#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 107m s VAL 1 N 0.00 -0.29 0.28 3.17 1.01 -1.26 -5.07 120.40 118.25 107m s VAL 1 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 107m s VAL 1 Cb 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 36.38 35.82 107m s VAL 1 CO 0.00 0.08 0.61 -0.76 0.00 0.00 0.00 175.10 175.03 107m s LEU 2 N 1.97 4.08 0.74 3.92 1.02 -1.26 -5.09 118.68 124.07 107m s LEU 2 Ca -0.04 0.97 -0.10 0.00 0.02 0.00 0.00 54.13 54.98 107m s LEU 2 Cb -0.11 -3.77 0.05 0.00 0.02 0.00 0.00 46.19 42.39 107m s LEU 2 CO -0.10 -0.17 1.09 -0.94 0.02 0.00 0.00 176.35 176.25 107m s SER 3 N -2.62 4.89 0.38 2.29 1.04 -1.26 -4.91 113.70 113.51 107m s SER 3 Ca 0.48 0.76 0.10 0.00 0.48 0.00 0.00 55.95 57.77 107m s SER 3 Cb -0.11 -1.40 0.75 0.00 0.10 0.00 0.00 66.02 65.36 107m s SER 3 CO 0.24 -1.62 1.88 -0.08 0.98 0.00 0.00 173.24 174.64 107m h GLU 4 N -0.76 0.19 -0.52 4.02 4.57 -1.99 -2.14 114.58 117.94 107m h GLU 4 Ca -0.45 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.59 107m h GLU 4 Cb 1.30 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 107m h GLU 4 CO 0.63 0.39 -0.03 0.78 -1.18 0.00 0.00 179.01 179.61 107m h GLY 5 N 0.83 0.98 1.10 1.92 0.00 -2.00 -1.86 103.07 104.04 107m h GLY 5 Ca 0.03 -0.71 -0.15 0.00 0.00 0.00 0.00 47.33 46.50 107m h GLY 5 CO 0.03 0.65 -0.37 0.83 0.00 0.00 0.00 176.54 177.69 107m h GLU 6 N 0.84 0.90 -0.26 4.80 5.08 -1.82 -2.89 114.58 121.24 107m h GLU 6 Ca 0.15 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 107m h GLU 6 Cb 0.54 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 107m h GLU 6 CO 0.03 1.13 -0.14 -1.49 -1.00 0.00 0.00 179.01 177.54 107m h TRP 7 N 0.71 0.46 -0.37 4.33 4.06 -1.30 -2.30 115.95 121.55 107m h TRP 7 Ca 0.06 -0.07 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 107m h TRP 7 Cb 0.96 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.98 107m h TRP 7 CO 0.07 0.56 -0.15 1.96 -3.56 0.00 0.00 178.44 177.31 107m h GLN 8 N 0.40 0.68 -0.48 0.49 1.08 -1.24 0.10 115.11 116.13 107m h GLN 8 Ca 0.07 -0.23 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 107m h GLN 8 Cb 0.48 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 107m h GLN 8 CO 0.03 0.80 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.56 107m h LEU 9 N 0.61 0.90 -0.08 1.46 3.38 -1.26 -0.29 115.31 120.04 107m h LEU 9 Ca 0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 107m h LEU 9 Cb 0.60 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 107m h LEU 9 CO 0.04 1.03 0.00 0.58 0.09 0.00 0.00 178.44 180.19 107m h VAL 10 N 0.75 1.24 0.00 1.22 2.07 -1.20 -2.94 116.25 117.39 107m h VAL 10 Ca 0.13 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 107m h VAL 10 Cb 0.62 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 107m h VAL 10 CO 0.04 0.21 -0.23 -0.07 0.02 0.00 0.00 177.57 177.54 107m h LEU 11 N -0.14 0.00 -0.20 2.57 3.38 -0.93 -1.41 115.31 118.58 107m h LEU 11 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 107m h LEU 11 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 107m h LEU 11 CO 0.00 0.23 -0.35 -0.74 0.09 0.00 0.00 178.44 177.67 107m h HIS 12 N 0.00 0.74 -0.15 1.13 2.76 -0.99 -2.11 115.15 116.52 107m h HIS 12 Ca -0.00 -0.26 -0.18 0.00 -2.20 0.00 0.00 60.37 57.73 107m h HIS 12 Cb 0.74 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 107m h HIS 12 CO 0.00 1.00 -0.65 -0.24 -1.30 0.00 0.00 177.93 176.74 107m h VAL 13 N 0.27 1.33 -0.17 5.26 3.04 -1.37 -3.02 116.25 121.59 107m h VAL 13 Ca 0.01 -1.94 -0.01 0.00 -1.01 0.00 0.00 66.70 63.75 107m h VAL 13 Cb 0.94 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 107m h VAL 13 CO 0.08 0.60 0.05 -0.25 -1.01 0.00 0.00 177.57 177.04 107m h TRP 14 N 0.41 0.23 -0.36 3.17 2.91 -1.22 0.67 115.95 121.76 107m h TRP 14 Ca -0.02 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 107m h TRP 14 Cb 1.22 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 107m h TRP 14 CO 0.05 0.21 0.06 0.00 -1.03 0.00 0.00 178.44 177.73 107m h ALA 15 N 1.82 1.44 -0.22 2.65 0.00 -1.24 -0.75 119.26 122.95 107m h ALA 15 Ca 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 107m h ALA 15 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 107m h ALA 15 CO -0.00 0.41 -0.09 0.87 0.00 0.00 0.00 179.25 180.43 107m h LYS 16 N 0.52 0.46 -0.96 0.00 1.79 -0.92 -2.95 116.57 114.52 107m h LYS 16 Ca 0.12 -0.19 0.09 0.00 -2.18 0.00 0.00 60.65 58.49 107m h LYS 16 Cb 0.24 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 107m h LYS 16 CO 0.00 0.72 0.62 0.28 -1.08 0.00 0.00 179.45 179.99 107m h VAL 17 N 0.17 1.00 0.00 0.50 2.07 -0.80 -1.97 116.25 117.21 107m h VAL 17 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 107m h VAL 17 Cb 0.58 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 107m h VAL 17 CO 0.03 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.18 107m n GLU 18 N -4.54 0.12 0.27 1.57 1.02 -0.34 -2.00 120.64 116.74 107m n GLU 18 Ca 0.16 0.41 0.16 0.00 -0.02 0.00 0.00 57.16 57.87 107m n GLU 18 Cb 0.28 -1.76 0.69 0.00 -0.02 0.00 0.00 31.44 30.63 107m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 107m h ALA 19 N 2.28 1.02 -1.60 0.62 0.00 -1.35 -3.36 119.26 116.89 107m h ALA 19 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 107m h ALA 19 Cb 0.27 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.77 107m h ALA 19 CO 0.00 0.06 -0.76 -3.47 0.00 0.00 0.00 179.25 175.08 107m n ASP 20 N -3.19 -1.78 -0.08 0.00 2.03 -0.85 -5.02 116.55 107.66 107m n ASP 20 Ca 0.00 -2.69 -0.11 0.00 0.52 0.00 0.00 54.79 52.51 107m n ASP 20 Cb 0.31 0.54 -0.04 0.00 -0.72 0.00 0.00 41.12 41.20 107m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 107m h VAL 21 N 4.38 1.19 -0.53 5.18 2.07 -1.71 -2.51 116.25 124.31 107m h VAL 21 Ca 0.13 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 107m h VAL 21 Cb 0.99 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 107m h VAL 21 CO 0.24 0.20 0.29 0.00 0.02 0.00 0.00 177.57 178.32 107m h ALA 22 N 0.90 0.68 -0.58 1.67 0.00 -1.91 -0.76 119.26 119.27 107m h ALA 22 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 107m h ALA 22 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 107m h ALA 22 CO -0.00 0.20 0.19 0.78 0.00 0.00 0.00 179.25 180.42 107m h GLY 23 N 0.71 0.96 1.13 0.00 0.00 -1.95 -1.54 103.07 102.38 107m h GLY 23 Ca 0.19 -0.56 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 107m h GLY 23 CO -0.03 0.53 -0.36 0.45 0.00 0.00 0.00 176.54 177.13 107m h HIS 24 N 0.81 1.13 -0.90 5.60 3.86 -1.32 -2.28 115.15 122.06 107m h HIS 24 Ca 0.19 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 107m h HIS 24 Cb 0.28 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 107m h HIS 24 CO 0.02 1.16 0.55 0.78 0.86 0.00 0.00 177.93 181.30 107m h GLY 25 N 0.79 1.29 0.74 2.45 0.00 -0.96 -1.66 103.07 105.73 107m h GLY 25 Ca 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 107m h GLY 25 CO 0.09 0.51 -0.07 -1.61 0.00 0.00 0.00 176.54 175.46 107m h GLN 26 N 1.23 -0.19 -0.76 4.80 4.15 -1.22 -2.54 115.11 120.59 107m h GLN 26 Ca 0.32 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.81 107m h GLN 26 Cb -0.07 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 107m h GLN 26 CO -0.06 0.08 0.46 -0.44 -1.93 0.00 0.00 178.83 176.94 107m h ASP 27 N -0.46 0.71 -0.14 -0.69 3.32 -1.17 -1.93 116.42 116.06 107m h ASP 27 Ca -0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 107m h ASP 27 Cb 0.36 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 107m h ASP 27 CO 0.03 0.46 -0.03 0.40 -1.72 0.00 0.00 179.24 178.38 107m h ILE 28 N 0.84 1.29 -0.70 0.35 2.04 -1.32 -1.78 117.51 118.23 107m h ILE 28 Ca 0.33 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 107m h ILE 28 Cb 0.16 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 107m h ILE 28 CO -0.17 0.28 0.26 -0.07 0.00 0.00 0.00 178.15 178.46 107m h LEU 29 N -0.03 0.96 -0.54 1.44 3.38 -1.33 -1.31 115.31 117.88 107m h LEU 29 Ca 0.04 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 107m h LEU 29 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 107m h LEU 29 CO 0.01 0.86 -0.30 0.40 0.09 0.00 0.00 178.44 179.50 107m h ILE 30 N 1.01 1.28 0.08 1.22 2.04 -1.39 -0.68 117.51 121.07 107m h ILE 30 Ca 0.23 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.64 107m h ILE 30 Cb 0.22 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 107m h ILE 30 CO -0.02 0.49 -0.14 -0.09 0.00 0.00 0.00 178.15 178.39 107m h ARG 31 N 0.72 -0.27 -0.18 2.37 1.12 -0.92 -0.88 114.38 116.34 107m h ARG 31 Ca 0.08 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.97 107m h ARG 31 Cb 0.86 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.87 107m h ARG 31 CO 0.08 -0.18 0.11 1.25 -3.11 0.00 0.00 179.97 178.11 107m h LEU 32 N -0.28 0.18 -1.40 3.80 5.85 -1.09 -0.86 115.31 121.51 107m h LEU 32 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 107m h LEU 32 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 107m h LEU 32 CO -0.08 0.13 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.82 107m h PHE 33 N 0.22 0.33 0.20 1.25 0.04 -0.91 0.18 116.94 118.26 107m h PHE 33 Ca 0.07 -0.03 -0.27 0.00 2.80 0.00 0.00 57.97 60.54 107m h PHE 33 Cb -0.01 -0.10 0.03 0.00 2.20 0.00 0.00 35.95 38.07 107m h PHE 33 CO -0.08 0.39 -1.20 0.87 -0.60 0.00 0.00 178.31 177.70 107m h LYS 34 N 0.31 0.43 -0.40 1.51 1.57 -1.02 -2.99 116.57 115.97 107m h LYS 34 Ca 0.07 -0.73 -0.10 0.00 -1.87 0.00 0.00 60.65 58.02 107m h LYS 34 Cb 0.32 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 107m h LYS 34 CO 0.01 1.35 -0.14 0.77 -0.57 0.00 0.00 179.45 180.88 107m h SER 35 N -0.09 0.82 -2.60 0.86 0.02 -1.06 -3.38 113.55 108.11 107m h SER 35 Ca -0.21 -0.38 -0.60 0.00 -0.84 0.00 0.00 61.79 59.76 107m h SER 35 Cb 1.93 -0.22 -0.39 0.00 0.14 0.00 0.00 62.40 63.85 107m h SER 35 CO 0.22 1.01 -0.84 -1.00 -1.14 0.00 0.00 176.83 175.07 107m s HIS 36 N -4.72 1.90 0.57 3.45 3.76 0.62 -4.99 115.29 115.87 107m s HIS 36 Ca -0.12 -2.66 0.29 0.00 -0.15 0.00 0.00 55.06 52.42 107m s HIS 36 Cb 0.10 -1.50 1.46 0.00 1.11 0.00 0.00 32.58 33.76 107m s HIS 36 CO 0.83 -0.74 1.90 -1.35 -0.85 0.00 0.00 174.74 174.53 107m h PRO 37 N 5.56 0.00 0.00 8.40 0.11 -1.71 -1.74 132.00 142.63 107m h PRO 37 Ca 0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 107m h PRO 37 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 107m h PRO 37 CO 0.48 0.00 -0.21 1.05 -0.21 0.00 0.00 178.00 179.12 107m h GLU 38 N 0.00 0.00 -0.04 1.05 9.09 -1.92 -2.67 114.58 120.09 107m h GLU 38 Ca 0.28 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.63 107m h GLU 38 Cb 1.33 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 107m h GLU 38 CO -0.00 0.21 -0.25 1.79 0.05 0.00 0.00 179.01 180.80 107m h THR 39 N 0.00 1.20 0.00 -1.06 1.35 -1.66 -2.13 112.91 110.61 107m h THR 39 Ca -0.00 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 107m h THR 39 Cb 0.38 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 107m h THR 39 CO 0.03 0.27 -0.06 0.25 -0.25 0.00 0.00 175.52 175.76 107m h LEU 40 N 0.06 0.00 0.00 3.87 5.85 -1.65 -2.35 115.31 121.09 107m h LEU 40 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 107m h LEU 40 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 107m h LEU 40 CO 0.03 0.06 0.00 -0.62 -0.34 0.00 0.00 178.44 177.57 107m n GLU 41 N -3.45 0.14 0.00 1.25 1.02 -0.80 -2.47 120.64 116.33 107m n GLU 41 Ca -0.02 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 107m n GLU 41 Cb 0.19 -1.50 0.29 0.00 -0.02 0.00 0.00 31.44 30.40 107m n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 107m n LYS 42 N -1.37 0.22 -3.60 3.49 4.76 -0.88 -4.73 118.16 116.04 107m n LYS 42 Ca 0.06 -0.12 -0.40 0.00 -2.87 0.00 0.00 58.31 54.98 107m n LYS 42 Cb 0.15 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.76 107m n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 107m s PHE 43 N -2.87 3.47 0.57 2.13 0.40 -1.03 -4.93 117.98 115.71 107m s PHE 43 Ca 0.15 -2.04 0.26 0.00 -0.60 0.00 0.00 56.93 54.69 107m s PHE 43 Cb 0.18 -3.44 1.57 0.00 0.51 0.00 0.00 43.02 41.84 107m s PHE 43 CO 0.65 -0.98 2.13 -0.44 0.70 0.00 0.00 175.22 177.28 107m h ASP 44 N 8.26 0.00 1.12 1.36 3.32 -1.85 0.49 116.42 129.12 107m h ASP 44 Ca -0.17 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.71 107m h ASP 44 Cb 1.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 107m h ASP 44 CO 0.82 0.00 -0.92 0.03 -1.72 0.00 0.00 179.24 177.45 107m h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.95 -3.37 114.38 115.71 107m h ARG 45 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 107m h ARG 45 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 107m h ARG 45 CO -0.00 0.63 -0.60 1.19 -1.07 0.00 0.00 179.97 180.12 107m n PHE 46 N -3.20 0.00 -0.33 3.04 3.72 -0.56 -4.73 117.46 115.41 107m n PHE 46 Ca -0.02 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.66 107m n PHE 46 Cb 0.85 -0.02 0.52 0.00 -0.94 0.00 0.00 39.48 39.89 107m n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 107m h LYS 47 N 0.00 0.03 0.00 -1.08 3.64 -0.20 -1.08 116.57 117.88 107m h LYS 47 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 107m h LYS 47 Cb 0.29 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 107m h LYS 47 CO 0.00 0.02 0.00 1.12 -2.27 0.00 0.00 179.45 178.32 107m h HIS 48 N 0.03 0.00 -1.96 1.91 2.07 -1.85 -3.46 115.15 111.89 107m h HIS 48 Ca 0.79 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 57.71 107m h HIS 48 Cb 2.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.99 107m h HIS 48 CO -0.11 0.00 1.27 1.28 -3.07 0.00 0.00 177.93 177.30 107m n LEU 49 N -2.77 3.39 0.03 6.12 4.77 -0.41 -4.88 117.00 123.24 107m n LEU 49 Ca 0.03 0.69 -0.22 0.00 -0.03 0.00 0.00 56.01 56.48 107m n LEU 49 Cb 0.42 -1.44 -0.14 0.00 -2.33 0.00 0.00 43.42 39.93 107m n LEU 49 CO 0.30 -0.24 -0.64 0.11 -1.33 0.00 0.00 177.39 175.58 107m h LYS 50 N 11.40 0.32 -5.48 3.23 1.57 -1.89 -3.49 116.57 122.22 107m h LYS 50 Ca -0.44 -0.54 -0.56 0.00 -1.87 0.00 0.00 60.65 57.24 107m h LYS 50 Cb 1.26 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 33.64 107m h LYS 50 CO 0.96 1.26 -0.61 0.95 -0.57 0.00 0.00 179.45 181.44 107m s THR 51 N -2.55 1.65 0.34 -0.16 -4.23 -1.26 -5.03 115.64 104.39 107m s THR 51 Ca -0.19 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.39 107m s THR 51 Cb 0.06 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 71.11 107m s THR 51 CO 0.80 -0.02 1.80 -0.08 -0.54 0.00 0.00 174.62 176.58 107m h GLU 52 N 1.95 0.19 -0.63 3.99 4.81 -1.99 -1.76 114.58 121.15 107m h GLU 52 Ca -0.42 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 107m h GLU 52 Cb 1.24 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 107m h GLU 52 CO 0.75 0.49 0.20 0.00 -0.73 0.00 0.00 179.01 179.72 107m h ALA 53 N 1.51 0.82 -0.36 2.92 0.00 -1.99 -0.58 119.26 121.59 107m h ALA 53 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 107m h ALA 53 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 107m h ALA 53 CO 0.05 0.49 -0.31 0.93 0.00 0.00 0.00 179.25 180.41 107m h GLU 54 N 0.90 0.79 -0.51 0.00 5.08 -1.83 -2.46 114.58 116.56 107m h GLU 54 Ca 0.20 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 107m h GLU 54 Cb 0.29 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 107m h GLU 54 CO -0.01 0.99 0.18 0.52 -1.00 0.00 0.00 179.01 179.69 107m h MET 55 N 0.67 0.78 -0.15 2.33 2.86 -0.99 -1.63 114.93 118.80 107m h MET 55 Ca 0.07 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 107m h MET 55 Cb 0.85 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 107m h MET 55 CO 0.07 0.71 -0.12 0.87 1.06 0.00 0.00 176.91 179.50 107m h LYS 56 N 0.69 0.23 0.00 1.72 1.57 -1.03 -2.67 116.57 117.07 107m h LYS 56 Ca 0.17 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 107m h LYS 56 Cb 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 107m h LYS 56 CO -0.01 0.36 -0.36 0.00 -0.57 0.00 0.00 179.45 178.88 107m h ALA 57 N 1.66 0.83 -2.15 3.86 0.00 -1.16 -3.46 119.26 118.85 107m h ALA 57 Ca 0.05 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 107m h ALA 57 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 107m h ALA 57 CO 0.02 0.11 1.19 0.45 0.00 0.00 0.00 179.25 181.02 107m s SER 58 N -6.01 6.33 0.23 0.00 0.15 -0.64 -4.88 113.70 108.87 107m s SER 58 Ca 0.04 2.01 0.07 0.00 0.70 0.00 0.00 55.95 58.78 107m s SER 58 Cb 0.07 -2.53 0.22 0.00 -1.71 0.00 0.00 66.02 62.06 107m s SER 58 CO 0.71 -1.24 1.53 -0.08 1.20 0.00 0.00 173.24 175.36 107m h GLU 59 N 11.05 0.11 -0.61 5.44 4.57 -1.88 -2.97 114.58 130.29 107m h GLU 59 Ca -0.39 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 57.63 107m h GLU 59 Cb 1.19 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 107m h GLU 59 CO 0.97 0.75 0.12 -0.44 -1.18 0.00 0.00 179.01 179.23 107m h ASP 60 N 0.07 0.95 -0.54 1.04 5.19 -1.96 -1.92 116.42 119.25 107m h ASP 60 Ca -0.01 -0.25 -0.07 0.00 -0.62 0.00 0.00 57.03 56.08 107m h ASP 60 Cb 1.22 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 107m h ASP 60 CO 0.10 0.95 0.07 0.25 -3.12 0.00 0.00 179.24 177.49 107m h LEU 61 N 0.90 0.88 -0.94 1.55 6.46 -1.87 -2.31 115.31 119.98 107m h LEU 61 Ca 0.19 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 107m h LEU 61 Cb 0.40 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 107m h LEU 61 CO 0.01 0.93 0.03 0.50 -0.62 0.00 0.00 178.44 179.29 107m h LYS 62 N 0.80 0.80 -0.52 1.25 3.64 -1.40 -1.57 116.57 119.56 107m h LYS 62 Ca 0.16 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 107m h LYS 62 Cb 0.43 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 107m h LYS 62 CO 0.01 0.79 -0.07 0.87 -2.27 0.00 0.00 179.45 178.78 107m h LYS 63 N 0.76 0.97 0.00 1.90 1.57 -1.13 -2.45 116.57 118.20 107m h LYS 63 Ca 0.15 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 107m h LYS 63 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 107m h LYS 63 CO 0.01 1.02 -0.29 1.25 -0.57 0.00 0.00 179.45 180.87 107m h HIS 64 N 0.84 0.00 -0.39 -1.35 2.76 -1.23 -2.05 115.15 113.74 107m h HIS 64 Ca 0.14 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 107m h HIS 64 Cb 0.63 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 107m h HIS 64 CO 0.05 0.29 -0.26 0.78 -1.30 0.00 0.00 177.93 177.49 107m h GLY 65 N 2.48 0.87 0.94 5.26 0.00 -0.97 -1.37 103.07 110.27 107m h GLY 65 Ca -0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 107m h GLY 65 CO 0.04 0.71 -0.21 -2.08 0.00 0.00 0.00 176.54 174.99 107m h VAL 66 N 0.69 1.30 -0.42 4.60 2.07 -1.15 -1.60 116.25 121.75 107m h VAL 66 Ca 0.09 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.27 107m h VAL 66 Cb 0.79 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 107m h VAL 66 CO 0.07 0.43 0.26 0.74 0.02 0.00 0.00 177.57 179.09 107m h THR 67 N 0.42 1.06 -0.20 2.57 2.02 -1.27 -0.77 112.91 116.74 107m h THR 67 Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 107m h THR 67 Cb 0.76 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 107m h THR 67 CO 0.06 0.10 0.01 0.15 0.37 0.00 0.00 175.52 176.21 107m h PHE 68 N 0.52 0.36 -0.28 3.16 3.57 -1.22 -2.27 116.94 120.78 107m h PHE 68 Ca 0.16 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 107m h PHE 68 Cb -0.01 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 107m h PHE 68 CO -0.06 0.51 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.29 107m h LEU 69 N 0.11 0.48 -0.73 0.59 3.38 -1.16 -1.17 115.31 116.81 107m h LEU 69 Ca 0.06 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 107m h LEU 69 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 107m h LEU 69 CO 0.01 0.67 -0.19 0.74 0.09 0.00 0.00 178.44 179.76 107m h THR 70 N 0.44 1.27 -0.31 0.22 2.02 -1.09 0.52 112.91 115.98 107m h THR 70 Ca 0.08 -1.28 -0.13 0.00 0.77 0.00 0.00 66.41 65.85 107m h THR 70 Cb 0.56 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 107m h THR 70 CO 0.04 0.43 -0.30 0.00 0.37 0.00 0.00 175.52 176.06 107m h ALA 71 N 1.10 0.45 -0.57 6.16 0.00 -0.94 -2.16 119.26 123.30 107m h ALA 71 Ca 0.10 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 107m h ALA 71 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 107m h ALA 71 CO 0.05 0.48 0.04 1.25 0.00 0.00 0.00 179.25 181.07 107m h LEU 72 N 0.50 0.96 -0.97 0.00 5.85 -1.12 -2.62 115.31 117.91 107m h LEU 72 Ca 0.05 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 107m h LEU 72 Cb 0.87 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 107m h LEU 72 CO 0.07 1.01 -0.01 1.23 -0.34 0.00 0.00 178.44 180.40 107m h GLY 73 N 0.88 0.79 1.75 3.75 0.00 -0.86 -1.67 103.07 107.70 107m h GLY 73 Ca 0.17 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 107m h GLY 73 CO 0.02 0.48 -0.20 0.00 0.00 0.00 0.00 176.54 176.84 107m h ALA 74 N 1.30 1.34 -0.07 3.60 0.00 -1.12 -2.10 119.26 122.22 107m h ALA 74 Ca 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 107m h ALA 74 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 107m h ALA 74 CO 0.02 0.45 -0.29 0.82 0.00 0.00 0.00 179.25 180.25 107m h ILE 75 N 0.28 1.43 -0.68 0.00 2.04 -1.09 -3.22 117.51 116.27 107m h ILE 75 Ca 0.05 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 107m h ILE 75 Cb 0.52 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 107m h ILE 75 CO 0.03 0.48 0.31 -0.07 0.00 0.00 0.00 178.15 178.91 107m h LEU 76 N -0.18 0.88 -1.37 1.44 3.38 -1.19 -2.23 115.31 116.04 107m h LEU 76 Ca -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.85 107m h LEU 76 Cb 0.94 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.46 107m h LEU 76 CO 0.06 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.45 107m h LYS 77 N 0.96 0.00 0.00 1.13 1.57 -1.41 -1.45 116.57 117.37 107m h LYS 77 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 107m h LYS 77 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 107m h LYS 77 CO -0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 107m n LYS 78 N -2.58 0.03 -4.00 3.15 4.76 -0.84 -4.94 118.16 113.74 107m n LYS 78 Ca 0.00 0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.24 107m n LYS 78 Cb 0.19 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 107m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 107m n LYS 79 N -1.59 -3.14 0.00 1.97 5.02 -0.55 -1.83 118.16 118.04 107m n LYS 79 Ca 0.06 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 107m n LYS 79 Cb 0.33 -4.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 107m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 107m n GLY 80 N -1.98 3.33 2.73 0.72 0.00 -1.26 -4.96 105.19 103.77 107m n GLY 80 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 107m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 107m n HIS 81 N -1.39 2.64 -0.32 1.61 8.25 -0.76 -4.64 115.22 120.60 107m n HIS 81 Ca 0.00 -2.70 0.06 0.00 -0.26 0.00 0.00 57.72 54.81 107m n HIS 81 Cb 0.00 -1.62 0.15 0.00 1.12 0.00 0.00 29.99 29.65 107m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 107m n HIS 82 N 1.89 0.49 -0.24 4.41 1.44 -1.26 -4.75 115.22 117.20 107m n HIS 82 Ca 0.45 -0.58 0.02 0.00 -2.01 0.00 0.00 57.72 55.61 107m n HIS 82 Cb 0.30 -0.08 0.11 0.00 0.12 0.00 0.00 29.99 30.44 107m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 107m h GLU 83 N 1.73 0.05 -0.46 -1.40 9.09 -2.00 -0.78 114.58 120.81 107m h GLU 83 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 107m h GLU 83 Cb 0.84 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.90 107m h GLU 83 CO 0.04 0.03 0.27 0.00 0.05 0.00 0.00 179.01 179.40 107m h ALA 84 N 1.68 0.59 -0.08 1.06 0.00 -2.00 -2.68 119.26 117.83 107m h ALA 84 Ca 0.36 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 107m h ALA 84 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 107m h ALA 84 CO -0.67 0.09 -0.27 0.93 0.00 0.00 0.00 179.25 179.33 107m h GLU 85 N 0.61 0.15 0.00 0.00 3.07 -1.70 -3.11 114.58 113.60 107m h GLU 85 Ca 0.16 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 107m h GLU 85 Cb 0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 107m h GLU 85 CO -0.03 0.41 -0.58 -0.07 -1.40 0.00 0.00 179.01 177.34 107m h LEU 86 N 0.13 0.00 0.38 1.33 4.07 -0.84 -3.34 115.31 117.04 107m h LEU 86 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 107m h LEU 86 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 107m h LEU 86 CO 0.04 0.58 -0.34 0.11 -1.08 0.00 0.00 178.44 177.75 107m h LYS 87 N 0.00 -0.68 0.00 1.13 1.57 -1.44 -0.14 116.57 117.01 107m h LYS 87 Ca -0.01 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 107m h LYS 87 Cb 1.07 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 107m h LYS 87 CO 0.08 -0.45 -0.15 -1.00 -0.57 0.00 0.00 179.45 177.35 107m h PRO 88 N -0.71 0.00 -0.22 3.15 0.13 -1.75 -2.31 132.00 130.30 107m h PRO 88 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 107m h PRO 88 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 107m h PRO 88 CO -0.02 0.15 -0.24 1.25 -0.23 0.00 0.00 178.00 178.92 107m h LEU 89 N 0.00 0.59 -0.75 1.56 5.85 -1.65 -2.53 115.31 118.37 107m h LEU 89 Ca -0.00 -0.48 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 107m h LEU 89 Cb 0.29 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 107m h LEU 89 CO 0.02 0.95 -0.45 0.00 -0.34 0.00 0.00 178.44 178.62 107m h ALA 90 N 0.65 0.93 -0.07 1.25 0.00 -0.82 -2.20 119.26 119.00 107m h ALA 90 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 107m h ALA 90 Cb 0.79 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 107m h ALA 90 CO 0.06 0.64 -0.01 0.37 0.00 0.00 0.00 179.25 180.32 107m h GLN 91 N 0.32 0.13 -0.44 0.00 4.15 -1.40 -0.96 115.11 116.91 107m h GLN 91 Ca 0.02 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 107m h GLN 91 Cb 0.93 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 107m h GLN 91 CO 0.08 0.42 0.06 0.66 -1.93 0.00 0.00 178.83 178.12 107m h SER 92 N -0.18 0.71 0.81 -0.69 4.64 -1.47 0.06 113.55 117.44 107m h SER 92 Ca 0.02 -0.27 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 107m h SER 92 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 107m h SER 92 CO 0.00 0.80 -0.46 0.45 -0.87 0.00 0.00 176.83 176.75 107m h HIS 93 N 0.60 0.00 0.05 4.77 3.86 -1.43 0.51 115.15 123.52 107m h HIS 93 Ca 0.13 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.13 107m h HIS 93 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 107m h HIS 93 CO 0.03 0.46 -1.14 0.00 0.86 0.00 0.00 177.93 178.14 107m h ALA 94 N 1.54 0.19 0.15 2.45 0.00 -1.13 0.15 119.26 122.61 107m h ALA 94 Ca -0.00 -1.05 -0.35 0.00 0.00 0.00 0.00 54.91 53.51 107m h ALA 94 Cb 1.00 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 107m h ALA 94 CO 0.06 0.66 -1.84 1.15 0.00 0.00 0.00 179.25 179.28 107m h THR 95 N -0.66 0.78 0.00 0.00 2.02 -1.04 -3.27 112.91 110.73 107m h THR 95 Ca -0.27 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.50 107m h THR 95 Cb 1.47 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 107m h THR 95 CO -0.05 0.86 -0.47 1.17 0.37 0.00 0.00 175.52 177.40 107m n LYS 96 N -3.58 0.41 0.10 6.66 4.81 -0.02 -4.62 118.16 121.92 107m n LYS 96 Ca -0.29 0.50 -0.03 0.00 -0.87 0.00 0.00 58.31 57.63 107m n LYS 96 Cb 1.04 -1.61 0.03 0.00 0.02 0.00 0.00 35.03 34.51 107m n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 107m h HIS 97 N -0.91 0.00 -5.59 5.64 3.86 -1.19 -3.49 115.15 113.48 107m h HIS 97 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 107m h HIS 97 Cb 0.47 0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.06 107m h HIS 97 CO -0.20 0.77 -0.66 1.63 0.86 0.00 0.00 177.93 180.33 107m n LYS 98 N -3.50 -1.83 -3.58 2.45 5.02 -0.29 -4.98 118.16 111.45 107m n LYS 98 Ca -0.00 0.96 -0.39 0.00 -2.02 0.00 0.00 58.31 56.86 107m n LYS 98 Cb 0.78 -5.45 -0.11 0.00 -0.02 0.00 0.00 35.03 30.23 107m n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 107m s ILE 99 N -3.29 5.19 0.66 -0.18 -1.09 0.39 -5.01 121.20 117.86 107m s ILE 99 Ca 0.33 -0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.54 107m s ILE 99 Cb -0.06 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 107m s ILE 99 CO 0.77 0.12 1.09 -2.16 -1.23 0.00 0.00 174.94 173.53 107m s PRO 100 N 1.72 2.89 0.50 2.79 0.04 -1.26 -4.75 135.00 136.93 107m s PRO 100 Ca 0.06 1.28 0.18 0.00 0.04 0.00 0.00 61.00 62.56 107m s PRO 100 Cb -0.17 -1.97 1.25 0.00 0.04 0.00 0.00 34.50 33.65 107m s PRO 100 CO 0.10 -1.17 2.05 0.82 0.04 0.00 0.00 177.00 178.85 107m h ILE 101 N -0.06 0.89 -0.94 0.56 1.08 -1.95 -1.37 117.51 115.72 107m h ILE 101 Ca -0.46 -0.04 0.10 0.00 -0.39 0.00 0.00 64.86 64.07 107m h ILE 101 Cb 1.23 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 35.68 107m h ILE 101 CO 0.55 0.02 0.60 0.50 -0.69 0.00 0.00 178.15 179.13 107m h LYS 102 N 0.11 0.93 0.00 2.37 1.63 -1.91 -1.34 116.57 118.36 107m h LYS 102 Ca 0.16 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.81 107m h LYS 102 Cb 0.48 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 107m h LYS 102 CO -0.02 0.61 -0.42 1.88 -3.45 0.00 0.00 179.45 178.06 107m h TYR 103 N 0.96 0.00 0.00 1.91 -1.99 -1.61 -2.42 116.97 113.81 107m h TYR 103 Ca 0.44 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.11 107m h TYR 103 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 107m h TYR 103 CO -0.00 0.42 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.25 107m h LEU 104 N 0.00 0.00 -0.16 3.88 3.38 -1.29 -1.76 115.31 119.35 107m h LEU 104 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 107m h LEU 104 Cb 0.74 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 107m h LEU 104 CO 0.05 0.25 -0.87 -0.33 0.09 0.00 0.00 178.44 177.64 107m h GLU 105 N 0.00 0.63 -0.42 1.13 5.08 -1.29 -2.53 114.58 117.19 107m h GLU 105 Ca -0.00 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 107m h GLU 105 Cb 0.66 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 107m h GLU 105 CO 0.03 1.20 0.20 0.74 -1.00 0.00 0.00 179.01 180.19 107m h PHE 106 N 0.40 0.60 0.00 4.33 0.04 -1.17 -2.48 116.94 118.68 107m h PHE 106 Ca -0.07 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 107m h PHE 106 Cb 1.50 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.45 107m h PHE 106 CO 0.08 0.49 -0.41 0.97 -0.60 0.00 0.00 178.31 178.84 107m h ILE 107 N 0.54 1.07 -0.62 -0.55 2.10 -1.37 -2.53 117.51 116.15 107m h ILE 107 Ca 0.14 -1.54 -0.03 0.00 1.08 0.00 0.00 64.86 64.52 107m h ILE 107 Cb 0.11 1.89 -0.03 0.00 -1.09 0.00 0.00 36.82 37.70 107m h ILE 107 CO -0.02 0.41 0.29 0.28 -1.08 0.00 0.00 178.15 178.03 107m h SER 108 N 0.00 0.82 -0.61 2.19 0.02 -1.08 -0.77 113.55 114.12 107m h SER 108 Ca -0.00 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 107m h SER 108 Cb 0.85 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 107m h SER 108 CO 0.05 0.73 0.09 -0.08 -1.14 0.00 0.00 176.83 176.49 107m h GLU 109 N 0.86 1.02 -0.63 3.45 4.81 -1.28 -2.14 114.58 120.67 107m h GLU 109 Ca 0.21 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 107m h GLU 109 Cb 0.14 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 107m h GLU 109 CO -0.03 0.96 0.18 0.00 -0.73 0.00 0.00 179.01 179.39 107m h ALA 110 N 1.02 0.82 -0.18 2.92 0.00 -1.06 -0.72 119.26 122.07 107m h ALA 110 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 107m h ALA 110 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 107m h ALA 110 CO 0.01 0.51 0.07 0.82 0.00 0.00 0.00 179.25 180.67 107m h ILE 111 N 0.91 1.15 -0.92 0.00 2.04 -1.00 -1.44 117.51 118.25 107m h ILE 111 Ca 0.20 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 107m h ILE 111 Cb 0.31 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 107m h ILE 111 CO -0.00 0.15 0.53 0.40 0.00 0.00 0.00 178.15 179.22 107m h ILE 112 N 0.14 1.26 -0.33 -0.67 2.04 -1.27 -1.54 117.51 117.14 107m h ILE 112 Ca 0.06 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 107m h ILE 112 Cb 0.16 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 107m h ILE 112 CO -0.01 0.28 0.13 -0.74 0.00 0.00 0.00 178.15 177.82 107m h HIS 113 N 1.28 0.50 -0.50 1.37 2.76 -0.88 -1.67 115.15 118.02 107m h HIS 113 Ca 0.33 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.37 107m h HIS 113 Cb -0.01 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 107m h HIS 113 CO 0.01 0.47 -0.03 0.28 -1.30 0.00 0.00 177.93 177.36 107m h VAL 114 N 0.38 1.27 -0.63 5.26 2.07 -1.04 -1.69 116.25 121.88 107m h VAL 114 Ca 0.11 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 107m h VAL 114 Cb 0.19 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 107m h VAL 114 CO -0.01 0.40 0.19 -0.07 0.02 0.00 0.00 177.57 178.10 107m h LEU 115 N 0.76 0.89 -0.86 2.57 3.38 -1.20 -0.49 115.31 120.35 107m h LEU 115 Ca 0.14 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 107m h LEU 115 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 107m h LEU 115 CO 0.03 0.84 -0.13 -0.74 0.09 0.00 0.00 178.44 178.53 107m h HIS 116 N 0.92 0.77 -0.05 1.13 2.76 -1.20 -0.86 115.15 118.62 107m h HIS 116 Ca 0.21 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 107m h HIS 116 Cb 0.27 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 107m h HIS 116 CO 0.02 0.80 -0.09 0.77 -1.30 0.00 0.00 177.93 178.13 107m h SER 117 N 0.64 0.16 1.27 3.26 0.02 -0.50 -3.26 113.55 115.14 107m h SER 117 Ca 0.11 -0.55 -0.05 0.00 -0.84 0.00 0.00 61.79 60.46 107m h SER 117 Cb 0.58 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 107m h SER 117 CO 0.04 0.68 -0.76 0.03 -1.14 0.00 0.00 176.83 175.68 107m h ARG 118 N -0.35 0.00 -1.79 3.45 3.08 -1.15 -3.40 114.38 114.22 107m h ARG 118 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.56 107m h ARG 118 Cb 0.65 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.29 107m h ARG 118 CO 0.02 0.15 -1.00 0.72 -1.07 0.00 0.00 179.97 178.79 107m n HIS 119 N -2.92 1.78 -0.12 3.04 8.25 -0.33 -4.93 115.22 119.99 107m n HIS 119 Ca -0.01 -3.55 0.09 0.00 -0.26 0.00 0.00 57.72 53.99 107m n HIS 119 Cb 0.64 -0.38 0.43 0.00 1.12 0.00 0.00 29.99 31.80 107m n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 107m h PRO 120 N 2.94 0.55 0.00 -0.41 0.13 -1.73 -0.46 132.00 133.02 107m h PRO 120 Ca 0.09 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 107m h PRO 120 Cb 0.89 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 107m h PRO 120 CO 0.63 0.36 -0.46 0.78 -0.23 0.00 0.00 178.00 179.08 107m h GLY 121 N 0.56 0.00 -1.70 1.56 0.00 -1.91 -2.98 103.07 98.60 107m h GLY 121 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 107m h GLY 121 CO -0.09 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.15 107m n ASN 122 N -3.75 3.55 -2.94 0.19 5.03 -0.72 -4.62 115.26 112.00 107m n ASN 122 Ca -0.01 -2.38 -0.17 0.00 0.87 0.00 0.00 54.58 52.89 107m n ASN 122 Cb 0.52 -0.39 -0.01 0.00 -1.02 0.00 0.00 39.78 38.88 107m n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 107m n PHE 123 N 0.33 1.12 -1.20 3.10 7.35 -0.26 -4.70 117.46 123.20 107m n PHE 123 Ca 0.17 -3.45 -0.17 0.00 -0.76 0.00 0.00 57.45 53.25 107m n PHE 123 Cb 0.65 -0.39 0.13 0.00 0.35 0.00 0.00 39.48 40.22 107m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 107m n GLY 124 N 0.06 -1.92 0.23 7.13 0.00 -1.25 -4.64 105.19 104.79 107m n GLY 124 Ca 0.21 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 107m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 107m h ALA 125 N -2.12 0.75 -0.41 4.61 0.00 -1.99 -0.48 119.26 119.63 107m h ALA 125 Ca -0.24 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 107m h ALA 125 Cb 0.68 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 107m h ALA 125 CO 0.16 -0.16 0.13 -0.44 0.00 0.00 0.00 179.25 178.94 107m h ASP 126 N 0.44 0.60 -0.30 0.00 3.32 -1.99 -1.14 116.42 117.34 107m h ASP 126 Ca 0.29 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 107m h ASP 126 Cb 0.31 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 107m h ASP 126 CO -0.27 0.64 -0.03 0.00 -1.72 0.00 0.00 179.24 177.86 107m h ALA 127 N 0.98 1.19 -0.34 3.45 0.00 -1.79 -1.67 119.26 121.07 107m h ALA 127 Ca 0.13 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 107m h ALA 127 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 107m h ALA 127 CO -0.00 0.53 -0.46 0.37 0.00 0.00 0.00 179.25 179.68 107m h GLN 128 N 0.63 0.92 -0.44 0.00 4.15 -0.86 -1.35 115.11 118.15 107m h GLN 128 Ca 0.12 -0.53 -0.06 0.00 0.77 0.00 0.00 58.65 58.95 107m h GLN 128 Cb 0.44 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 107m h GLN 128 CO 0.02 1.18 0.02 0.78 -1.93 0.00 0.00 178.83 178.90 107m h GLY 129 N 0.73 0.76 0.83 2.39 0.00 -1.04 0.35 103.07 107.10 107m h GLY 129 Ca 0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 107m h GLY 129 CO 0.11 0.44 -0.07 0.00 0.00 0.00 0.00 176.54 177.03 107m h ALA 130 N 1.35 0.32 -0.71 3.60 0.00 -1.11 -1.58 119.26 121.14 107m h ALA 130 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 107m h ALA 130 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 107m h ALA 130 CO 0.01 0.12 0.27 1.98 0.00 0.00 0.00 179.25 181.63 107m h MET 131 N 0.18 1.07 -0.52 0.00 -1.53 -0.98 -0.88 114.93 112.27 107m h MET 131 Ca 0.06 -0.20 -0.04 0.00 -3.44 0.00 0.00 59.70 56.07 107m h MET 131 Cb 0.54 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.39 107m h MET 131 CO 0.03 0.89 0.14 -0.97 0.14 0.00 0.00 176.91 177.14 107m h ASN 132 N 1.02 0.72 -0.43 1.39 -1.24 -0.87 -1.10 115.58 115.06 107m h ASN 132 Ca 0.23 -0.11 -0.11 0.00 0.71 0.00 0.00 56.30 57.02 107m h ASN 132 Cb 0.24 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 107m h ASN 132 CO -0.02 0.70 -0.14 0.50 -1.29 0.00 0.00 177.43 177.18 107m h LYS 133 N 0.76 0.91 -0.44 6.67 3.64 -0.77 0.28 116.57 127.62 107m h LYS 133 Ca 0.17 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 107m h LYS 133 Cb 0.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 107m h LYS 133 CO -0.01 0.99 -0.01 0.00 -2.27 0.00 0.00 179.45 178.15 107m h ALA 134 N 1.03 0.59 -0.18 5.00 0.00 -0.64 -1.56 119.26 123.50 107m h ALA 134 Ca 0.12 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 107m h ALA 134 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 107m h ALA 134 CO 0.05 0.39 -0.52 -0.07 0.00 0.00 0.00 179.25 179.10 107m h LEU 135 N 0.62 0.56 -0.65 0.00 3.38 -1.07 -1.86 115.31 116.29 107m h LEU 135 Ca 0.12 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 107m h LEU 135 Cb 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 107m h LEU 135 CO 0.02 0.98 0.13 -0.33 0.09 0.00 0.00 178.44 179.33 107m h GLU 136 N 0.40 1.06 -0.29 1.13 5.08 -0.82 -0.73 114.58 120.41 107m h GLU 136 Ca 0.01 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 107m h GLU 136 Cb 1.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 107m h GLU 136 CO 0.10 0.96 0.16 1.25 -1.00 0.00 0.00 179.01 180.48 107m h LEU 137 N 0.98 0.35 -0.15 1.33 5.85 -1.10 -0.54 115.31 122.04 107m h LEU 137 Ca 0.20 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.87 107m h LEU 137 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 107m h LEU 137 CO 0.01 0.33 0.00 0.15 -0.34 0.00 0.00 178.44 178.59 107m h PHE 138 N 0.35 0.00 -0.66 1.25 3.57 -1.12 -2.08 116.94 118.25 107m h PHE 138 Ca 0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 107m h PHE 138 Cb 0.05 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 107m h PHE 138 CO -0.03 -0.01 0.26 0.00 -2.23 0.00 0.00 178.31 176.29 107m h ARG 139 N 0.06 0.97 -0.30 1.11 3.08 -0.97 -1.17 114.38 117.16 107m h ARG 139 Ca 0.07 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 107m h ARG 139 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 107m h ARG 139 CO -0.11 0.80 0.14 -0.22 -1.07 0.00 0.00 179.97 179.50 107m h LYS 140 N 0.95 0.43 -0.42 0.04 3.64 -0.81 -1.21 116.57 119.19 107m h LYS 140 Ca 0.22 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 107m h LYS 140 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 107m h LYS 140 CO -0.02 0.42 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.90 107m h ASP 141 N 0.34 0.89 -0.60 4.20 3.32 -1.16 -2.18 116.42 121.23 107m h ASP 141 Ca 0.10 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 107m h ASP 141 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 107m h ASP 141 CO -0.01 1.08 0.17 0.40 -1.72 0.00 0.00 179.24 179.16 107m h ILE 142 N 0.75 1.25 -0.24 0.35 1.08 -1.13 -1.78 117.51 117.78 107m h ILE 142 Ca 0.10 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 63.64 107m h ILE 142 Cb 0.78 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 107m h ILE 142 CO 0.06 0.32 -0.12 0.00 -0.69 0.00 0.00 178.15 177.73 107m h ALA 143 N 1.05 1.35 -0.29 1.87 0.00 -1.11 0.52 119.26 122.65 107m h ALA 143 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 107m h ALA 143 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 107m h ALA 143 CO -0.00 0.44 -0.27 0.00 0.00 0.00 0.00 179.25 179.42 107m h ALA 144 N 1.51 0.99 -0.05 0.00 0.00 -0.99 -2.24 119.26 118.48 107m h ALA 144 Ca 0.07 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 107m h ALA 144 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 107m h ALA 144 CO 0.02 0.60 -0.81 0.87 0.00 0.00 0.00 179.25 179.93 107m h LYS 145 N 0.51 0.40 -0.40 0.00 6.56 -0.73 -2.85 116.57 120.05 107m h LYS 145 Ca 0.07 -0.37 0.03 0.00 -1.06 0.00 0.00 60.65 59.32 107m h LYS 145 Cb 0.73 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.45 107m h LYS 145 CO 0.06 1.02 0.22 1.88 -2.06 0.00 0.00 179.45 180.56 107m h TYR 146 N 0.25 0.40 0.03 -1.35 -1.99 -0.64 0.22 116.97 113.90 107m h TYR 146 Ca -0.05 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.71 107m h TYR 146 Cb 1.41 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 40.00 107m h TYR 146 CO 0.05 0.22 -0.10 -0.22 -0.00 0.00 0.00 178.16 178.11 107m h LYS 147 N 0.44 -0.18 -0.72 4.88 3.64 -1.39 -0.07 116.57 123.17 107m h LYS 147 Ca 0.17 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 107m h LYS 147 Cb 0.05 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 107m h LYS 147 CO -0.10 -0.12 0.48 0.93 -2.27 0.00 0.00 179.45 178.37 107m h GLU 148 N -0.19 0.93 0.00 1.90 5.08 -1.22 -1.08 114.58 120.00 107m h GLU 148 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 107m h GLU 148 Cb 0.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.26 107m h GLU 148 CO -0.08 0.61 0.00 1.28 -1.00 0.00 0.00 179.01 179.82 107m n LEU 149 N -4.43 0.00 0.00 1.33 4.77 0.03 -4.90 117.00 113.80 107m n LEU 149 Ca 0.08 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 107m n LEU 149 Cb 0.05 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 107m n LEU 149 CO 0.36 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 107m n GLY 150 N 0.99 0.77 0.00 -0.72 0.00 -0.41 -5.01 105.19 100.82 107m n GLY 150 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 107m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 107m n TYR 151 N -2.39 0.00 -2.59 1.61 9.36 -0.11 -5.00 117.16 118.04 107m n TYR 151 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 107m n TYR 151 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 107m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 107m n GLN 152 N -0.58 -2.76 0.00 2.98 -0.06 -1.17 -4.84 117.38 110.95 107m n GLN 152 Ca 0.00 2.33 0.12 0.00 -2.00 0.00 0.00 57.00 57.45 107m n GLN 152 Cb 0.00 -4.93 0.12 0.00 -4.06 0.00 0.00 30.24 21.37 107m n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27