85 2.21 0.33 1.32 2.96 0.25 -0.41 118.68 122.50 1m4g s LEU 159 Ca 0.13 -2.50 -0.28 0.00 -0.22 0.00 0.00 54.13 51.26 1m4g s LEU 159 Cb -0.01 -0.85 -0.10 0.00 0.50 0.00 0.00 46.19 45.72 1m4g s LEU 159 CO 0.02 -0.28 1.25 -2.16 -1.32 0.00 0.00 176.35 173.86 1m4g s PRO 160 N 0.55 4.35 -0.39 0.98 0.04 -1.26 -0.77 135.00 138.50 1m4g s PRO 160 Ca 0.18 2.08 -0.04 0.00 0.04 0.00 0.00 61.00 63.25 1m4g s PRO 160 Cb -0.24 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 31.37 1m4g s PRO 160 CO 0.00 -0.14 0.18 0.42 0.04 0.00 0.00 177.00 177.50 1m4g s ILE 161 N -1.19 3.48 -0.82 0.56 -1.09 -0.02 -4.72 121.20 117.40 1m4g s ILE 161 Ca 0.49 -1.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1m4g s ILE 161 Cb -0.37 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1m4g s ILE 161 CO 0.48 -0.53 0.00 0.47 -1.23 0.00 0.00 174.94 174.13 1m4g n ASP 162 N 4.69 -3.14 -4.21 3.58 8.00 -1.26 -4.83 116.55 119.37 1m4g n ASP 162 Ca -0.06 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.53 1m4g n ASP 162 Cb 0.42 -2.74 -0.11 0.00 -0.02 0.00 0.00 41.12 38.67 1m4g n ASP 162 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1m4g s ILE 163 N -2.40 1.18 -0.22 0.53 -4.36 -1.26 -5.14 121.20 109.53 1m4g s ILE 163 Ca 0.00 -1.67 -0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1m4g s ILE 163 Cb 0.00 -1.45 -0.01 0.00 1.25 0.00 0.00 42.46 42.25 1m4g s ILE 163 CO 0.00 -0.46 -0.02 -0.55 0.24 0.00 0.00 174.94 174.16 1m4g s SER 164 N -2.41 4.52 -0.06 4.36 0.15 -1.26 -4.85 113.70 114.14 1m4g s SER 164 Ca 0.07 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.43 1m4g s SER 164 Cb -0.04 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.46 1m4g s SER 164 CO 0.02 -0.01 -0.17 -0.76 1.20 0.00 0.00 173.24 173.52 1m4g s LEU 165 N 1.44 2.58 -0.63 3.45 1.43 -1.26 -5.06 118.68 120.62 1m4g s LEU 165 Ca 0.05 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.61 1m4g s LEU 165 Cb -0.14 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.60 1m4g s LEU 165 CO -0.01 0.30 1.12 -0.62 0.23 0.00 0.00 176.35 177.37 1m4g s ASP 166 N -0.46 6.29 0.00 2.29 2.15 -1.26 -4.87 116.67 120.81 1m4g s ASP 166 Ca 0.06 -0.34 0.11 0.00 0.43 0.00 0.00 52.55 52.81 1m4g s ASP 166 Cb -0.12 -2.51 0.68 0.00 -0.30 0.00 0.00 42.92 40.68 1m4g s ASP 166 CO 0.02 -1.52 1.15 0.35 -0.17 0.00 0.00 175.17 175.00 1m4g n THR 167 N 6.35 0.00 1.00 1.71 -2.24 -1.26 -1.77 114.28 118.07 1m4g n THR 167 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1m4g n THR 167 Cb 0.48 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1m4g n THR 167 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1m4g n SER 168 N -0.80 1.89 -4.79 3.42 3.41 -1.26 -0.67 113.62 114.83 1m4g n SER 168 Ca 0.09 -1.45 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 1m4g n SER 168 Cb 0.04 0.55 0.11 0.00 -0.26 0.00 0.00 64.21 64.65 1m4g n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m4g s ALA 169 N -2.54 2.50 0.48 7.33 0.00 -0.73 -3.89 121.76 124.90 1m4g s ALA 169 Ca 0.17 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 1m4g s ALA 169 Cb 0.18 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1m4g s ALA 169 CO 0.61 -1.85 1.21 -1.21 0.00 0.00 0.00 175.76 174.52 1m4g s GLU 170 N -5.59 3.62 -0.05 0.00 8.01 -1.26 -4.01 118.70 119.42 1m4g s GLU 170 Ca 0.64 1.87 0.00 0.00 0.01 0.00 0.00 54.97 57.50 1m4g s GLU 170 Cb -0.10 -2.37 0.02 0.00 -4.31 0.00 0.00 34.13 27.37 1m4g s GLU 170 CO 0.50 -0.70 -0.04 -1.17 0.01 0.00 0.00 175.26 173.87 1m4g s LEU 171 N -3.15 1.18 -0.20 1.80 2.96 -0.94 -4.57 118.68 115.76 1m4g s LEU 171 Ca 0.65 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1m4g s LEU 171 Cb -0.31 -0.46 0.03 0.00 0.50 0.00 0.00 46.19 45.95 1m4g s LEU 171 CO 0.37 -0.08 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.84 1m4g s MET 172 N 1.16 2.64 0.60 1.98 -2.45 -0.56 -1.59 119.30 121.08 1m4g s MET 172 Ca -0.07 -0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 53.37 1m4g s MET 172 Cb -0.14 -2.58 -0.00 0.00 1.25 0.00 0.00 34.83 33.36 1m4g s MET 172 CO -0.01 -0.32 0.94 0.00 1.05 0.00 0.00 175.02 176.68 1m4g s ASP 174 N -4.26 4.34 0.29 0.00 1.47 -1.05 -1.00 116.67 116.46 1m4g s ASP 174 Ca 0.54 0.77 -0.15 0.00 1.18 0.00 0.00 52.55 54.88 1m4g s ASP 174 Cb -0.11 -1.24 -0.09 0.00 -0.34 0.00 0.00 42.92 41.14 1m4g s ASP 174 CO 0.48 -2.01 0.72 0.86 0.68 0.00 0.00 175.17 175.89 1m4g s TRP 175 N -3.57 3.43 0.15 2.11 -0.11 -1.25 -4.72 118.94 114.98 1m4g s TRP 175 Ca 0.63 1.22 -0.25 0.00 1.22 0.00 0.00 56.10 58.92 1m4g s TRP 175 Cb -0.11 -2.53 0.06 0.00 -1.50 0.00 0.00 33.47 29.39 1m4g s TRP 175 CO 0.50 0.16 0.85 -0.98 -4.62 0.00 0.00 176.95 172.85 1m4g s ARG 176 N -2.77 1.25 0.85 5.86 1.70 -1.26 -5.12 118.95 119.47 1m4g s ARG 176 Ca 0.51 -0.63 -0.11 0.00 -0.47 0.00 0.00 55.73 55.03 1m4g s ARG 176 Cb -0.12 0.47 0.10 0.00 -0.57 0.00 0.00 34.95 34.83 1m4g s ARG 176 CO 0.18 -0.57 1.09 0.00 -1.08 0.00 0.00 175.30 174.93 1m4g s ALA 177 N -3.44 1.80 0.00 7.88 0.00 -1.26 -4.67 121.76 122.07 1m4g s ALA 177 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1m4g s ALA 177 Cb -0.02 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1m4g s ALA 177 CO -0.01 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 174.02 1m4g n GLY 178 N -1.27 0.75 3.68 0.00 0.00 -1.26 -4.59 105.19 102.50 1m4g n GLY 178 Ca 0.07 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1m4g n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m4g s ASP 179 N -4.00 6.90 0.19 1.61 1.01 -1.26 -4.90 116.67 116.22 1m4g s ASP 179 Ca 0.00 2.02 0.08 0.00 0.71 0.00 0.00 52.55 55.36 1m4g s ASP 179 Cb 0.00 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.42 1m4g s ASP 179 CO 0.00 -0.70 1.43 -0.37 0.21 0.00 0.00 175.17 175.74 1m4g h VAL 180 N 5.01 1.59 -0.03 -1.27 -1.51 -1.83 -3.48 116.25 114.73 1m4g h VAL 180 Ca -0.36 -2.83 0.00 0.00 -1.23 0.00 0.00 66.70 62.28 1m4g h VAL 180 Cb 1.17 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.86 1m4g h VAL 180 CO 0.90 0.81 0.00 0.79 -1.23 0.00 0.00 177.57 178.84