#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 108m s VAL 1 N 0.00 0.14 0.23 3.17 1.01 -1.26 -5.07 120.40 118.62 108m s VAL 1 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 108m s VAL 1 Cb 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 108m s VAL 1 CO 0.00 0.10 0.51 -0.76 0.00 0.00 0.00 175.10 174.95 108m s LEU 2 N 0.68 4.16 0.62 3.92 1.02 -1.26 -5.09 118.68 122.73 108m s LEU 2 Ca -0.06 0.77 -0.06 0.00 0.02 0.00 0.00 54.13 54.80 108m s LEU 2 Cb -0.09 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.59 108m s LEU 2 CO -0.01 -0.08 0.93 -0.94 0.02 0.00 0.00 176.35 176.27 108m s SER 3 N -2.62 5.40 0.36 2.29 1.04 -1.26 -4.92 113.70 113.98 108m s SER 3 Ca 0.45 0.66 0.03 0.00 0.48 0.00 0.00 55.95 57.56 108m s SER 3 Cb -0.11 -1.56 0.66 0.00 0.10 0.00 0.00 66.02 65.11 108m s SER 3 CO 0.25 -1.20 2.01 -0.08 0.98 0.00 0.00 173.24 175.20 108m h GLU 4 N -0.29 0.80 -0.27 4.02 4.57 -1.99 -1.36 114.58 120.05 108m h GLU 4 Ca -0.45 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.59 108m h GLU 4 Cb 1.27 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 108m h GLU 4 CO 0.61 0.53 -0.21 0.78 -1.18 0.00 0.00 179.01 179.53 108m h GLY 5 N 0.83 0.54 1.51 1.92 0.00 -1.99 -0.60 103.07 105.27 108m h GLY 5 Ca 0.22 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 108m h GLY 5 CO -0.05 0.38 -0.62 0.83 0.00 0.00 0.00 176.54 177.09 108m h GLU 6 N 0.45 0.50 -0.40 4.80 5.08 -1.69 -2.36 114.58 120.97 108m h GLU 6 Ca 0.07 -0.35 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 108m h GLU 6 Cb 0.62 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 108m h GLU 6 CO 0.04 0.97 -0.31 -1.49 -1.00 0.00 0.00 179.01 177.22 108m h TRP 7 N 0.37 1.04 -0.78 4.33 4.06 -0.97 -2.26 115.95 121.74 108m h TRP 7 Ca -0.01 -0.28 -0.01 0.00 2.06 0.00 0.00 58.89 60.65 108m h TRP 7 Cb 1.17 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 29.07 108m h TRP 7 CO 0.05 1.08 0.43 1.96 -3.56 0.00 0.00 178.44 178.39 108m h GLN 8 N 0.74 1.08 -0.39 0.49 1.08 -1.02 0.17 115.11 117.26 108m h GLN 8 Ca 0.08 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 108m h GLN 8 Cb 0.88 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 108m h GLN 8 CO 0.08 0.79 0.01 -0.07 -0.95 0.00 0.00 178.83 178.68 108m h LEU 9 N 1.08 0.67 -0.27 1.46 3.38 -1.25 -0.89 115.31 119.49 108m h LEU 9 Ca 0.28 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 108m h LEU 9 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 108m h LEU 9 CO -0.05 0.81 0.12 0.58 0.09 0.00 0.00 178.44 179.99 108m h VAL 10 N 0.52 1.17 0.00 1.22 2.07 -0.83 -2.89 116.25 117.50 108m h VAL 10 Ca 0.11 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 108m h VAL 10 Cb 0.46 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 108m h VAL 10 CO 0.02 0.17 -0.29 -0.07 0.02 0.00 0.00 177.57 177.42 108m h LEU 11 N 0.29 0.00 -0.18 2.57 3.38 -0.66 -1.64 115.31 119.07 108m h LEU 11 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 108m h LEU 11 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 108m h LEU 11 CO -0.01 0.29 -0.14 -0.74 0.09 0.00 0.00 178.44 177.93 108m h HIS 12 N 0.00 0.48 -0.18 1.13 2.76 -0.96 -1.50 115.15 116.88 108m h HIS 12 Ca -0.00 -0.14 -0.18 0.00 -2.20 0.00 0.00 60.37 57.85 108m h HIS 12 Cb 0.74 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 108m h HIS 12 CO 0.00 0.75 -0.63 -0.24 -1.30 0.00 0.00 177.93 176.52 108m h VAL 13 N 0.07 1.31 -0.33 5.26 3.04 -1.43 -3.07 116.25 121.10 108m h VAL 13 Ca 0.03 -1.88 0.01 0.00 -1.01 0.00 0.00 66.70 63.85 108m h VAL 13 Cb 0.66 1.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 108m h VAL 13 CO 0.04 0.59 0.22 -0.25 -1.01 0.00 0.00 177.57 177.16 108m h TRP 14 N 0.47 0.38 -0.23 3.17 2.91 -1.22 -0.49 115.95 120.95 108m h TRP 14 Ca -0.01 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 108m h TRP 14 Cb 1.21 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.72 108m h TRP 14 CO 0.06 0.23 0.13 0.00 -1.03 0.00 0.00 178.44 177.84 108m h ALA 15 N 1.80 1.81 -0.11 2.65 0.00 -1.17 -1.18 119.26 123.06 108m h ALA 15 Ca 0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 108m h ALA 15 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 108m h ALA 15 CO -0.03 0.17 -0.85 0.87 0.00 0.00 0.00 179.25 179.41 108m h LYS 16 N 0.31 0.76 -0.70 0.00 1.79 -1.17 -3.09 116.57 114.47 108m h LYS 16 Ca 0.08 -0.67 0.06 0.00 -2.18 0.00 0.00 60.65 57.95 108m h LYS 16 Cb -0.01 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 108m h LYS 16 CO -0.02 1.27 0.46 0.28 -1.08 0.00 0.00 179.45 180.37 108m h VAL 17 N 0.50 1.02 0.00 0.50 2.07 -1.00 -1.50 116.25 117.84 108m h VAL 17 Ca -0.07 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.20 108m h VAL 17 Cb 1.48 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 108m h VAL 17 CO 0.17 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 177.27 108m n GLU 18 N -4.48 0.03 0.00 1.57 1.02 -0.51 -1.83 120.64 116.43 108m n GLU 18 Ca 0.10 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.60 108m n GLU 18 Cb 0.23 -1.55 0.54 0.00 -0.02 0.00 0.00 31.44 30.64 108m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 108m n ALA 19 N -1.54 2.16 -2.77 0.62 0.00 -0.56 -4.17 120.51 114.25 108m n ALA 19 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 108m n ALA 19 Cb 0.21 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.32 108m n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 108m n ASP 20 N -1.48 -2.33 -0.11 0.00 2.03 -0.76 -5.03 116.55 108.88 108m n ASP 20 Ca 0.07 -3.54 -0.07 0.00 0.52 0.00 0.00 54.79 51.77 108m n ASP 20 Cb 0.28 1.75 -0.00 0.00 -0.72 0.00 0.00 41.12 42.42 108m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 108m h VAL 21 N 2.89 0.32 -0.83 5.18 2.07 -1.68 -2.05 116.25 122.14 108m h VAL 21 Ca -0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 108m h VAL 21 Cb 1.07 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 108m h VAL 21 CO 0.21 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.19 108m h ALA 22 N 0.93 1.08 -0.59 1.67 0.00 -1.91 0.36 119.26 120.79 108m h ALA 22 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 108m h ALA 22 Cb 0.49 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 108m h ALA 22 CO -0.50 0.65 0.09 0.78 0.00 0.00 0.00 179.25 180.28 108m h GLY 23 N 1.19 1.05 1.02 0.00 0.00 -1.88 -1.89 103.07 102.56 108m h GLY 23 Ca 0.28 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 108m h GLY 23 CO -0.03 0.65 -0.30 0.45 0.00 0.00 0.00 176.54 177.31 108m h HIS 24 N 0.88 0.93 -0.62 5.60 3.86 -1.10 -2.03 115.15 122.68 108m h HIS 24 Ca 0.18 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 108m h HIS 24 Cb 0.42 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 108m h HIS 24 CO 0.03 1.04 0.40 0.78 0.86 0.00 0.00 177.93 181.05 108m h GLY 25 N 0.55 0.87 1.00 2.45 0.00 -0.87 -1.16 103.07 105.92 108m h GLY 25 Ca 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 108m h GLY 25 CO 0.08 0.30 -0.39 -1.61 0.00 0.00 0.00 176.54 174.92 108m h GLN 26 N 0.82 -1.04 -0.82 4.80 4.15 -1.27 -2.17 115.11 119.58 108m h GLN 26 Ca 0.23 0.07 0.14 0.00 0.77 0.00 0.00 58.65 59.86 108m h GLN 26 Cb -0.07 0.24 -0.09 0.00 0.21 0.00 0.00 27.48 27.77 108m h GLN 26 CO -0.06 -0.69 0.41 -0.44 -1.93 0.00 0.00 178.83 176.12 108m h ASP 27 N -1.08 0.50 0.30 -0.69 5.19 -1.23 -1.56 116.42 117.85 108m h ASP 27 Ca -0.11 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 108m h ASP 27 Cb 0.83 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.35 108m h ASP 27 CO 0.17 0.22 -0.14 0.40 -3.12 0.00 0.00 179.24 176.78 108m h ILE 28 N 0.61 0.73 -0.41 0.35 2.04 -1.13 -0.86 117.51 118.85 108m h ILE 28 Ca 0.44 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.94 108m h ILE 28 Cb 0.60 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 108m h ILE 28 CO -0.35 0.09 0.10 -0.07 0.00 0.00 0.00 178.15 177.92 108m h LEU 29 N -0.63 0.05 -0.09 1.44 3.38 -1.15 -0.79 115.31 117.52 108m h LEU 29 Ca -0.04 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 108m h LEU 29 Cb 0.45 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 108m h LEU 29 CO 0.07 0.06 0.05 0.40 0.09 0.00 0.00 178.44 179.11 108m h ILE 30 N 0.23 1.05 -0.04 1.22 2.04 -1.31 -0.58 117.51 120.13 108m h ILE 30 Ca 0.20 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.96 108m h ILE 30 Cb 0.22 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 108m h ILE 30 CO -0.24 0.04 -0.41 -0.09 0.00 0.00 0.00 178.15 177.45 108m h ARG 31 N 0.08 -0.52 -0.55 2.37 9.65 -0.62 0.16 114.38 124.95 108m h ARG 31 Ca 0.03 0.04 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 108m h ARG 31 Cb 0.03 0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 28.63 108m h ARG 31 CO -0.01 -0.35 -0.02 1.25 2.80 0.00 0.00 179.97 183.65 108m h LEU 32 N -0.54 -0.28 -1.46 3.80 5.85 -0.92 0.30 115.31 122.06 108m h LEU 32 Ca 0.06 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 108m h LEU 32 Cb 0.64 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 108m h LEU 32 CO -0.33 -0.11 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.13 108m h PHE 33 N 0.10 0.00 0.01 1.25 0.04 -0.62 -0.52 116.94 117.20 108m h PHE 33 Ca 0.28 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 108m h PHE 33 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 108m h PHE 33 CO -0.36 0.27 -0.01 0.87 -0.60 0.00 0.00 178.31 178.49 108m h LYS 34 N 0.00 -0.02 0.00 1.51 1.57 0.98 -3.07 116.57 117.54 108m h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 108m h LYS 34 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 108m h LYS 34 CO 0.04 0.75 0.00 -1.13 -0.57 0.00 0.00 179.45 178.53 108m n SER 35 N -4.68 0.00 -2.86 0.86 3.41 -0.07 -3.99 113.62 106.29 108m n SER 35 Ca -0.08 -0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.23 108m n SER 35 Cb 0.37 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 108m n SER 35 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 108m n HIS 36 N -1.25 -2.36 -0.45 7.33 8.25 -0.21 -5.02 115.22 121.51 108m n HIS 36 Ca 0.13 -2.37 0.41 0.00 -0.26 0.00 0.00 57.72 55.64 108m n HIS 36 Cb 0.19 1.06 0.76 0.00 1.12 0.00 0.00 29.99 33.12 108m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 108m h PRO 37 N 3.63 0.00 -0.94 -0.41 0.11 -1.66 -0.19 132.00 132.53 108m h PRO 37 Ca -0.07 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.06 108m h PRO 37 Cb 1.02 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 108m h PRO 37 CO 0.32 0.00 0.62 1.05 -0.21 0.00 0.00 178.00 179.78 108m h GLU 38 N 0.00 1.19 -0.52 1.05 9.09 -1.92 -2.36 114.58 121.11 108m h GLU 38 Ca 0.69 -0.07 0.07 0.00 0.05 0.00 0.00 59.36 60.11 108m h GLU 38 Cb 2.87 -0.27 -0.03 0.00 -1.65 0.00 0.00 28.75 29.67 108m h GLU 38 CO -0.01 0.79 0.35 1.79 0.05 0.00 0.00 179.01 181.98 108m h THR 39 N 1.23 0.94 0.00 -1.06 1.35 -1.37 -0.07 112.91 113.93 108m h THR 39 Ca 0.36 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 66.08 108m h THR 39 Cb -0.06 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 66.87 108m h THR 39 CO -0.10 0.07 -0.01 0.25 -0.25 0.00 0.00 175.52 175.49 108m h LEU 40 N 0.40 0.00 -1.37 3.87 5.85 -1.59 -0.49 115.31 121.99 108m h LEU 40 Ca 0.23 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 108m h LEU 40 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 108m h LEU 40 CO -0.06 0.01 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.49 108m h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.12 -2.28 114.58 117.52 108m h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 108m h GLU 41 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 108m h GLU 41 CO 0.00 0.23 0.00 0.87 -1.00 0.00 0.00 179.01 179.11 108m h LYS 42 N 0.00 0.00 -4.31 2.33 6.56 -1.22 -3.38 116.57 116.55 108m h LYS 42 Ca -0.00 0.00 -0.74 0.00 -1.06 0.00 0.00 60.65 58.85 108m h LYS 42 Cb 0.63 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.05 108m h LYS 42 CO 0.03 0.00 -0.35 -0.06 -2.06 0.00 0.00 179.45 177.01 108m s PHE 43 N -3.73 3.28 0.29 -1.35 0.40 -0.86 -4.92 117.98 111.09 108m s PHE 43 Ca 0.00 -1.16 0.25 0.00 -0.60 0.00 0.00 56.93 55.42 108m s PHE 43 Cb 0.10 -3.21 1.19 0.00 0.51 0.00 0.00 43.02 41.61 108m s PHE 43 CO 0.49 -0.85 1.95 -0.44 0.70 0.00 0.00 175.22 177.08 108m h ASP 44 N 8.67 0.00 0.91 1.36 3.32 -1.83 -0.86 116.42 128.00 108m h ASP 44 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 108m h ASP 44 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 108m h ASP 44 CO 0.87 0.18 -0.36 -2.11 -1.72 0.00 0.00 179.24 176.10 108m n ARG 45 N -3.54 0.16 -0.01 3.56 1.85 -1.26 -4.25 116.66 113.17 108m n ARG 45 Ca -0.01 0.07 0.02 0.00 -1.00 0.00 0.00 57.85 56.94 108m n ARG 45 Cb 0.33 -1.63 -0.07 0.00 -1.05 0.00 0.00 32.46 30.05 108m n ARG 45 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 108m n PHE 46 N -1.87 0.00 -0.48 2.89 3.72 -0.96 -4.75 117.46 116.02 108m n PHE 46 Ca 0.05 0.00 0.40 0.00 -0.05 0.00 0.00 57.45 57.85 108m n PHE 46 Cb 0.39 -0.25 0.66 0.00 -0.94 0.00 0.00 39.48 39.34 108m n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 108m n LYS 47 N -1.93 -0.03 0.00 -1.08 5.02 -0.37 -0.03 118.16 119.74 108m n LYS 47 Ca -0.05 1.18 0.09 0.00 -2.02 0.00 0.00 58.31 57.51 108m n LYS 47 Cb 0.37 -2.36 0.48 0.00 -0.02 0.00 0.00 35.03 33.50 108m n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 108m n HIS 48 N -4.52 0.00 -2.63 2.13 1.44 -1.26 -4.67 115.22 105.71 108m n HIS 48 Ca 0.39 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.68 108m n HIS 48 Cb 1.55 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 31.35 108m n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 108m s LEU 49 N -2.55 3.57 -0.16 2.39 1.43 0.96 -4.92 118.68 119.39 108m s LEU 49 Ca 0.18 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.06 108m s LEU 49 Cb 0.13 -3.10 -0.22 0.00 0.03 0.00 0.00 46.19 43.02 108m s LEU 49 CO 0.28 -1.44 0.51 0.11 0.23 0.00 0.00 176.35 176.05 108m h LYS 50 N 9.50 0.00 -6.19 1.70 1.57 -1.88 -3.48 116.57 117.80 108m h LYS 50 Ca -0.25 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.03 108m h LYS 50 Cb 1.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 108m h LYS 50 CO 1.17 0.94 -0.34 0.95 -0.57 0.00 0.00 179.45 181.60 108m s THR 51 N -2.25 2.51 0.07 -0.16 -4.23 -1.26 -5.00 115.64 105.32 108m s THR 51 Ca -0.22 -1.32 0.18 0.00 -1.18 0.00 0.00 61.69 59.15 108m s THR 51 Cb 0.01 -2.83 0.13 0.00 1.34 0.00 0.00 72.50 71.14 108m s THR 51 CO 0.62 0.00 1.66 -0.08 -0.54 0.00 0.00 174.62 176.28 108m h GLU 52 N 0.91 0.00 0.00 3.99 4.81 -1.99 -2.05 114.58 120.25 108m h GLU 52 Ca -0.40 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.71 108m h GLU 52 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 108m h GLU 52 CO 0.56 0.39 -0.55 0.00 -0.73 0.00 0.00 179.01 178.68 108m h ALA 53 N 1.61 1.04 -0.16 2.92 0.00 -1.98 0.44 119.26 123.13 108m h ALA 53 Ca -0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 108m h ALA 53 Cb 1.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 108m h ALA 53 CO 0.05 0.69 -0.22 0.93 0.00 0.00 0.00 179.25 180.70 108m h GLU 54 N 0.00 0.43 0.33 0.00 5.08 -1.78 -2.58 114.58 116.06 108m h GLU 54 Ca -0.01 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 108m h GLU 54 Cb 1.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.28 108m h GLU 54 CO 0.07 0.83 -0.16 0.52 -1.00 0.00 0.00 179.01 179.28 108m h MET 55 N 0.07 -0.43 -0.75 2.33 2.86 -1.15 -1.99 114.93 115.85 108m h MET 55 Ca 0.02 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 108m h MET 55 Cb 0.78 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 108m h MET 55 CO 0.05 -0.29 0.50 0.87 1.06 0.00 0.00 176.91 179.10 108m h LYS 56 N -0.45 0.49 0.00 1.72 1.57 -0.97 -1.29 116.57 117.64 108m h LYS 56 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 108m h LYS 56 Cb 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 108m h LYS 56 CO 0.08 0.32 -0.39 0.00 -0.57 0.00 0.00 179.45 178.89 108m h ALA 57 N 1.64 0.78 -1.88 3.86 0.00 -1.26 -3.46 119.26 118.95 108m h ALA 57 Ca 0.36 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.70 108m h ALA 57 Cb 0.72 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 108m h ALA 57 CO -0.13 0.00 1.31 0.45 0.00 0.00 0.00 179.25 180.88 108m s SER 58 N -5.34 5.83 0.46 0.00 0.15 -0.49 -4.87 113.70 109.44 108m s SER 58 Ca 0.05 1.38 0.21 0.00 0.70 0.00 0.00 55.95 58.30 108m s SER 58 Cb 0.09 -2.52 1.12 0.00 -1.71 0.00 0.00 66.02 63.00 108m s SER 58 CO 0.70 -1.75 1.97 -0.08 1.20 0.00 0.00 173.24 175.28 108m h GLU 59 N 13.19 0.00 -0.14 5.44 4.57 -1.88 -2.88 114.58 132.87 108m h GLU 59 Ca -0.35 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.67 108m h GLU 59 Cb 1.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 108m h GLU 59 CO 1.02 0.21 -0.59 -0.44 -1.18 0.00 0.00 179.01 178.03 108m h ASP 60 N 0.00 0.54 0.21 1.04 5.19 -1.94 -2.76 116.42 118.70 108m h ASP 60 Ca -0.00 -0.30 -0.18 0.00 -0.62 0.00 0.00 57.03 55.93 108m h ASP 60 Cb 0.47 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 108m h ASP 60 CO 0.03 1.01 -0.68 0.25 -3.12 0.00 0.00 179.24 176.73 108m h LEU 61 N 0.36 0.50 -0.19 1.55 6.46 -1.82 -2.95 115.31 119.21 108m h LEU 61 Ca -0.00 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 108m h LEU 61 Cb 1.14 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 108m h LEU 61 CO 0.11 1.04 0.05 0.50 -0.62 0.00 0.00 178.44 179.51 108m h LYS 62 N 0.30 0.30 -0.74 1.25 3.64 -1.49 -0.60 116.57 119.24 108m h LYS 62 Ca -0.02 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 108m h LYS 62 Cb 1.24 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 108m h LYS 62 CO 0.12 0.43 0.37 0.87 -2.27 0.00 0.00 179.45 178.97 108m h LYS 63 N 0.12 1.05 -0.10 1.90 1.57 -1.53 -1.73 116.57 117.85 108m h LYS 63 Ca 0.06 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 108m h LYS 63 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 108m h LYS 63 CO 0.00 0.80 -0.40 1.25 -0.57 0.00 0.00 179.45 180.53 108m h HIS 64 N 1.05 0.24 -0.08 -1.35 2.76 -1.36 -1.15 115.15 115.27 108m h HIS 64 Ca 0.26 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 108m h HIS 64 Cb 0.09 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 108m h HIS 64 CO 0.01 0.58 -0.32 0.78 -1.30 0.00 0.00 177.93 177.67 108m h GLY 65 N 1.20 0.15 0.85 5.26 0.00 -0.36 -1.66 103.07 108.51 108m h GLY 65 Ca 0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 108m h GLY 65 CO 0.06 0.11 -0.57 -2.08 0.00 0.00 0.00 176.54 174.07 108m h VAL 66 N 0.13 1.39 -0.69 4.60 2.07 -0.59 -2.33 116.25 120.83 108m h VAL 66 Ca 0.02 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.59 108m h VAL 66 Cb 0.64 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 108m h VAL 66 CO 0.05 0.58 0.46 0.74 0.02 0.00 0.00 177.57 179.41 108m h THR 67 N 0.03 1.18 -0.20 2.57 2.02 -1.13 -1.54 112.91 115.84 108m h THR 67 Ca -0.06 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 108m h THR 67 Cb 1.24 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 108m h THR 67 CO 0.11 0.17 -0.07 0.15 0.37 0.00 0.00 175.52 176.26 108m h PHE 68 N 0.94 0.45 -0.18 3.16 3.57 -1.37 -2.70 116.94 120.80 108m h PHE 68 Ca 0.25 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 108m h PHE 68 Cb -0.10 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 108m h PHE 68 CO -0.02 0.66 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.34 108m h LEU 69 N 0.10 0.37 -0.58 0.59 3.38 -1.35 -1.98 115.31 115.84 108m h LEU 69 Ca 0.05 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 108m h LEU 69 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 108m h LEU 69 CO 0.02 0.66 -0.36 0.74 0.09 0.00 0.00 178.44 179.60 108m h THR 70 N 0.31 1.28 -0.37 0.22 2.02 -1.32 0.34 112.91 115.40 108m h THR 70 Ca 0.04 -1.52 -0.14 0.00 0.77 0.00 0.00 66.41 65.56 108m h THR 70 Cb 0.70 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 108m h THR 70 CO 0.05 0.49 -0.32 0.00 0.37 0.00 0.00 175.52 176.11 108m h ALA 71 N 0.98 0.54 -0.46 6.16 0.00 -1.28 -1.69 119.26 123.52 108m h ALA 71 Ca 0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 108m h ALA 71 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 108m h ALA 71 CO 0.08 0.60 -0.17 1.25 0.00 0.00 0.00 179.25 181.01 108m h LEU 72 N 0.69 0.94 -0.76 0.00 5.85 -1.31 -2.04 115.31 118.69 108m h LEU 72 Ca 0.07 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.41 108m h LEU 72 Cb 0.91 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 108m h LEU 72 CO 0.08 1.12 0.49 1.23 -0.34 0.00 0.00 178.44 181.02 108m h GLY 73 N 0.77 1.07 1.19 3.75 0.00 -0.88 0.34 103.07 109.31 108m h GLY 73 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 108m h GLY 73 CO 0.06 0.36 0.50 0.00 0.00 0.00 0.00 176.54 177.46 108m h ALA 74 N 1.29 1.37 -0.01 3.60 0.00 -1.01 -1.71 119.26 122.79 108m h ALA 74 Ca 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 108m h ALA 74 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 108m h ALA 74 CO -0.08 0.56 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 108m h ILE 75 N 1.10 1.39 -0.93 0.00 2.04 -0.63 -3.22 117.51 117.25 108m h ILE 75 Ca 0.29 -1.15 0.08 0.00 1.00 0.00 0.00 64.86 65.08 108m h ILE 75 Cb -0.07 2.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 108m h ILE 75 CO -0.06 0.30 0.59 -0.07 0.00 0.00 0.00 178.15 178.91 108m h LEU 76 N -0.46 0.91 -0.47 1.44 3.38 -0.67 -1.09 115.31 118.35 108m h LEU 76 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 108m h LEU 76 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 108m h LEU 76 CO 0.00 0.56 0.00 0.29 0.09 0.00 0.00 178.44 179.38 108m n LYS 77 N -4.59 0.10 0.00 1.13 5.02 -0.67 -1.54 118.16 117.61 108m n LYS 77 Ca 0.15 0.39 0.14 0.00 -2.02 0.00 0.00 58.31 56.97 108m n LYS 77 Cb 0.22 -1.72 0.62 0.00 -0.02 0.00 0.00 35.03 34.13 108m n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 108m n LYS 78 N -1.91 0.05 -4.04 1.97 4.76 -0.41 -4.94 118.16 113.63 108m n LYS 78 Ca 0.02 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.19 108m n LYS 78 Cb 0.16 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 108m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 108m n LYS 79 N -1.48 -2.30 0.00 1.97 5.02 -0.59 -1.41 118.16 119.36 108m n LYS 79 Ca 0.08 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 108m n LYS 79 Cb 0.32 -4.11 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 108m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 108m n GLY 80 N -2.14 2.85 2.68 0.72 0.00 -1.26 -4.94 105.19 103.10 108m n GLY 80 Ca -0.29 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 108m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 108m n HIS 81 N 0.00 2.95 -0.05 1.61 8.25 -0.50 -4.56 115.22 122.92 108m n HIS 81 Ca 0.00 -2.88 0.02 0.00 -0.26 0.00 0.00 57.72 54.60 108m n HIS 81 Cb 0.00 -2.16 0.05 0.00 1.12 0.00 0.00 29.99 29.01 108m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 108m n HIS 82 N 3.98 0.15 -0.27 4.41 1.44 -1.26 -4.77 115.22 118.91 108m n HIS 82 Ca 0.52 -0.48 0.08 0.00 -2.01 0.00 0.00 57.72 55.84 108m n HIS 82 Cb 0.33 -0.04 0.22 0.00 0.12 0.00 0.00 29.99 30.62 108m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 108m h GLU 83 N 0.71 0.29 -0.22 -1.40 9.09 -1.99 -0.79 114.58 120.26 108m h GLU 83 Ca 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 108m h GLU 83 Cb 0.56 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 108m h GLU 83 CO 0.00 0.19 0.10 0.00 0.05 0.00 0.00 179.01 179.35 108m h ALA 84 N 1.66 0.29 0.00 1.06 0.00 -1.99 -2.58 119.26 117.70 108m h ALA 84 Ca 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 108m h ALA 84 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 108m h ALA 84 CO -0.54 -0.15 -0.24 0.93 0.00 0.00 0.00 179.25 179.26 108m h GLU 85 N 0.23 0.00 -0.01 0.00 3.07 -1.75 -2.97 114.58 113.14 108m h GLU 85 Ca 0.08 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.77 108m h GLU 85 Cb 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 108m h GLU 85 CO -0.01 0.24 -0.74 1.25 -1.40 0.00 0.00 179.01 178.35 108m h LEU 86 N 0.00 0.11 0.40 1.33 5.85 -0.79 -3.33 115.31 118.88 108m h LEU 86 Ca -0.00 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 108m h LEU 86 Cb 0.45 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 108m h LEU 86 CO 0.03 0.81 -0.28 0.11 -0.34 0.00 0.00 178.44 178.78 108m h LYS 87 N 0.06 -0.62 -0.63 1.25 1.57 -1.31 0.46 116.57 117.35 108m h LYS 87 Ca -0.02 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 108m h LYS 87 Cb 1.31 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.73 108m h LYS 87 CO 0.10 -0.41 0.43 -1.00 -0.57 0.00 0.00 179.45 178.00 108m h PRO 88 N -0.65 0.25 -0.25 3.15 0.13 -1.73 -1.45 132.00 131.45 108m h PRO 88 Ca -0.05 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 108m h PRO 88 Cb 0.53 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 108m h PRO 88 CO 0.04 0.17 -0.28 1.25 -0.23 0.00 0.00 178.00 178.94 108m h LEU 89 N 0.26 0.67 -0.70 1.56 5.85 -1.63 -2.60 115.31 118.72 108m h LEU 89 Ca 0.30 -0.49 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 108m h LEU 89 Cb 0.83 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 108m h LEU 89 CO -0.07 1.02 -0.34 0.00 -0.34 0.00 0.00 178.44 178.72 108m h ALA 90 N 0.67 0.88 -0.48 1.25 0.00 -0.14 -2.35 119.26 119.08 108m h ALA 90 Ca 0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 108m h ALA 90 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 108m h ALA 90 CO 0.07 0.63 -0.12 0.37 0.00 0.00 0.00 179.25 180.20 108m h GLN 91 N 0.53 0.94 -0.13 0.00 4.15 -1.24 -1.39 115.11 117.96 108m h GLN 91 Ca 0.06 -0.36 -0.22 0.00 0.77 0.00 0.00 58.65 58.90 108m h GLN 91 Cb 0.84 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.48 108m h GLN 91 CO 0.07 1.02 -0.79 0.66 -1.93 0.00 0.00 178.83 177.86 108m h SER 92 N 0.79 0.87 0.80 -0.69 4.64 -1.42 -0.82 113.55 117.72 108m h SER 92 Ca 0.12 -0.58 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 108m h SER 92 Cb 0.68 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 108m h SER 92 CO 0.05 1.38 -0.63 0.45 -0.87 0.00 0.00 176.83 177.21 108m h HIS 93 N 0.49 0.00 0.00 4.77 3.86 -1.40 0.07 115.15 122.94 108m h HIS 93 Ca -0.06 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 108m h HIS 93 Cb 1.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.88 108m h HIS 93 CO 0.08 0.63 -0.21 0.00 0.86 0.00 0.00 177.93 179.29 108m h ALA 94 N 1.37 0.02 0.02 2.45 0.00 -1.27 0.32 119.26 122.18 108m h ALA 94 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 108m h ALA 94 Cb 1.19 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.14 108m h ALA 94 CO 0.08 0.16 -0.01 1.15 0.00 0.00 0.00 179.25 180.63 108m h THR 95 N -1.00 1.48 0.00 0.00 2.02 -1.26 -3.07 112.91 111.08 108m h THR 95 Ca -0.03 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 108m h THR 95 Cb 0.44 2.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 108m h THR 95 CO -0.02 0.42 -0.21 0.50 0.37 0.00 0.00 175.52 176.59 108m h LYS 96 N -0.77 0.00 0.00 6.66 3.64 -1.42 -3.41 116.57 121.28 108m h LYS 96 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 108m h LYS 96 Cb 0.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 108m h LYS 96 CO 0.00 0.14 -0.59 0.45 -2.27 0.00 0.00 179.45 177.18 108m h HIS 97 N -1.00 0.00 -5.88 1.91 -0.00 -1.17 -3.50 115.15 105.52 108m h HIS 97 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.17 108m h HIS 97 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 108m h HIS 97 CO -0.03 0.19 -0.50 1.63 -0.00 0.00 0.00 177.93 179.22 108m n LYS 98 N -2.98 -1.58 -3.73 2.45 4.01 0.77 -4.98 118.16 112.12 108m n LYS 98 Ca 0.00 1.35 -0.37 0.00 -0.51 0.00 0.00 58.31 58.78 108m n LYS 98 Cb 0.62 -4.39 -0.12 0.00 -0.51 0.00 0.00 35.03 30.63 108m n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 108m s ILE 99 N -2.82 4.27 0.60 -0.18 -1.09 0.72 -4.99 121.20 117.71 108m s ILE 99 Ca 0.07 -0.44 -0.18 0.00 -2.23 0.00 0.00 60.65 57.86 108m s ILE 99 Cb -0.01 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 108m s ILE 99 CO 0.81 0.16 1.17 -2.16 -1.23 0.00 0.00 174.94 173.68 108m s PRO 100 N 1.57 2.98 0.34 2.79 0.04 -1.26 -4.78 135.00 136.68 108m s PRO 100 Ca 0.04 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.86 108m s PRO 100 Cb -0.16 -1.95 0.83 0.00 0.04 0.00 0.00 34.50 33.26 108m s PRO 100 CO 0.04 -1.17 1.82 0.82 0.04 0.00 0.00 177.00 178.56 108m h ILE 101 N 0.72 0.75 -0.96 0.56 1.08 -1.93 -0.80 117.51 116.93 108m h ILE 101 Ca -0.49 -0.23 0.18 0.00 -0.39 0.00 0.00 64.86 63.92 108m h ILE 101 Cb 1.28 0.01 -0.10 0.00 -3.07 0.00 0.00 36.82 34.94 108m h ILE 101 CO 0.55 0.12 0.55 0.50 -0.69 0.00 0.00 178.15 179.19 108m h LYS 102 N 0.68 0.70 0.00 2.37 1.63 -1.91 0.12 116.57 120.16 108m h LYS 102 Ca 0.51 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.20 108m h LYS 102 Cb 0.90 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 108m h LYS 102 CO -0.27 0.46 -0.32 1.88 -3.45 0.00 0.00 179.45 177.75 108m h TYR 103 N 0.72 0.00 -0.01 1.91 -1.99 -1.50 -1.66 116.97 114.43 108m h TYR 103 Ca 0.54 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.14 108m h TYR 103 Cb 0.82 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.54 108m h TYR 103 CO -0.03 0.32 -0.63 -0.07 -0.00 0.00 0.00 178.16 177.75 108m h LEU 104 N 0.00 0.03 -0.10 3.88 3.38 -0.75 -2.28 115.31 119.47 108m h LEU 104 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 108m h LEU 104 Cb 0.64 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 108m h LEU 104 CO 0.04 0.65 -0.10 -0.33 0.09 0.00 0.00 178.44 178.79 108m h GLU 105 N 0.02 0.24 -0.88 1.13 5.08 -0.68 -1.94 114.58 117.56 108m h GLU 105 Ca -0.01 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 108m h GLU 105 Cb 1.12 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 108m h GLU 105 CO 0.08 0.67 0.54 0.74 -1.00 0.00 0.00 179.01 180.04 108m h PHE 106 N -0.17 0.99 -0.00 4.33 0.04 -1.27 -1.17 116.94 119.69 108m h PHE 106 Ca 0.02 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 108m h PHE 106 Cb 0.62 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 108m h PHE 106 CO 0.09 0.47 -0.74 0.97 -0.60 0.00 0.00 178.31 178.50 108m h ILE 107 N 0.95 1.53 -0.80 -0.55 2.10 -1.38 -2.26 117.51 117.11 108m h ILE 107 Ca 0.40 -2.53 -0.02 0.00 1.08 0.00 0.00 64.86 63.79 108m h ILE 107 Cb 0.25 2.37 -0.04 0.00 -1.09 0.00 0.00 36.82 38.31 108m h ILE 107 CO -0.20 0.72 0.44 0.28 -1.08 0.00 0.00 178.15 178.31 108m h SER 108 N 0.00 0.99 -0.38 2.19 0.02 -0.50 -0.24 113.55 115.63 108m h SER 108 Ca -0.01 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 108m h SER 108 Cb 1.31 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 108m h SER 108 CO 0.10 0.79 0.03 -0.08 -1.14 0.00 0.00 176.83 176.53 108m h GLU 109 N 1.11 0.65 -0.60 3.45 4.81 -1.04 -1.91 114.58 121.04 108m h GLU 109 Ca 0.28 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 108m h GLU 109 Cb 0.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 108m h GLU 109 CO -0.05 0.72 0.23 0.00 -0.73 0.00 0.00 179.01 179.19 108m h ALA 110 N 0.90 0.78 0.06 2.92 0.00 -0.99 -0.97 119.26 121.95 108m h ALA 110 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 108m h ALA 110 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 108m h ALA 110 CO 0.01 0.41 -0.10 0.82 0.00 0.00 0.00 179.25 180.39 108m h ILE 111 N 0.84 0.77 -0.93 0.00 2.04 -0.72 -1.32 117.51 118.18 108m h ILE 111 Ca 0.20 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 108m h ILE 111 Cb 0.22 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 108m h ILE 111 CO -0.01 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.14 108m h ILE 112 N -0.20 1.14 -0.07 -0.67 1.08 -1.14 -1.87 117.51 115.77 108m h ILE 112 Ca 0.02 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 108m h ILE 112 Cb 0.21 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 33.86 108m h ILE 112 CO -0.05 0.21 0.03 -0.74 -0.69 0.00 0.00 178.15 176.90 108m h HIS 113 N 1.14 0.11 -0.18 1.37 2.76 -0.57 -2.10 115.15 117.68 108m h HIS 113 Ca 0.38 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 108m h HIS 113 Cb 0.06 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 108m h HIS 113 CO -0.00 0.24 0.07 0.28 -1.30 0.00 0.00 177.93 177.22 108m h VAL 114 N -0.04 1.16 -0.65 5.26 2.07 -1.03 -1.94 116.25 121.08 108m h VAL 114 Ca 0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.08 108m h VAL 114 Cb 0.17 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 108m h VAL 114 CO -0.00 0.15 0.42 -0.07 0.02 0.00 0.00 177.57 178.09 108m h LEU 115 N 0.14 0.75 -0.80 2.57 3.38 -1.36 -1.26 115.31 118.74 108m h LEU 115 Ca 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 108m h LEU 115 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 108m h LEU 115 CO -0.01 0.55 0.22 -0.74 0.09 0.00 0.00 178.44 178.55 108m h HIS 116 N 0.88 1.16 -0.02 1.13 2.76 -1.17 -0.06 115.15 119.83 108m h HIS 116 Ca 0.24 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 108m h HIS 116 Cb -0.09 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.54 108m h HIS 116 CO 0.00 0.92 -0.03 0.77 -1.30 0.00 0.00 177.93 178.29 108m h SER 117 N 1.07 0.05 1.73 3.26 0.02 -0.52 -3.30 113.55 115.86 108m h SER 117 Ca 0.23 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 108m h SER 117 Cb 0.31 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 108m h SER 117 CO -0.01 0.60 -0.28 0.03 -1.14 0.00 0.00 176.83 176.03 108m h ARG 118 N -0.49 0.00 -1.75 3.45 3.08 -1.30 -3.40 114.38 113.98 108m h ARG 118 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 108m h ARG 118 Cb 0.59 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.23 108m h ARG 118 CO 0.01 0.15 -1.03 0.72 -1.07 0.00 0.00 179.97 178.75 108m n HIS 119 N -3.09 1.63 -0.22 3.04 8.25 -0.04 -4.94 115.22 119.85 108m n HIS 119 Ca 0.03 -3.51 0.02 0.00 -0.26 0.00 0.00 57.72 53.99 108m n HIS 119 Cb 0.60 -0.38 0.13 0.00 1.12 0.00 0.00 29.99 31.46 108m n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 108m h PRO 120 N 2.94 0.32 0.00 -0.41 0.11 -1.73 -1.21 132.00 132.02 108m h PRO 120 Ca 0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 108m h PRO 120 Cb 0.92 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 108m h PRO 120 CO 0.61 0.21 -0.06 0.78 -0.21 0.00 0.00 178.00 179.33 108m h GLY 121 N 0.33 0.00 -0.83 -0.55 0.00 -1.92 -2.34 103.07 97.76 108m h GLY 121 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 108m h GLY 121 CO -0.39 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.85 108m n ASN 122 N -3.52 2.82 -3.17 0.19 4.13 -0.75 -4.73 115.26 110.23 108m n ASN 122 Ca -0.02 -2.39 -0.19 0.00 1.68 0.00 0.00 54.58 53.66 108m n ASN 122 Cb 0.18 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 108m n ASN 122 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 108m n PHE 123 N -0.27 0.50 -1.28 3.10 7.35 -0.53 -4.65 117.46 121.68 108m n PHE 123 Ca 0.11 -3.83 -0.04 0.00 -0.76 0.00 0.00 57.45 52.93 108m n PHE 123 Cb 0.52 -0.42 0.03 0.00 0.35 0.00 0.00 39.48 39.95 108m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 108m n GLY 124 N 0.26 -0.93 0.25 7.13 0.00 -1.25 -4.67 105.19 105.97 108m n GLY 124 Ca 0.25 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.58 108m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 108m h ALA 125 N -1.77 0.84 -0.31 4.61 0.00 -1.98 -0.29 119.26 120.36 108m h ALA 125 Ca -0.06 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 108m h ALA 125 Cb 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 108m h ALA 125 CO 0.04 -0.22 -0.15 -0.44 0.00 0.00 0.00 179.25 178.48 108m h ASP 126 N 0.38 0.66 -0.75 0.00 3.32 -1.99 0.08 116.42 118.13 108m h ASP 126 Ca 0.34 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 108m h ASP 126 Cb 0.47 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 108m h ASP 126 CO -0.36 0.92 0.39 0.00 -1.72 0.00 0.00 179.24 178.47 108m h ALA 127 N 0.76 0.97 -0.38 3.45 0.00 -1.79 -0.46 119.26 121.81 108m h ALA 127 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 108m h ALA 127 Cb 0.67 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 108m h ALA 127 CO 0.04 0.50 -0.13 0.37 0.00 0.00 0.00 179.25 180.04 108m h GLN 128 N 1.05 0.68 -0.40 0.00 4.15 -0.96 -1.41 115.11 118.22 108m h GLN 128 Ca 0.26 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 108m h GLN 128 Cb 0.07 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 108m h GLN 128 CO -0.04 0.78 0.17 0.78 -1.93 0.00 0.00 178.83 178.60 108m h GLY 129 N 0.97 0.63 0.90 2.39 0.00 -0.19 -1.12 103.07 106.65 108m h GLY 129 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.12 108m h GLY 129 CO 0.04 0.31 0.01 0.00 0.00 0.00 0.00 176.54 176.89 108m h ALA 130 N 1.02 0.06 -0.91 3.60 0.00 -0.86 -0.99 119.26 121.19 108m h ALA 130 Ca 0.13 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 108m h ALA 130 Cb 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 108m h ALA 130 CO -0.01 -0.47 0.59 1.98 0.00 0.00 0.00 179.25 181.33 108m h MET 131 N 0.03 1.07 -0.35 0.00 -1.53 -1.14 -0.03 114.93 112.99 108m h MET 131 Ca 0.03 -0.06 -0.07 0.00 -3.44 0.00 0.00 59.70 56.16 108m h MET 131 Cb 0.03 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.83 108m h MET 131 CO -0.05 0.71 -0.04 -0.97 0.14 0.00 0.00 176.91 176.69 108m h ASN 132 N 1.10 0.64 -0.65 1.39 -1.24 -0.94 -1.45 115.58 114.43 108m h ASN 132 Ca 0.38 -0.34 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 108m h ASN 132 Cb 0.09 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 108m h ASN 132 CO -0.15 0.82 0.36 0.50 -1.29 0.00 0.00 177.43 177.68 108m h LYS 133 N 0.44 0.93 -0.09 6.67 3.64 -0.73 0.26 116.57 127.68 108m h LYS 133 Ca 0.09 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 108m h LYS 133 Cb 0.52 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 108m h LYS 133 CO 0.03 0.69 -0.03 0.00 -2.27 0.00 0.00 179.45 177.86 108m h ALA 134 N 1.46 0.13 -0.15 5.00 0.00 -0.73 -1.80 119.26 123.17 108m h ALA 134 Ca 0.24 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 108m h ALA 134 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 108m h ALA 134 CO -0.04 -0.13 -0.33 -0.07 0.00 0.00 0.00 179.25 178.68 108m h LEU 135 N -0.16 0.30 -0.30 0.00 3.38 -1.10 -1.34 115.31 116.10 108m h LEU 135 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 108m h LEU 135 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 108m h LEU 135 CO 0.01 0.62 0.13 -0.33 0.09 0.00 0.00 178.44 178.96 108m h GLU 136 N 0.26 0.44 -0.30 1.13 5.08 -0.91 -0.58 114.58 119.70 108m h GLU 136 Ca 0.03 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 108m h GLU 136 Cb 0.71 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 108m h GLU 136 CO 0.05 0.44 -0.10 1.25 -1.00 0.00 0.00 179.01 179.65 108m h LEU 137 N 0.34 -0.36 -0.10 1.33 5.85 -0.86 0.20 115.31 121.71 108m h LEU 137 Ca 0.10 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.96 108m h LEU 137 Cb 0.16 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 108m h LEU 137 CO -0.01 -0.13 -0.18 0.15 -0.34 0.00 0.00 178.44 177.93 108m h PHE 138 N -0.04 -0.47 -0.55 1.25 3.57 -1.11 -1.10 116.94 118.48 108m h PHE 138 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 108m h PHE 138 Cb 0.27 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 108m h PHE 138 CO -0.31 -0.26 0.31 0.00 -2.23 0.00 0.00 178.31 175.82 108m h ARG 139 N -0.24 0.76 -0.79 1.11 3.08 -0.44 0.71 114.38 118.56 108m h ARG 139 Ca 0.09 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 108m h ARG 139 Cb 0.37 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 108m h ARG 139 CO -0.25 0.58 0.45 -0.22 -1.07 0.00 0.00 179.97 179.46 108m h LYS 140 N 0.74 1.10 -0.22 0.04 3.11 -0.43 0.16 116.57 121.05 108m h LYS 140 Ca 0.19 -0.12 -0.14 0.00 -2.81 0.00 0.00 60.65 57.77 108m h LYS 140 Cb 0.04 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.05 108m h LYS 140 CO -0.03 0.80 -0.43 -0.44 -2.81 0.00 0.00 179.45 176.54 108m h ASP 141 N 1.09 0.76 -0.61 4.20 3.32 -0.84 -1.72 116.42 122.63 108m h ASP 141 Ca 0.28 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.79 108m h ASP 141 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 108m h ASP 141 CO -0.05 1.16 0.39 0.40 -1.72 0.00 0.00 179.24 179.42 108m h ILE 142 N 0.39 1.17 0.43 0.35 1.08 -0.61 -0.92 117.51 119.40 108m h ILE 142 Ca 0.01 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 108m h ILE 142 Cb 1.03 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 108m h ILE 142 CO 0.10 0.17 -0.26 0.00 -0.69 0.00 0.00 178.15 177.47 108m h ALA 143 N 1.21 -0.65 -0.97 1.87 0.00 -0.63 0.24 119.26 120.32 108m h ALA 143 Ca 0.22 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.20 108m h ALA 143 Cb -0.06 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 108m h ALA 143 CO -0.05 -0.88 0.61 0.00 0.00 0.00 0.00 179.25 178.94 108m h ALA 144 N -0.12 1.88 -0.33 0.00 0.00 -1.08 -0.91 119.26 118.71 108m h ALA 144 Ca -0.05 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 108m h ALA 144 Cb 0.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 108m h ALA 144 CO 0.06 -0.22 -0.47 0.87 0.00 0.00 0.00 179.25 179.48 108m h LYS 145 N 0.63 0.90 -0.57 0.00 6.56 -0.36 -3.05 116.57 120.69 108m h LYS 145 Ca 0.54 -0.53 0.06 0.00 -1.06 0.00 0.00 60.65 59.66 108m h LYS 145 Cb 1.01 0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.66 108m h LYS 145 CO -0.30 1.17 0.27 1.88 -2.06 0.00 0.00 179.45 180.41 108m h TYR 146 N 0.69 0.49 -0.65 -1.35 -1.99 0.82 -2.27 116.97 112.71 108m h TYR 146 Ca 0.03 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.87 108m h TYR 146 Cb 1.08 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 39.60 108m h TYR 146 CO 0.07 0.21 0.30 0.87 -0.00 0.00 0.00 178.16 179.61 108m h LYS 147 N 0.51 0.51 0.00 4.88 1.79 -1.33 -1.35 116.57 121.58 108m h LYS 147 Ca 0.26 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 108m h LYS 147 Cb 0.22 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 108m h LYS 147 CO -0.21 0.34 -0.27 0.93 -1.08 0.00 0.00 179.45 179.16 108m h GLU 148 N 0.53 0.00 -0.02 3.15 5.08 -1.32 -2.18 114.58 119.82 108m h GLU 148 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 108m h GLU 148 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 108m h GLU 148 CO -0.27 0.27 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 108m n LEU 149 N -3.64 1.36 0.00 1.33 4.77 -0.60 -4.93 117.00 115.29 108m n LEU 149 Ca -0.01 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 108m n LEU 149 Cb 0.39 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 108m n LEU 149 CO 0.34 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 108m n GLY 150 N 1.16 0.51 0.62 -0.72 0.00 -0.80 -4.96 105.19 101.00 108m n GLY 150 Ca 0.19 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 108m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 108m n TYR 151 N -3.07 0.00 -3.98 1.61 9.36 -0.64 -5.01 117.16 115.43 108m n TYR 151 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 108m n TYR 151 Cb 0.13 -0.15 -0.02 0.00 -0.63 0.00 0.00 39.34 38.67 108m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 108m n GLN 152 N -3.48 -2.35 0.00 2.98 -0.06 -1.11 -4.88 117.38 108.49 108m n GLN 152 Ca -0.04 0.33 0.09 0.00 -2.00 0.00 0.00 57.00 55.38 108m n GLN 152 Cb 0.15 -4.14 0.56 0.00 -4.06 0.00 0.00 30.24 22.75 108m n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27