#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 105m s LEU 2 N 0.00 4.32 0.33 1.34 2.01 -1.26 -5.10 118.68 120.32 105m s LEU 2 Ca 0.00 0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.29 105m s LEU 2 Cb 0.00 -2.91 -0.03 0.00 0.01 0.00 0.00 46.19 43.25 105m s LEU 2 CO 0.00 -0.01 0.53 -0.94 1.01 0.00 0.00 176.35 176.94 105m s SER 3 N -3.55 6.30 0.25 2.29 1.04 -1.26 -4.92 113.70 113.86 105m s SER 3 Ca 0.35 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 57.17 105m s SER 3 Cb -0.10 -2.02 0.50 0.00 0.10 0.00 0.00 66.02 64.50 105m s SER 3 CO 0.29 -0.27 1.71 -0.33 0.98 0.00 0.00 173.24 175.62 105m h GLU 4 N 0.84 0.38 -0.30 4.02 4.39 -1.99 0.34 114.58 122.26 105m h GLU 4 Ca -0.50 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.15 105m h GLU 4 Cb 1.22 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 105m h GLU 4 CO 0.62 0.25 0.07 0.78 -1.16 0.00 0.00 179.01 179.57 105m h GLY 5 N 0.39 0.46 1.22 -3.84 0.00 -1.99 -0.61 103.07 98.70 105m h GLY 5 Ca 0.44 -0.23 -0.24 0.00 0.00 0.00 0.00 47.33 47.30 105m h GLY 5 CO -0.45 0.22 -0.88 0.83 0.00 0.00 0.00 176.54 176.26 105m h GLU 6 N 0.42 0.74 -0.15 4.80 5.08 -1.38 -2.70 114.58 121.40 105m h GLU 6 Ca 0.10 -0.67 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 105m h GLU 6 Cb 0.18 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 105m h GLU 6 CO -0.00 1.27 -0.16 -1.49 -1.00 0.00 0.00 179.01 177.63 105m h TRP 7 N 0.48 0.25 -0.34 4.33 -0.00 -0.64 -1.81 115.95 118.22 105m h TRP 7 Ca -0.08 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.89 58.70 105m h TRP 7 Cb 1.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.59 105m h TRP 7 CO 0.09 0.39 -0.10 0.37 -0.00 0.00 0.00 178.44 179.19 105m h GLN 8 N 0.22 0.66 -0.49 0.49 4.15 -1.05 -1.15 115.11 117.95 105m h GLN 8 Ca 0.04 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 105m h GLN 8 Cb 0.42 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 105m h GLN 8 CO 0.03 0.84 0.18 -0.07 -1.93 0.00 0.00 178.83 177.88 105m h LEU 9 N 0.44 0.65 0.11 -2.39 3.38 -1.11 -0.48 115.31 115.91 105m h LEU 9 Ca 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 105m h LEU 9 Cb 0.60 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 105m h LEU 9 CO 0.04 0.60 -0.05 0.58 0.09 0.00 0.00 178.44 179.69 105m h VAL 10 N 0.70 1.07 0.00 1.22 2.07 -1.07 -2.48 116.25 117.76 105m h VAL 10 Ca 0.17 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 105m h VAL 10 Cb 0.17 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 105m h VAL 10 CO -0.01 0.17 -0.27 -0.07 0.02 0.00 0.00 177.57 177.40 105m h LEU 11 N -0.47 0.00 -0.38 2.57 3.38 -1.05 -1.89 115.31 117.46 105m h LEU 11 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 105m h LEU 11 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 105m h LEU 11 CO 0.02 0.27 -0.22 -0.74 0.09 0.00 0.00 178.44 177.87 105m h HIS 12 N 0.00 0.96 0.00 1.13 2.76 -1.02 -2.72 115.15 116.26 105m h HIS 12 Ca -0.00 -0.25 -0.05 0.00 -2.20 0.00 0.00 60.37 57.87 105m h HIS 12 Cb 0.60 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 105m h HIS 12 CO 0.00 1.02 -0.25 -0.24 -1.30 0.00 0.00 177.93 177.16 105m h VAL 13 N 0.63 0.52 0.00 5.26 3.04 -1.15 -2.95 116.25 121.59 105m h VAL 13 Ca 0.08 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 105m h VAL 13 Cb 0.78 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 105m h VAL 13 CO 0.06 0.24 0.00 -0.25 -1.01 0.00 0.00 177.57 176.62 105m h TRP 14 N 0.00 0.00 -0.08 3.17 2.91 -1.09 -2.76 115.95 118.10 105m h TRP 14 Ca -0.00 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 105m h TRP 14 Cb 0.92 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.56 105m h TRP 14 CO 0.00 0.00 -0.32 0.00 -1.03 0.00 0.00 178.44 177.09 105m h ALA 15 N 2.04 1.32 -0.38 2.65 0.00 -1.30 -1.20 119.26 122.39 105m h ALA 15 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 105m h ALA 15 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 105m h ALA 15 CO 0.00 0.48 -0.20 0.87 0.00 0.00 0.00 179.25 180.40 105m h LYS 16 N 0.14 0.80 -0.56 0.00 6.56 -1.62 -2.92 116.57 118.98 105m h LYS 16 Ca 0.02 -0.36 -0.06 0.00 -1.06 0.00 0.00 60.65 59.20 105m h LYS 16 Cb 0.64 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 105m h LYS 16 CO 0.05 0.99 0.13 0.28 -2.06 0.00 0.00 179.45 178.83 105m h VAL 17 N 0.60 1.25 0.00 0.50 2.07 -1.48 -2.81 116.25 116.38 105m h VAL 17 Ca 0.08 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.71 105m h VAL 17 Cb 0.75 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 105m h VAL 17 CO 0.06 0.33 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 105m h GLU 18 N 0.79 0.00 0.00 1.57 5.08 -1.19 -1.67 114.58 119.16 105m h GLU 18 Ca 0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 105m h GLU 18 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 105m h GLU 18 CO 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 179.01 177.68 105m h ALA 19 N 2.04 1.17 -1.04 3.43 0.00 -1.30 -3.35 119.26 120.21 105m h ALA 19 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 105m h ALA 19 Cb 0.29 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.80 105m h ALA 19 CO 0.00 0.42 -0.69 -3.47 0.00 0.00 0.00 179.25 175.50 105m n ASP 20 N -3.74 -2.07 0.06 0.00 2.03 -0.87 -5.02 116.55 106.93 105m n ASP 20 Ca -0.01 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.24 105m n ASP 20 Cb 0.43 0.95 -0.07 0.00 -0.72 0.00 0.00 41.12 41.70 105m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 105m h VAL 21 N 3.60 0.98 -0.87 5.18 2.07 -1.47 -2.17 116.25 123.57 105m h VAL 21 Ca 0.02 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.54 105m h VAL 21 Cb 1.00 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 105m h VAL 21 CO 0.27 0.01 0.57 0.00 0.02 0.00 0.00 177.57 178.45 105m h ALA 22 N 0.89 1.53 0.27 1.67 0.00 -1.90 0.97 119.26 122.68 105m h ALA 22 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 105m h ALA 22 Cb 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 105m h ALA 22 CO 0.01 0.35 -0.13 0.78 0.00 0.00 0.00 179.25 180.26 105m h GLY 23 N 1.00 -0.37 1.47 0.00 0.00 -1.89 -1.76 103.07 101.51 105m h GLY 23 Ca 0.37 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 105m h GLY 23 CO -0.13 -0.14 0.32 0.45 0.00 0.00 0.00 176.54 177.05 105m h HIS 24 N -0.75 0.68 -0.32 5.60 3.86 -1.21 -2.08 115.15 120.94 105m h HIS 24 Ca -0.04 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.07 105m h HIS 24 Cb 0.50 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 105m h HIS 24 CO 0.03 0.46 -0.27 0.78 0.86 0.00 0.00 177.93 179.79 105m h GLY 25 N 0.76 0.70 0.78 2.45 0.00 -0.75 -1.53 103.07 105.47 105m h GLY 25 Ca 0.19 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 105m h GLY 25 CO -0.04 0.55 -0.15 -1.61 0.00 0.00 0.00 176.54 175.29 105m h GLN 26 N 0.56 0.40 -0.73 4.80 4.15 -0.90 -2.57 115.11 120.82 105m h GLN 26 Ca 0.07 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 105m h GLN 26 Cb 0.75 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 105m h GLN 26 CO 0.06 0.76 0.45 -0.44 -1.93 0.00 0.00 178.83 177.73 105m h ASP 27 N 0.06 0.87 0.13 -0.69 5.19 -1.30 -2.05 116.42 118.62 105m h ASP 27 Ca 0.03 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 105m h ASP 27 Cb 0.68 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.97 105m h ASP 27 CO 0.04 0.66 -0.06 0.40 -3.12 0.00 0.00 179.24 177.15 105m h ILE 28 N 1.00 1.02 -0.74 0.35 2.04 -1.23 -2.10 117.51 117.86 105m h ILE 28 Ca 0.26 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.43 105m h ILE 28 Cb -0.05 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 105m h ILE 28 CO -0.05 0.16 0.49 -0.07 0.00 0.00 0.00 178.15 178.68 105m h LEU 29 N -0.51 0.84 -0.47 1.44 3.38 -1.34 -1.11 115.31 117.54 105m h LEU 29 Ca -0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 105m h LEU 29 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 105m h LEU 29 CO 0.03 0.61 0.04 0.40 0.09 0.00 0.00 178.44 179.61 105m h ILE 30 N 0.99 1.25 -0.75 1.22 2.04 -1.42 0.14 117.51 120.99 105m h ILE 30 Ca 0.27 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 105m h ILE 30 Cb -0.11 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 105m h ILE 30 CO -0.06 0.34 0.36 -0.09 0.00 0.00 0.00 178.15 178.70 105m h ARG 31 N 0.65 1.07 0.07 2.37 9.65 -1.12 0.29 114.38 127.36 105m h ARG 31 Ca 0.14 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 105m h ARG 31 Cb 0.44 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 105m h ARG 31 CO 0.02 0.82 -0.03 1.25 2.80 0.00 0.00 179.97 184.83 105m h LEU 32 N 1.06 -0.08 -0.85 3.80 5.85 -0.86 -1.67 115.31 122.57 105m h LEU 32 Ca 0.26 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 105m h LEU 32 Cb 0.11 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 105m h LEU 32 CO -0.03 0.38 0.45 -0.26 -0.34 0.00 0.00 178.44 178.63 105m h PHE 33 N -0.56 1.18 -0.01 1.25 0.04 -0.63 -0.01 116.94 118.20 105m h PHE 33 Ca -0.01 -0.04 -0.23 0.00 2.80 0.00 0.00 57.97 60.50 105m h PHE 33 Cb 0.48 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.26 105m h PHE 33 CO 0.08 0.83 -0.94 0.87 -0.60 0.00 0.00 178.31 178.55 105m h LYS 34 N 1.19 0.45 -0.06 1.51 1.79 -1.00 -3.04 116.57 117.40 105m h LYS 34 Ca 0.30 -0.47 -0.18 0.00 -2.18 0.00 0.00 60.65 58.11 105m h LYS 34 Cb 0.06 0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.85 105m h LYS 34 CO -0.04 1.13 -0.65 0.77 -1.08 0.00 0.00 179.45 179.57 105m h SER 35 N 0.26 0.68 -3.11 0.86 0.02 -1.22 -3.39 113.55 107.65 105m h SER 35 Ca -0.08 -0.69 -0.61 0.00 -0.84 0.00 0.00 61.79 59.56 105m h SER 35 Cb 1.57 -0.20 -0.41 0.00 0.14 0.00 0.00 62.40 63.50 105m h SER 35 CO 0.17 1.27 -0.69 -1.00 -1.14 0.00 0.00 176.83 175.44 105m s HIS 36 N -3.48 2.79 0.55 3.45 3.76 -0.03 -4.98 115.29 117.35 105m s HIS 36 Ca -0.12 -2.99 0.30 0.00 -0.15 0.00 0.00 55.06 52.10 105m s HIS 36 Cb 0.05 -2.22 1.47 0.00 1.11 0.00 0.00 32.58 32.99 105m s HIS 36 CO 0.85 -0.65 1.90 -1.35 -0.85 0.00 0.00 174.74 174.63 105m h PRO 37 N 5.72 0.00 0.00 8.40 0.11 -1.74 -1.17 132.00 143.31 105m h PRO 37 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 105m h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 105m h PRO 37 CO 0.61 0.00 -0.06 1.05 -0.21 0.00 0.00 178.00 179.39 105m h GLU 38 N 0.00 0.00 -0.37 1.05 9.09 -1.93 -2.58 114.58 119.84 105m h GLU 38 Ca 0.36 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.67 105m h GLU 38 Cb 1.53 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.61 105m h GLU 38 CO -0.00 0.06 -0.17 1.79 0.05 0.00 0.00 179.01 180.74 105m h THR 39 N 0.00 1.26 -0.51 -1.06 1.35 -1.55 -2.99 112.91 109.42 105m h THR 39 Ca -0.00 -1.22 -0.05 0.00 -0.55 0.00 0.00 66.41 64.59 105m h THR 39 Cb 0.12 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 105m h THR 39 CO 0.01 0.41 0.10 0.25 -0.25 0.00 0.00 175.52 176.03 105m h LEU 40 N 0.61 0.74 -2.93 3.87 5.85 -1.62 -1.90 115.31 119.92 105m h LEU 40 Ca 0.10 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.68 105m h LEU 40 Cb 0.63 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 105m h LEU 40 CO 0.04 0.75 0.01 -0.08 -0.34 0.00 0.00 178.44 178.82 105m h GLU 41 N 0.76 0.00 0.00 1.25 4.57 -1.55 -0.12 114.58 119.49 105m h GLU 41 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 105m h GLU 41 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 105m h GLU 41 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 105m n LYS 42 N -3.13 0.20 -3.67 1.92 4.76 -0.72 -4.59 118.16 112.92 105m n LYS 42 Ca -0.03 0.28 -0.39 0.00 -2.87 0.00 0.00 58.31 55.30 105m n LYS 42 Cb 0.08 -1.79 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 105m n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 105m s PHE 43 N -3.17 3.33 0.39 2.13 0.40 -0.06 -4.92 117.98 116.08 105m s PHE 43 Ca 0.08 -1.57 0.16 0.00 -0.60 0.00 0.00 56.93 55.00 105m s PHE 43 Cb 0.12 -2.73 0.90 0.00 0.51 0.00 0.00 43.02 41.82 105m s PHE 43 CO 0.49 -0.81 1.90 -0.44 0.70 0.00 0.00 175.22 177.06 105m h ASP 44 N 8.30 0.00 0.49 1.36 3.32 -1.83 0.03 116.42 128.10 105m h ASP 44 Ca -0.22 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 105m h ASP 44 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 105m h ASP 44 CO 0.69 0.29 -0.34 -0.09 -1.72 0.00 0.00 179.24 178.07 105m h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.94 -3.33 114.38 115.10 105m h ARG 45 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 105m h ARG 45 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 105m h ARG 45 CO 0.04 0.34 0.00 1.19 -1.51 0.00 0.00 179.97 180.03 105m n PHE 46 N -3.87 0.00 0.23 2.20 3.72 -1.00 -4.79 117.46 113.96 105m n PHE 46 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 105m n PHE 46 Cb 0.41 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 39.71 105m n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 105m h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.11 -0.88 116.57 115.60 105m h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 105m h LYS 47 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 105m h LYS 47 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 105m n HIS 48 N -2.52 0.61 -2.56 0.07 1.44 -1.26 -4.74 115.22 106.25 105m n HIS 48 Ca -0.02 0.22 -0.41 0.00 -2.01 0.00 0.00 57.72 55.50 105m n HIS 48 Cb 0.12 -0.85 -0.04 0.00 0.12 0.00 0.00 29.99 29.34 105m n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 105m s LEU 49 N -4.07 4.46 0.00 2.39 1.43 -0.34 -4.94 118.68 117.62 105m s LEU 49 Ca 0.07 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 105m s LEU 49 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.73 105m s LEU 49 CO 0.43 -0.23 0.00 0.29 0.23 0.00 0.00 176.35 177.07 105m n LYS 50 N 2.81 1.17 -4.25 1.70 4.01 -1.26 -5.05 118.16 117.28 105m n LYS 50 Ca 0.04 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.60 105m n LYS 50 Cb 0.47 -0.93 -0.07 0.00 -0.51 0.00 0.00 35.03 33.99 105m n LYS 50 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 105m s THR 51 N -1.86 2.97 0.34 -0.18 -4.23 -1.26 -5.02 115.64 106.40 105m s THR 51 Ca 0.00 -1.88 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 105m s THR 51 Cb 0.00 -2.85 0.08 0.00 1.34 0.00 0.00 72.50 71.07 105m s THR 51 CO 0.00 -0.25 1.79 -0.08 -0.54 0.00 0.00 174.62 175.54 105m h GLU 52 N 1.76 0.14 -0.38 3.99 4.81 -1.99 -2.11 114.58 120.80 105m h GLU 52 Ca -0.43 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 105m h GLU 52 Cb 1.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 105m h GLU 52 CO 0.64 0.47 0.14 0.00 -0.73 0.00 0.00 179.01 179.53 105m h ALA 53 N 1.53 0.49 -0.83 2.92 0.00 -1.98 0.02 119.26 121.41 105m h ALA 53 Ca 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 105m h ALA 53 Cb 0.67 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 105m h ALA 53 CO 0.05 0.11 0.38 0.93 0.00 0.00 0.00 179.25 180.72 105m h GLU 54 N 0.47 1.21 -0.42 0.00 5.08 -1.90 -1.39 114.58 117.63 105m h GLU 54 Ca 0.13 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 105m h GLU 54 Cb 0.20 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 105m h GLU 54 CO -0.01 0.94 -0.13 0.52 -1.00 0.00 0.00 179.01 179.34 105m h MET 55 N 1.19 0.76 -0.03 2.33 2.86 -1.16 -2.64 114.93 118.24 105m h MET 55 Ca 0.28 -0.26 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 105m h MET 55 Cb 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 105m h MET 55 CO -0.03 0.85 -0.46 -0.22 1.06 0.00 0.00 176.91 178.11 105m h LYS 56 N 0.69 0.07 0.00 1.72 1.63 -0.55 -3.08 116.57 117.04 105m h LYS 56 Ca 0.11 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 105m h LYS 56 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 105m h LYS 56 CO 0.04 0.51 -0.43 0.00 -3.45 0.00 0.00 179.45 176.12 105m n ALA 57 N -2.46 2.91 -2.38 5.00 0.00 -0.56 -4.86 120.51 118.15 105m n ALA 57 Ca -0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 105m n ALA 57 Cb 0.49 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 105m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 105m s SER 58 N -3.85 6.71 0.17 0.00 0.15 -1.02 -4.89 113.70 110.97 105m s SER 58 Ca 0.09 1.39 0.02 0.00 0.70 0.00 0.00 55.95 58.15 105m s SER 58 Cb 0.15 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 105m s SER 58 CO 0.68 -1.02 1.40 -0.33 1.20 0.00 0.00 173.24 175.17 105m h GLU 59 N 9.19 0.22 -0.68 5.44 4.39 -1.89 -3.17 114.58 128.07 105m h GLU 59 Ca -0.27 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.16 105m h GLU 59 Cb 1.11 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 105m h GLU 59 CO 1.01 0.93 0.24 0.22 -1.16 0.00 0.00 179.01 180.26 105m h ASP 60 N 0.13 0.95 -0.45 1.42 3.58 -1.98 -1.42 116.42 118.64 105m h ASP 60 Ca -0.04 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 105m h ASP 60 Cb 1.44 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 105m h ASP 60 CO 0.13 0.86 0.27 0.25 -2.88 0.00 0.00 179.24 177.87 105m h LEU 61 N 0.99 0.54 -1.12 2.28 5.85 -1.90 -1.91 115.31 120.05 105m h LEU 61 Ca 0.23 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 105m h LEU 61 Cb 0.24 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 105m h LEU 61 CO -0.01 0.44 -0.09 0.11 -0.34 0.00 0.00 178.44 178.55 105m h LYS 62 N 0.60 0.52 -0.49 1.25 1.57 -1.47 -1.38 116.57 117.17 105m h LYS 62 Ca 0.16 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 105m h LYS 62 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 105m h LYS 62 CO -0.03 0.61 0.29 -0.22 -0.57 0.00 0.00 179.45 179.53 105m h LYS 63 N 0.48 0.66 -0.00 3.15 3.64 -0.67 -1.80 116.57 122.03 105m h LYS 63 Ca 0.09 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 105m h LYS 63 Cb 0.45 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 105m h LYS 63 CO 0.02 0.49 -0.62 1.25 -2.27 0.00 0.00 179.45 178.32 105m h HIS 64 N 0.65 0.01 -0.67 1.91 2.76 -1.10 -2.53 115.15 116.18 105m h HIS 64 Ca 0.17 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 105m h HIS 64 Cb -0.00 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 105m h HIS 64 CO -0.03 0.63 0.29 0.78 -1.30 0.00 0.00 177.93 178.31 105m h GLY 65 N 1.86 1.06 1.19 5.26 0.00 -0.81 -0.03 103.07 111.60 105m h GLY 65 Ca -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 105m h GLY 65 CO 0.08 0.53 0.01 -2.08 0.00 0.00 0.00 176.54 175.08 105m h VAL 66 N 0.94 1.26 -0.55 4.60 2.07 -1.20 -0.61 116.25 122.77 105m h VAL 66 Ca 0.23 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 105m h VAL 66 Cb 0.17 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 105m h VAL 66 CO -0.02 0.40 0.25 0.74 0.02 0.00 0.00 177.57 178.95 105m h THR 67 N 0.90 1.21 0.06 2.57 2.02 -1.00 -0.78 112.91 117.90 105m h THR 67 Ca 0.17 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 105m h THR 67 Cb 0.51 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 105m h THR 67 CO 0.03 0.24 -0.03 0.58 0.37 0.00 0.00 175.52 176.71 105m h VAL 68 N 0.74 1.20 -0.01 3.16 2.07 -0.80 -2.59 116.25 120.03 105m h VAL 68 Ca 0.19 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 105m h VAL 68 Cb 0.15 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 105m h VAL 68 CO -0.02 0.22 -0.24 -0.07 0.02 0.00 0.00 177.57 177.48 105m h LEU 69 N -0.48 0.01 -0.14 2.57 3.38 -1.11 -0.74 115.31 118.79 105m h LEU 69 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 105m h LEU 69 Cb 0.43 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 105m h LEU 69 CO 0.01 0.26 -0.02 0.74 0.09 0.00 0.00 178.44 179.52 105m h THR 70 N 0.01 1.27 -0.67 0.22 2.02 -1.12 0.00 112.91 114.65 105m h THR 70 Ca 0.00 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 105m h THR 70 Cb 0.44 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 105m h THR 70 CO 0.03 0.27 0.34 0.00 0.37 0.00 0.00 175.52 176.53 105m h ALA 71 N 0.73 0.86 -0.21 6.16 0.00 -1.13 -2.29 119.26 123.38 105m h ALA 71 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 105m h ALA 71 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 105m h ALA 71 CO 0.01 0.41 0.07 1.25 0.00 0.00 0.00 179.25 180.99 105m h LEU 72 N 0.93 0.31 -1.64 0.00 5.85 -1.04 -2.61 115.31 117.11 105m h LEU 72 Ca 0.23 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.80 105m h LEU 72 Cb 0.09 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 105m h LEU 72 CO -0.03 0.43 0.32 1.23 -0.34 0.00 0.00 178.44 180.05 105m h GLY 73 N 0.18 0.54 1.58 3.75 0.00 -0.80 -0.85 103.07 107.47 105m h GLY 73 Ca 0.07 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 105m h GLY 73 CO -0.00 0.14 -0.47 0.00 0.00 0.00 0.00 176.54 176.21 105m h ALA 74 N 1.73 0.86 -0.08 3.60 0.00 -1.16 -2.70 119.26 121.51 105m h ALA 74 Ca 0.21 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 105m h ALA 74 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 105m h ALA 74 CO -0.05 0.66 -0.10 0.82 0.00 0.00 0.00 179.25 180.58 105m h ILE 75 N 0.36 1.38 -0.92 0.00 2.04 -0.83 -3.21 117.51 116.33 105m h ILE 75 Ca 0.02 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.63 105m h ILE 75 Cb 0.97 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 39.03 105m h ILE 75 CO 0.08 0.36 0.60 -0.07 0.00 0.00 0.00 178.15 179.13 105m h LEU 76 N -0.22 0.98 -0.28 1.44 3.38 -1.29 -1.17 115.31 118.16 105m h LEU 76 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 105m h LEU 76 Cb 0.63 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.16 105m h LEU 76 CO 0.02 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.51 105m n LYS 77 N -4.46 0.08 0.00 1.13 5.02 -1.02 -1.65 118.16 117.26 105m n LYS 77 Ca 0.13 0.32 0.14 0.00 -2.02 0.00 0.00 58.31 56.88 105m n LYS 77 Cb 0.13 -1.65 0.69 0.00 -0.02 0.00 0.00 35.03 34.18 105m n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 105m n LYS 78 N -1.79 0.37 -4.02 1.97 4.76 -0.44 -4.95 118.16 114.06 105m n LYS 78 Ca 0.03 -0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.14 105m n LYS 78 Cb 0.19 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 105m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 105m n LYS 79 N -1.28 -2.32 0.00 1.97 5.02 -0.66 -1.61 118.16 119.28 105m n LYS 79 Ca 0.13 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 105m n LYS 79 Cb 0.27 -4.12 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 105m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 105m n GLY 80 N -2.10 3.28 2.61 0.72 0.00 -1.26 -4.95 105.19 103.49 105m n GLY 80 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 105m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 105m n HIS 81 N -1.51 2.68 -0.97 1.61 8.25 -0.63 -4.64 115.22 120.01 105m n HIS 81 Ca 0.00 -2.79 0.08 0.00 -0.26 0.00 0.00 57.72 54.75 105m n HIS 81 Cb 0.00 -1.82 0.27 0.00 1.12 0.00 0.00 29.99 29.55 105m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 105m n HIS 82 N 2.23 0.99 -0.21 4.41 1.44 -1.26 -4.77 115.22 118.04 105m n HIS 82 Ca 0.54 -0.86 0.02 0.00 -2.01 0.00 0.00 57.72 55.41 105m n HIS 82 Cb 0.28 -0.32 0.13 0.00 0.12 0.00 0.00 29.99 30.20 105m n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 105m h GLU 83 N 1.92 0.21 -0.18 -1.40 3.07 -2.00 -1.59 114.58 114.60 105m h GLU 83 Ca 0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 105m h GLU 83 Cb 1.45 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 105m h GLU 83 CO 0.23 0.14 -0.00 0.00 -1.40 0.00 0.00 179.01 177.98 105m h ALA 84 N 1.54 0.24 0.00 3.43 0.00 -2.00 -3.04 119.26 119.43 105m h ALA 84 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 105m h ALA 84 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 105m h ALA 84 CO -0.47 -0.04 0.00 -0.85 0.00 0.00 0.00 179.25 177.88 105m n GLU 85 N -4.71 0.13 -0.03 0.00 0.00 -1.07 -3.52 120.64 111.43 105m n GLU 85 Ca -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 57.16 57.12 105m n GLU 85 Cb 0.22 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.03 105m n GLU 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 105m n LEU 86 N -1.43 0.40 0.17 -1.84 0.00 -0.62 -4.39 117.00 109.29 105m n LEU 86 Ca 0.09 0.18 -0.14 0.00 0.00 0.00 0.00 56.01 56.13 105m n LEU 86 Cb 0.28 0.24 -0.07 0.00 0.00 0.00 0.00 43.42 43.87 105m n LEU 86 CO 0.23 0.29 0.69 0.50 0.00 0.00 0.00 177.39 179.10 105m h LYS 87 N 0.00 -0.52 -0.42 1.96 3.64 -1.57 -1.42 116.57 118.24 105m h LYS 87 Ca -0.30 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 105m h LYS 87 Cb 1.80 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.71 105m h LYS 87 CO 0.04 -0.34 0.09 -1.00 -2.27 0.00 0.00 179.45 175.97 105m h PRO 88 N -0.53 0.63 -0.03 1.90 0.13 -1.80 -1.51 132.00 130.79 105m h PRO 88 Ca -0.00 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 105m h PRO 88 Cb 0.50 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 105m h PRO 88 CO -0.07 0.59 -0.48 -0.07 -0.23 0.00 0.00 178.00 177.74 105m h LEU 89 N 0.62 0.07 -0.22 1.56 -0.00 -1.72 -0.67 115.31 114.94 105m h LEU 89 Ca 0.14 -0.03 -0.22 0.00 -0.00 0.00 0.00 57.88 57.77 105m h LEU 89 Cb 0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 105m h LEU 89 CO -0.00 0.54 -0.86 0.00 -0.00 0.00 0.00 178.44 178.11 105m h ALA 90 N 1.46 0.39 -0.22 1.53 0.00 -0.85 -1.93 119.26 119.65 105m h ALA 90 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 105m h ALA 90 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 105m h ALA 90 CO 0.07 0.76 -0.20 1.96 0.00 0.00 0.00 179.25 181.84 105m h GLN 91 N 0.32 0.52 -0.27 0.00 4.20 -1.07 -2.03 115.11 116.79 105m h GLN 91 Ca -0.07 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.23 105m h GLN 91 Cb 1.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 105m h GLN 91 CO 0.16 0.84 -0.42 0.66 -0.67 0.00 0.00 178.83 179.41 105m h SER 92 N 0.20 0.69 0.58 1.46 4.64 -1.17 -2.40 113.55 117.57 105m h SER 92 Ca 0.04 -0.32 -0.28 0.00 -0.47 0.00 0.00 61.79 60.76 105m h SER 92 Cb 0.74 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 105m h SER 92 CO 0.05 1.02 -1.37 0.45 -0.87 0.00 0.00 176.83 176.11 105m h HIS 93 N 0.53 0.39 -0.00 4.77 3.86 -1.41 0.88 115.15 124.17 105m h HIS 93 Ca 0.04 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 105m h HIS 93 Cb 0.94 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.40 105m h HIS 93 CO 0.04 1.28 -0.08 0.00 0.86 0.00 0.00 177.93 180.03 105m h ALA 94 N 0.61 0.01 0.04 2.45 0.00 -1.43 0.09 119.26 121.03 105m h ALA 94 Ca -0.18 -0.41 -0.34 0.00 0.00 0.00 0.00 54.91 53.98 105m h ALA 94 Cb 1.97 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 105m h ALA 94 CO 0.17 -0.05 -2.00 0.25 0.00 0.00 0.00 179.25 177.62 105m n THR 95 N -4.65 1.62 -0.11 0.00 -2.24 -0.90 -3.91 114.28 104.09 105m n THR 95 Ca -0.09 -0.73 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 105m n THR 95 Cb 0.42 -1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 67.32 105m n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 105m n LYS 96 N -3.16 0.62 0.13 -0.78 4.81 -0.89 -4.57 118.16 114.32 105m n LYS 96 Ca -0.28 0.32 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 105m n LYS 96 Cb 1.06 -1.60 0.03 0.00 0.02 0.00 0.00 35.03 34.55 105m n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 105m h HIS 97 N -0.62 0.00 -5.63 5.64 3.86 -0.91 -3.49 115.15 114.00 105m h HIS 97 Ca -0.54 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.34 105m h HIS 97 Cb 1.66 0.00 0.17 0.00 1.06 0.00 0.00 27.41 30.30 105m h HIS 97 CO 0.01 0.20 -0.76 1.63 0.86 0.00 0.00 177.93 179.86 105m n LYS 98 N -2.92 -6.59 -3.29 2.45 4.76 -0.26 -4.98 118.16 107.32 105m n LYS 98 Ca -0.00 0.84 -0.41 0.00 -2.87 0.00 0.00 58.31 55.87 105m n LYS 98 Cb 0.63 -5.85 -0.08 0.00 -1.84 0.00 0.00 35.03 27.89 105m n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 105m s ILE 99 N -3.36 5.07 0.43 -0.18 -1.09 -0.14 -5.03 121.20 116.90 105m s ILE 99 Ca 0.01 0.27 -0.25 0.00 -2.23 0.00 0.00 60.65 58.44 105m s ILE 99 Cb -0.00 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 105m s ILE 99 CO 0.72 -0.16 1.31 -2.84 -1.23 0.00 0.00 174.94 172.75 105m s PRO 100 N 2.27 3.82 0.45 2.79 0.02 -1.26 -4.72 135.00 138.37 105m s PRO 100 Ca 0.17 2.17 0.17 0.00 0.02 0.00 0.00 61.00 63.53 105m s PRO 100 Cb -0.16 -2.66 1.12 0.00 0.02 0.00 0.00 34.50 32.83 105m s PRO 100 CO 0.13 -0.62 1.95 0.82 -0.33 0.00 0.00 177.00 178.94 105m h ILE 101 N 2.28 0.80 -0.69 2.83 1.08 -0.93 -1.06 117.51 121.83 105m h ILE 101 Ca -0.50 -0.11 0.10 0.00 -0.39 0.00 0.00 64.86 63.96 105m h ILE 101 Cb 1.25 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 105m h ILE 101 CO 0.62 0.06 0.46 0.50 -0.69 0.00 0.00 178.15 179.09 105m h LYS 102 N 0.32 0.52 -0.02 2.37 1.63 -1.91 0.69 116.57 120.18 105m h LYS 102 Ca 0.33 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.03 105m h LYS 102 Cb 0.82 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 105m h LYS 102 CO -0.08 0.35 -0.27 1.88 -3.45 0.00 0.00 179.45 177.88 105m h TYR 103 N 0.54 0.04 -0.07 1.91 -1.99 -1.54 -1.33 116.97 114.53 105m h TYR 103 Ca 0.32 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.96 105m h TYR 103 Cb 0.52 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 105m h TYR 103 CO -0.00 0.30 -0.35 1.25 -0.00 0.00 0.00 178.16 179.36 105m h LEU 104 N 0.03 0.15 -0.39 3.88 5.85 -0.93 -1.40 115.31 122.51 105m h LEU 104 Ca 0.00 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 105m h LEU 104 Cb 0.49 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 105m h LEU 104 CO 0.04 0.49 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.24 105m h GLU 105 N 0.13 0.90 0.39 1.25 4.81 -1.10 -2.71 114.58 118.25 105m h GLU 105 Ca 0.02 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 105m h GLU 105 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 105m h GLU 105 CO 0.05 1.09 -0.19 0.74 -0.73 0.00 0.00 179.01 179.98 105m h PHE 106 N 0.71 -0.49 -0.40 0.92 0.04 -0.81 -2.67 116.94 114.24 105m h PHE 106 Ca 0.07 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.91 105m h PHE 106 Cb 0.89 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 105m h PHE 106 CO 0.06 -0.29 0.28 0.97 -0.60 0.00 0.00 178.31 178.72 105m h ILE 107 N -0.54 0.89 -0.14 -0.55 6.09 -1.29 -0.48 117.51 121.50 105m h ILE 107 Ca -0.05 -0.06 -0.12 0.00 -1.37 0.00 0.00 64.86 63.25 105m h ILE 107 Cb 0.41 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 38.38 105m h ILE 107 CO 0.09 0.03 -0.46 0.28 -3.07 0.00 0.00 178.15 175.02 105m h SER 108 N 0.19 0.36 0.58 2.19 0.02 -1.27 -2.35 113.55 113.27 105m h SER 108 Ca 0.18 -0.17 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 105m h SER 108 Cb 0.49 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 105m h SER 108 CO -0.03 0.77 -0.82 -0.33 -1.14 0.00 0.00 176.83 175.28 105m h GLU 109 N 0.27 0.17 -0.19 3.45 4.39 -0.78 -3.17 114.58 118.72 105m h GLU 109 Ca 0.02 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 105m h GLU 109 Cb 0.91 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 105m h GLU 109 CO 0.08 0.90 -0.29 0.00 -1.16 0.00 0.00 179.01 178.53 105m h ALA 110 N 1.04 1.15 -0.26 3.43 0.00 -1.06 -2.60 119.26 120.96 105m h ALA 110 Ca -0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 105m h ALA 110 Cb 1.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 105m h ALA 110 CO 0.12 0.55 -0.02 0.82 0.00 0.00 0.00 179.25 180.72 105m h ILE 111 N 0.33 1.27 -0.49 0.00 2.04 -1.41 -2.19 117.51 117.04 105m h ILE 111 Ca 0.05 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 105m h ILE 111 Cb 0.69 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 105m h ILE 111 CO 0.05 0.31 0.15 0.40 0.00 0.00 0.00 178.15 179.06 105m h ILE 112 N 0.24 1.20 -0.05 -0.67 5.03 -1.52 -1.75 117.51 119.99 105m h ILE 112 Ca 0.07 -0.68 -0.01 0.00 -0.12 0.00 0.00 64.86 64.12 105m h ILE 112 Cb 0.46 0.66 -0.00 0.00 -3.03 0.00 0.00 36.82 34.91 105m h ILE 112 CO 0.02 0.26 -0.00 -0.74 -0.68 0.00 0.00 178.15 177.00 105m h HIS 113 N 0.72 0.10 -0.16 1.37 2.76 -1.36 -2.68 115.15 115.90 105m h HIS 113 Ca 0.17 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 105m h HIS 113 Cb 0.22 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 105m h HIS 113 CO 0.01 0.39 0.00 0.28 -1.30 0.00 0.00 177.93 177.32 105m h VAL 114 N -0.22 0.90 -0.89 5.26 2.07 -1.19 -1.70 116.25 120.48 105m h VAL 114 Ca 0.01 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.58 105m h VAL 114 Cb 0.35 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 105m h VAL 114 CO 0.00 0.01 0.58 -0.07 0.02 0.00 0.00 177.57 178.11 105m h LEU 115 N 0.06 0.89 -0.16 2.57 3.38 -1.35 0.46 115.31 121.15 105m h LEU 115 Ca 0.07 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 105m h LEU 115 Cb 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 105m h LEU 115 CO -0.12 0.57 -0.36 0.45 0.09 0.00 0.00 178.44 179.07 105m h HIS 116 N 1.01 0.68 -0.35 1.13 3.86 -1.11 -0.86 115.15 119.51 105m h HIS 116 Ca 0.38 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 105m h HIS 116 Cb 0.21 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 105m h HIS 116 CO -0.00 0.99 -0.10 1.03 0.86 0.00 0.00 177.93 180.71 105m h SER 117 N 0.18 0.70 1.43 2.45 0.87 -1.01 -2.91 113.55 115.25 105m h SER 117 Ca 0.00 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 105m h SER 117 Cb 0.97 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 105m h SER 117 CO 0.08 0.91 -0.17 -0.09 -0.53 0.00 0.00 176.83 177.02 105m h ARG 118 N 0.48 0.00 -2.11 2.24 2.43 -0.98 -3.36 114.38 113.08 105m h ARG 118 Ca 0.09 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.71 105m h ARG 118 Cb 0.61 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.75 105m h ARG 118 CO 0.04 0.17 -0.93 0.72 -1.51 0.00 0.00 179.97 178.46 105m n HIS 119 N -3.20 1.72 -1.68 2.20 8.25 -0.33 -5.07 115.22 117.12 105m n HIS 119 Ca 0.02 -3.87 -0.47 0.00 -0.26 0.00 0.00 57.72 53.14 105m n HIS 119 Cb 0.51 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 105m n HIS 119 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 105m n PRO 120 N 0.43 2.28 -1.51 -0.41 -0.02 -1.11 -1.38 135.00 133.28 105m n PRO 120 Ca 0.27 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.43 105m n PRO 120 Cb 0.52 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 105m n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 105m n GLY 121 N 4.14 1.31 0.00 -1.23 0.00 -1.26 -4.81 105.19 103.34 105m n GLY 121 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.89 105m n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 105m n ASP 122 N -0.39 0.24 -4.14 1.61 2.03 -0.48 -4.93 116.55 110.49 105m n ASP 122 Ca -0.15 -0.58 -0.38 0.00 0.52 0.00 0.00 54.79 54.21 105m n ASP 122 Cb 0.49 0.35 -0.10 0.00 -0.72 0.00 0.00 41.12 41.15 105m n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 105m s PHE 123 N -0.35 3.50 0.70 -0.67 5.36 -1.17 -5.08 117.98 120.27 105m s PHE 123 Ca 0.00 -2.40 -0.14 0.00 -0.96 0.00 0.00 56.93 53.43 105m s PHE 123 Cb 0.00 -3.30 0.02 0.00 -0.34 0.00 0.00 43.02 39.40 105m s PHE 123 CO 0.00 -0.93 1.13 0.20 -1.46 0.00 0.00 175.22 174.15 105m s GLY 124 N 1.61 2.10 0.45 13.12 0.00 -1.26 -4.85 107.32 118.49 105m s GLY 124 Ca 0.11 0.57 0.17 0.00 0.00 0.00 0.00 44.72 45.58 105m s GLY 124 CO -0.03 0.94 1.98 0.00 0.00 0.00 0.00 173.10 175.99 105m h ALA 125 N -0.28 1.54 -0.40 3.20 0.00 -1.98 0.48 119.26 121.82 105m h ALA 125 Ca -0.46 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 105m h ALA 125 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 105m h ALA 125 CO 0.52 0.25 -0.24 0.38 0.00 0.00 0.00 179.25 180.16 105m h ASP 126 N 0.00 0.90 0.02 0.00 2.03 -1.99 -1.79 116.42 115.59 105m h ASP 126 Ca -0.00 -0.42 -0.16 0.00 -0.73 0.00 0.00 57.03 55.71 105m h ASP 126 Cb 0.38 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 105m h ASP 126 CO 0.03 1.12 -0.55 0.00 -1.03 0.00 0.00 179.24 178.81 105m h ALA 127 N 0.80 0.69 -0.64 4.15 0.00 -1.74 -1.86 119.26 120.66 105m h ALA 127 Ca 0.08 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 105m h ALA 127 Cb 0.81 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 105m h ALA 127 CO 0.07 0.69 0.09 0.37 0.00 0.00 0.00 179.25 180.47 105m h GLN 128 N 0.43 1.06 -0.53 0.00 4.15 -0.84 -0.65 115.11 118.73 105m h GLN 128 Ca 0.01 -0.28 -0.12 0.00 0.77 0.00 0.00 58.65 59.03 105m h GLN 128 Cb 1.10 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 105m h GLN 128 CO 0.10 0.98 -0.14 0.78 -1.93 0.00 0.00 178.83 178.63 105m h GLY 129 N 1.04 1.11 0.88 2.39 0.00 -1.15 -0.92 103.07 106.42 105m h GLY 129 Ca 0.19 -0.92 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 105m h GLY 129 CO 0.01 0.84 0.02 0.00 0.00 0.00 0.00 176.54 177.41 105m h ALA 130 N 0.92 0.38 -0.55 3.60 0.00 -1.11 -2.10 119.26 120.41 105m h ALA 130 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 105m h ALA 130 Cb 0.71 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 105m h ALA 130 CO 0.05 0.11 0.28 1.98 0.00 0.00 0.00 179.25 181.67 105m h MET 131 N 0.29 0.76 -0.05 0.00 -1.53 -1.02 -1.40 114.93 111.99 105m h MET 131 Ca 0.08 -0.09 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 105m h MET 131 Cb 0.40 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.30 105m h MET 131 CO 0.01 0.58 0.03 -0.91 0.14 0.00 0.00 176.91 176.76 105m h ASN 132 N 0.77 0.06 -0.62 1.39 -0.26 -0.89 -2.01 115.58 114.01 105m h ASN 132 Ca 0.19 -0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.88 105m h ASN 132 Cb 0.06 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 105m h ASN 132 CO -0.03 0.11 0.41 0.11 -1.06 0.00 0.00 177.43 176.97 105m h LYS 133 N 0.00 0.80 -0.76 0.81 1.57 -0.74 -0.60 116.57 117.66 105m h LYS 133 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 105m h LYS 133 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 105m h LYS 133 CO -0.00 0.53 0.36 0.00 -0.57 0.00 0.00 179.45 179.77 105m h ALA 134 N 1.24 0.97 -0.19 3.86 0.00 -1.16 -0.96 119.26 123.02 105m h ALA 134 Ca 0.23 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 105m h ALA 134 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 105m h ALA 134 CO -0.06 0.54 -0.39 -0.07 0.00 0.00 0.00 179.25 179.27 105m h LEU 135 N 1.07 0.44 -0.61 0.00 4.07 -1.01 -2.16 115.31 117.11 105m h LEU 135 Ca 0.26 -0.19 -0.15 0.00 0.08 0.00 0.00 57.88 57.88 105m h LEU 135 Cb 0.13 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 105m h LEU 135 CO -0.03 0.79 -0.61 -0.33 -1.08 0.00 0.00 178.44 177.18 105m h GLU 136 N 0.35 0.30 -0.08 1.13 5.08 -0.81 -1.69 114.58 118.86 105m h GLU 136 Ca 0.03 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 105m h GLU 136 Cb 0.84 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 105m h GLU 136 CO 0.07 0.82 0.03 1.25 -1.00 0.00 0.00 179.01 180.18 105m h LEU 137 N 0.22 0.11 -0.57 1.33 5.85 -0.99 -0.22 115.31 121.05 105m h LEU 137 Ca -0.01 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.60 105m h LEU 137 Cb 1.13 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 105m h LEU 137 CO 0.10 0.26 0.26 0.15 -0.34 0.00 0.00 178.44 178.87 105m h PHE 138 N -0.04 0.46 0.03 1.25 3.57 -1.30 -1.68 116.94 119.24 105m h PHE 138 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 105m h PHE 138 Cb 0.19 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.81 105m h PHE 138 CO -0.01 0.18 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.14 105m h ARG 139 N 0.48 -0.04 -0.49 1.11 2.43 -1.14 -1.13 114.38 115.61 105m h ARG 139 Ca 0.27 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.53 105m h ARG 139 Cb 0.25 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 105m h ARG 139 CO -0.23 0.23 0.08 -0.22 -1.51 0.00 0.00 179.97 178.31 105m h LYS 140 N -0.32 0.20 -0.65 0.20 3.64 -0.80 0.05 116.57 118.90 105m h LYS 140 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 105m h LYS 140 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 105m h LYS 140 CO 0.01 0.13 0.12 -0.44 -2.27 0.00 0.00 179.45 177.00 105m h ASP 141 N 0.20 1.01 -0.04 4.20 3.32 -1.24 -2.22 116.42 121.66 105m h ASP 141 Ca 0.24 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 105m h ASP 141 Cb 0.34 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 105m h ASP 141 CO -0.34 1.00 0.02 0.40 -1.72 0.00 0.00 179.24 178.61 105m h ILE 142 N 0.98 1.04 -0.06 0.35 1.08 -0.50 -2.32 117.51 118.09 105m h ILE 142 Ca 0.20 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.57 105m h ILE 142 Cb 0.41 1.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 105m h ILE 142 CO 0.01 0.03 0.05 0.00 -0.69 0.00 0.00 178.15 177.56 105m h ALA 143 N 0.97 1.78 -0.19 1.87 0.00 -0.83 -0.57 119.26 122.29 105m h ALA 143 Ca 0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 105m h ALA 143 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 105m h ALA 143 CO -0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 179.25 178.77 105m h ALA 144 N 1.95 0.97 0.10 0.00 0.00 -0.83 -1.38 119.26 120.07 105m h ALA 144 Ca 0.03 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.24 105m h ALA 144 Cb 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.83 105m h ALA 144 CO -0.00 0.62 -1.18 0.87 0.00 0.00 0.00 179.25 179.56 105m h LYS 145 N 0.36 0.45 -0.24 0.00 6.56 -1.02 -3.04 116.57 119.64 105m h LYS 145 Ca 0.03 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 59.01 105m h LYS 145 Cb 0.85 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 105m h LYS 145 CO 0.07 1.26 0.15 1.88 -2.06 0.00 0.00 179.45 180.75 105m h TYR 146 N 0.19 0.29 -0.69 -1.35 -1.99 -1.14 -2.54 116.97 109.74 105m h TYR 146 Ca -0.15 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.61 105m h TYR 146 Cb 1.86 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 40.45 105m h TYR 146 CO 0.08 0.18 0.44 -0.22 -0.00 0.00 0.00 178.16 178.65 105m h LYS 147 N 0.32 0.85 -0.30 4.88 3.64 -1.32 -0.04 116.57 124.59 105m h LYS 147 Ca 0.09 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 105m h LYS 147 Cb -0.03 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.54 105m h LYS 147 CO -0.02 0.56 -0.06 1.49 -2.27 0.00 0.00 179.45 179.14 105m h GLU 148 N 0.87 0.01 0.00 1.90 4.81 -1.36 -1.99 114.58 118.82 105m h GLU 148 Ca 0.27 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 105m h GLU 148 Cb -0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 105m h GLU 148 CO -0.09 0.01 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.89 105m h LEU 149 N 0.01 0.00 0.00 1.64 3.38 -1.13 -3.46 115.31 115.75 105m h LEU 149 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 105m h LEU 149 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 105m h LEU 149 CO -0.30 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.08 105m n GLY 150 N -0.78 1.21 0.00 0.83 0.00 -0.75 -5.07 105.19 100.64 105m n GLY 150 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 105m n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 105m n TYR 151 N -0.14 0.00 0.00 1.61 4.02 -0.09 -4.92 117.16 117.64 105m n TYR 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 105m n TYR 151 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 105m n TYR 151 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 105m n GLN 152 N 0.00 0.00 0.00 -0.72 7.27 -1.07 -4.66 117.38 118.20 105m n GLN 152 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 105m n GLN 152 Cb 0.00 -2.53 0.37 0.00 2.41 0.00 0.00 30.24 30.48 105m n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54