#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 103m s VAL 1 N 0.00 0.73 0.19 3.17 1.01 -1.26 -5.04 120.40 119.20 103m s VAL 1 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 103m s VAL 1 Cb 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 103m s VAL 1 CO 0.00 0.24 0.46 -0.76 0.00 0.00 0.00 175.10 175.04 103m s LEU 2 N 0.39 4.22 0.65 3.92 1.02 -1.26 -5.09 118.68 122.53 103m s LEU 2 Ca -0.06 0.73 -0.09 0.00 0.02 0.00 0.00 54.13 54.73 103m s LEU 2 Cb -0.10 -3.48 0.01 0.00 0.02 0.00 0.00 46.19 42.64 103m s LEU 2 CO 0.01 -0.01 1.01 -0.94 0.02 0.00 0.00 176.35 176.43 103m s SER 3 N -2.44 5.50 0.43 2.29 1.04 -1.26 -4.91 113.70 114.35 103m s SER 3 Ca 0.44 0.94 0.09 0.00 0.48 0.00 0.00 55.95 57.90 103m s SER 3 Cb -0.12 -1.82 0.93 0.00 0.10 0.00 0.00 66.02 65.11 103m s SER 3 CO 0.23 -1.22 2.06 -0.08 0.98 0.00 0.00 173.24 175.21 103m h GLU 4 N -0.44 0.40 -0.63 4.02 4.57 -1.99 -1.96 114.58 118.55 103m h GLU 4 Ca -0.45 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.66 103m h GLU 4 Cb 1.26 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 103m h GLU 4 CO 0.62 0.29 0.24 0.78 -1.18 0.00 0.00 179.01 179.77 103m h GLY 5 N 0.47 1.03 1.11 1.92 0.00 -1.99 -0.54 103.07 105.07 103m h GLY 5 Ca 0.11 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 103m h GLY 5 CO -0.02 0.53 -0.21 0.83 0.00 0.00 0.00 176.54 177.67 103m h GLU 6 N 0.89 1.01 -0.72 4.80 5.08 -1.76 -2.31 114.58 121.58 103m h GLU 6 Ca 0.21 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 103m h GLU 6 Cb 0.22 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 103m h GLU 6 CO -0.02 1.11 0.29 -1.49 -1.00 0.00 0.00 179.01 177.91 103m h TRP 7 N 0.87 1.08 -0.79 4.33 4.06 -1.17 -1.85 115.95 122.48 103m h TRP 7 Ca 0.11 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 103m h TRP 7 Cb 0.80 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 103m h TRP 7 CO 0.05 0.82 0.43 1.96 -3.56 0.00 0.00 178.44 178.15 103m h GLN 8 N 1.05 1.09 -0.62 0.49 1.08 -0.86 0.11 115.11 117.45 103m h GLN 8 Ca 0.24 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 103m h GLN 8 Cb 0.20 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 103m h GLN 8 CO -0.02 0.81 0.11 -0.07 -0.95 0.00 0.00 178.83 178.70 103m h LEU 9 N 1.09 0.95 -0.02 1.46 3.38 -0.97 -0.52 115.31 120.68 103m h LEU 9 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 103m h LEU 9 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 103m h LEU 9 CO -0.05 0.95 -0.01 0.58 0.09 0.00 0.00 178.44 180.01 103m h VAL 10 N 0.95 1.31 0.00 1.22 2.07 -0.90 -2.97 116.25 117.93 103m h VAL 10 Ca 0.19 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 103m h VAL 10 Cb 0.40 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 103m h VAL 10 CO 0.01 0.25 -0.20 -0.07 0.02 0.00 0.00 177.57 177.57 103m h LEU 11 N -0.34 0.00 -0.19 2.57 3.38 -0.73 -1.41 115.31 118.60 103m h LEU 11 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 103m h LEU 11 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 103m h LEU 11 CO 0.00 0.20 -0.27 -0.74 0.09 0.00 0.00 178.44 177.73 103m h HIS 12 N 0.00 0.63 -0.01 1.13 2.76 -1.08 -1.83 115.15 116.75 103m h HIS 12 Ca -0.00 -0.21 -0.17 0.00 -2.20 0.00 0.00 60.37 57.79 103m h HIS 12 Cb 0.67 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 103m h HIS 12 CO 0.00 0.91 -0.77 -0.24 -1.30 0.00 0.00 177.93 176.52 103m h VAL 13 N 0.17 1.49 -0.14 5.26 3.04 -1.37 -3.11 116.25 121.58 103m h VAL 13 Ca 0.02 -2.47 -0.06 0.00 -1.01 0.00 0.00 66.70 63.18 103m h VAL 13 Cb 0.84 2.34 -0.01 0.00 -2.01 0.00 0.00 31.29 32.45 103m h VAL 13 CO 0.06 0.72 -0.17 -0.25 -1.01 0.00 0.00 177.57 176.92 103m h TRP 14 N 0.08 0.24 -0.06 3.17 2.91 -1.19 -1.65 115.95 119.45 103m h TRP 14 Ca -0.02 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.93 103m h TRP 14 Cb 1.36 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.94 103m h TRP 14 CO 0.02 0.39 -0.15 0.00 -1.03 0.00 0.00 178.44 177.68 103m h ALA 15 N 1.62 1.64 -0.08 2.65 0.00 -1.26 -0.91 119.26 122.92 103m h ALA 15 Ca 0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 103m h ALA 15 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 103m h ALA 15 CO 0.03 0.27 -0.52 0.87 0.00 0.00 0.00 179.25 179.90 103m h LYS 16 N 0.09 0.48 -0.67 0.00 1.79 -1.38 -3.20 116.57 113.69 103m h LYS 16 Ca 0.02 -0.42 0.08 0.00 -2.18 0.00 0.00 60.65 58.15 103m h LYS 16 Cb 0.32 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.00 103m h LYS 16 CO 0.02 1.06 0.34 0.28 -1.08 0.00 0.00 179.45 180.07 103m h VAL 17 N 0.05 0.88 0.00 0.50 2.07 -0.84 -2.04 116.25 116.87 103m h VAL 17 Ca -0.04 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.27 103m h VAL 17 Cb 1.18 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 103m h VAL 17 CO 0.11 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.18 103m n GLU 18 N -4.86 0.09 0.26 1.57 1.02 -0.40 -1.40 120.64 116.91 103m n GLU 18 Ca 0.10 0.49 0.16 0.00 -0.02 0.00 0.00 57.16 57.89 103m n GLU 18 Cb 0.24 -1.73 0.60 0.00 -0.02 0.00 0.00 31.44 30.53 103m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 103m h ALA 19 N 2.14 1.00 -1.16 0.62 0.00 -1.39 -3.35 119.26 117.11 103m h ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 103m h ALA 19 Cb 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.65 103m h ALA 19 CO 0.00 0.00 -0.76 -3.47 0.00 0.00 0.00 179.25 175.02 103m n ASP 20 N -3.03 -1.68 -0.17 0.00 2.03 -0.50 -5.02 116.55 108.19 103m n ASP 20 Ca 0.01 -2.91 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 103m n ASP 20 Cb 0.33 0.69 0.02 0.00 -0.72 0.00 0.00 41.12 41.44 103m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 103m h VAL 21 N 3.28 1.17 -0.68 5.18 2.07 -1.69 -2.38 116.25 123.20 103m h VAL 21 Ca 0.02 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 103m h VAL 21 Cb 0.98 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 103m h VAL 21 CO 0.32 0.18 0.24 0.00 0.02 0.00 0.00 177.57 178.33 103m h ALA 22 N 1.12 0.89 -0.47 1.67 0.00 -1.90 -1.01 119.26 119.55 103m h ALA 22 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 103m h ALA 22 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 103m h ALA 22 CO -0.03 0.54 0.01 0.78 0.00 0.00 0.00 179.25 180.55 103m h GLY 23 N 0.98 0.89 1.25 0.00 0.00 -1.92 -2.11 103.07 102.16 103m h GLY 23 Ca 0.22 -0.65 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 103m h GLY 23 CO -0.01 0.59 -0.32 0.45 0.00 0.00 0.00 176.54 177.25 103m h HIS 24 N 0.68 0.98 -0.68 5.60 3.86 -1.35 -2.18 115.15 122.06 103m h HIS 24 Ca 0.13 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 103m h HIS 24 Cb 0.49 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 103m h HIS 24 CO 0.04 1.04 0.30 0.78 0.86 0.00 0.00 177.93 180.95 103m h GLY 25 N 0.90 1.08 0.81 2.45 0.00 -1.10 -1.46 103.07 105.75 103m h GLY 25 Ca 0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 103m h GLY 25 CO 0.08 0.54 -0.09 -1.61 0.00 0.00 0.00 176.54 175.46 103m h GLN 26 N 0.96 -0.23 -0.62 4.80 4.15 -1.35 -2.07 115.11 120.75 103m h GLN 26 Ca 0.23 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.76 103m h GLN 26 Cb 0.17 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 103m h GLN 26 CO -0.02 -0.00 0.26 -0.44 -1.93 0.00 0.00 178.83 176.69 103m h ASP 27 N -0.44 0.29 -0.31 -0.69 3.32 -1.23 -1.39 116.42 115.96 103m h ASP 27 Ca -0.02 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 103m h ASP 27 Cb 0.34 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 103m h ASP 27 CO 0.04 0.17 0.09 0.40 -1.72 0.00 0.00 179.24 178.22 103m h ILE 28 N 0.46 1.21 -0.30 0.35 2.04 -1.22 -1.12 117.51 118.93 103m h ILE 28 Ca 0.31 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 103m h ILE 28 Cb 0.36 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 103m h ILE 28 CO -0.29 0.23 -0.28 -0.07 0.00 0.00 0.00 178.15 177.75 103m h LEU 29 N 0.35 0.61 -0.35 1.44 3.38 -1.07 -0.39 115.31 119.29 103m h LEU 29 Ca 0.10 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 103m h LEU 29 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 103m h LEU 29 CO -0.00 0.87 -0.26 0.40 0.09 0.00 0.00 178.44 179.54 103m h ILE 30 N 0.52 1.29 -0.41 1.22 2.04 -1.25 -1.05 117.51 119.88 103m h ILE 30 Ca 0.07 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.53 103m h ILE 30 Cb 0.75 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 103m h ILE 30 CO 0.06 0.46 0.25 -0.09 0.00 0.00 0.00 178.15 178.83 103m h ARG 31 N 0.57 0.48 0.42 2.37 9.65 -0.95 -1.04 114.38 125.89 103m h ARG 31 Ca 0.07 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 103m h ARG 31 Cb 0.83 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 103m h ARG 31 CO 0.07 0.32 -0.28 1.25 2.80 0.00 0.00 179.97 184.13 103m h LEU 32 N 0.50 -0.72 -1.49 3.80 5.85 -0.84 -1.07 115.31 121.34 103m h LEU 32 Ca 0.16 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 103m h LEU 32 Cb -0.01 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 103m h LEU 32 CO -0.07 -0.44 0.19 -0.26 -0.34 0.00 0.00 178.44 177.53 103m h PHE 33 N -0.68 0.52 0.09 1.25 0.04 -1.08 0.16 116.94 117.24 103m h PHE 33 Ca -0.04 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.44 103m h PHE 33 Cb 0.57 -0.17 0.03 0.00 2.20 0.00 0.00 35.95 38.58 103m h PHE 33 CO -0.11 0.38 -1.13 0.87 -0.60 0.00 0.00 178.31 177.72 103m h LYS 34 N 0.54 0.61 -0.41 1.51 1.57 -1.07 -2.67 116.57 116.65 103m h LYS 34 Ca 0.14 -0.78 -0.15 0.00 -1.87 0.00 0.00 60.65 57.99 103m h LYS 34 Cb 0.05 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 103m h LYS 34 CO -0.02 1.34 -0.35 0.77 -0.57 0.00 0.00 179.45 180.63 103m h SER 35 N 0.24 1.02 -2.48 0.86 0.02 -0.94 -3.39 113.55 108.87 103m h SER 35 Ca -0.17 -0.45 -0.60 0.00 -0.84 0.00 0.00 61.79 59.74 103m h SER 35 Cb 1.81 -0.29 -0.39 0.00 0.14 0.00 0.00 62.40 63.68 103m h SER 35 CO 0.22 1.25 -0.91 1.41 -1.14 0.00 0.00 176.83 177.66 103m n HIS 36 N -4.07 -0.21 0.26 3.45 8.25 0.55 -4.99 115.22 118.46 103m n HIS 36 Ca -0.02 -3.48 0.18 0.00 -0.26 0.00 0.00 57.72 54.14 103m n HIS 36 Cb 0.53 0.11 0.87 0.00 1.12 0.00 0.00 29.99 32.62 103m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 103m h PRO 37 N 5.57 0.00 -0.07 -0.41 0.11 -1.67 -1.36 132.00 134.17 103m h PRO 37 Ca 0.25 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 103m h PRO 37 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 103m h PRO 37 CO 0.43 0.00 -0.19 1.05 -0.21 0.00 0.00 178.00 179.08 103m h GLU 38 N 0.00 0.11 0.00 1.05 9.09 -1.93 -2.15 114.58 120.75 103m h GLU 38 Ca 0.06 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.40 103m h GLU 38 Cb 0.58 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 103m h GLU 38 CO -0.00 0.31 -0.19 1.79 0.05 0.00 0.00 179.01 180.97 103m h THR 39 N 0.11 0.87 -0.06 -1.06 1.35 -1.60 -2.40 112.91 110.12 103m h THR 39 Ca 0.02 -0.71 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 103m h THR 39 Cb 0.40 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 103m h THR 39 CO 0.03 0.18 -0.13 0.25 -0.25 0.00 0.00 175.52 175.60 103m h LEU 40 N 0.00 0.09 -2.07 3.87 5.85 -1.54 -2.28 115.31 119.22 103m h LEU 40 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 103m h LEU 40 Cb 0.40 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 103m h LEU 40 CO 0.02 0.23 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.94 103m h GLU 41 N 0.09 0.00 0.00 1.25 5.08 -1.53 -1.94 114.58 117.53 103m h GLU 41 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 103m h GLU 41 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 103m h GLU 41 CO 0.02 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 103m n LYS 42 N -3.86 0.08 -3.72 2.33 4.76 -0.86 -4.47 118.16 112.42 103m n LYS 42 Ca -0.02 0.33 -0.38 0.00 -2.87 0.00 0.00 58.31 55.37 103m n LYS 42 Cb 0.18 -1.66 -0.12 0.00 -1.84 0.00 0.00 35.03 31.59 103m n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 103m s PHE 43 N -3.14 3.34 -0.14 2.13 0.08 -0.73 -4.93 117.98 114.59 103m s PHE 43 Ca 0.05 -1.68 0.29 0.00 0.12 0.00 0.00 56.93 55.72 103m s PHE 43 Cb 0.09 -2.64 1.25 0.00 -0.57 0.00 0.00 43.02 41.15 103m s PHE 43 CO 0.31 -0.82 1.87 -0.44 -0.10 0.00 0.00 175.22 176.04 103m h ASP 44 N 8.23 0.00 0.96 1.36 3.32 -1.84 -0.08 116.42 128.36 103m h ASP 44 Ca -0.21 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 103m h ASP 44 Cb 1.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 103m h ASP 44 CO 0.66 0.00 -1.01 0.03 -1.72 0.00 0.00 179.24 177.20 103m h ARG 45 N 0.00 0.03 0.00 3.56 3.08 -1.93 -3.37 114.38 115.74 103m h ARG 45 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 103m h ARG 45 Cb 0.38 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.45 103m h ARG 45 CO 0.00 1.01 -0.46 1.19 -1.07 0.00 0.00 179.97 180.65 103m n PHE 46 N -3.38 0.00 -0.27 3.04 3.72 -1.00 -4.77 117.46 114.80 103m n PHE 46 Ca -0.01 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.64 103m n PHE 46 Cb 0.94 -0.02 0.46 0.00 -0.94 0.00 0.00 39.48 39.92 103m n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 103m n LYS 47 N -1.24 -0.05 0.17 -1.08 4.81 -0.08 -0.99 118.16 119.70 103m n LYS 47 Ca 0.01 1.18 0.04 0.00 -0.87 0.00 0.00 58.31 58.67 103m n LYS 47 Cb 0.12 -2.09 0.25 0.00 0.02 0.00 0.00 35.03 33.33 103m n LYS 47 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 103m h HIS 48 N 0.00 0.00 -1.89 5.64 2.07 -1.86 -3.46 115.15 115.65 103m h HIS 48 Ca 0.69 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 57.58 103m h HIS 48 Cb 1.79 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.78 103m h HIS 48 CO -0.07 0.44 1.13 1.28 -3.07 0.00 0.00 177.93 177.64 103m n LEU 49 N -3.50 3.22 -0.05 6.12 4.77 -0.16 -4.89 117.00 122.50 103m n LEU 49 Ca 0.00 0.90 -0.15 0.00 -0.03 0.00 0.00 56.01 56.73 103m n LEU 49 Cb 0.57 -1.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.18 103m n LEU 49 CO 0.38 -0.18 -0.93 0.29 -1.33 0.00 0.00 177.39 175.63 103m n LYS 50 N 6.77 0.69 -4.49 3.23 5.02 -1.26 -5.01 118.16 123.11 103m n LYS 50 Ca 0.25 0.19 -0.23 0.00 -2.02 0.00 0.00 58.31 56.50 103m n LYS 50 Cb 0.28 -1.65 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 103m n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 103m s THR 51 N -2.55 1.53 0.32 -0.18 -4.23 -1.26 -5.03 115.64 104.25 103m s THR 51 Ca -0.18 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.34 103m s THR 51 Cb 0.07 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.28 103m s THR 51 CO 0.76 -0.08 1.81 -0.08 -0.54 0.00 0.00 174.62 176.48 103m h GLU 52 N 2.07 0.44 -0.78 3.99 4.81 -1.99 -1.40 114.58 121.72 103m h GLU 52 Ca -0.41 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 103m h GLU 52 Cb 1.24 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 103m h GLU 52 CO 0.72 0.58 0.32 0.00 -0.73 0.00 0.00 179.01 179.90 103m h ALA 53 N 1.44 1.01 -0.43 2.92 0.00 -1.99 0.18 119.26 122.40 103m h ALA 53 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 103m h ALA 53 Cb 0.50 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 103m h ALA 53 CO 0.03 0.63 -0.12 0.93 0.00 0.00 0.00 179.25 180.71 103m h GLU 54 N 1.12 0.79 -0.37 0.00 5.08 -1.78 -2.57 114.58 116.86 103m h GLU 54 Ca 0.26 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 103m h GLU 54 Cb 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 103m h GLU 54 CO -0.02 0.88 0.02 0.52 -1.00 0.00 0.00 179.01 179.41 103m h MET 55 N 0.71 0.63 0.00 2.33 2.86 -0.63 -2.52 114.93 118.31 103m h MET 55 Ca 0.12 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 103m h MET 55 Cb 0.61 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 103m h MET 55 CO 0.04 0.72 -0.15 0.87 1.06 0.00 0.00 176.91 179.46 103m h LYS 56 N 0.46 0.00 0.00 1.72 1.57 -0.88 -2.38 116.57 117.05 103m h LYS 56 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 103m h LYS 56 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 103m h LYS 56 CO 0.01 0.15 -0.71 0.00 -0.57 0.00 0.00 179.45 178.33 103m h ALA 57 N 1.85 0.56 -2.11 3.86 0.00 -1.29 -3.46 119.26 118.68 103m h ALA 57 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 103m h ALA 57 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 103m h ALA 57 CO 0.02 0.00 1.09 0.45 0.00 0.00 0.00 179.25 180.81 103m s SER 58 N -4.51 6.51 0.24 0.00 0.15 -0.90 -4.89 113.70 110.30 103m s SER 58 Ca 0.05 1.79 0.06 0.00 0.70 0.00 0.00 55.95 58.55 103m s SER 58 Cb 0.12 -2.53 0.26 0.00 -1.71 0.00 0.00 66.02 62.16 103m s SER 58 CO 0.74 -1.12 1.56 -0.08 1.20 0.00 0.00 173.24 175.53 103m h GLU 59 N 10.16 0.15 -0.57 5.44 4.57 -1.89 -2.74 114.58 129.70 103m h GLU 59 Ca -0.34 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 57.63 103m h GLU 59 Cb 1.15 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 103m h GLU 59 CO 0.99 0.74 -0.03 -0.44 -1.18 0.00 0.00 179.01 179.09 103m h ASP 60 N 0.11 1.01 -0.37 1.04 5.19 -1.96 -2.28 116.42 119.15 103m h ASP 60 Ca -0.01 -0.32 -0.09 0.00 -0.62 0.00 0.00 57.03 56.00 103m h ASP 60 Cb 1.15 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 103m h ASP 60 CO 0.09 1.08 -0.06 0.25 -3.12 0.00 0.00 179.24 177.48 103m h LEU 61 N 0.91 0.77 -0.73 1.55 6.46 -1.86 -1.81 115.31 120.59 103m h LEU 61 Ca 0.16 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.61 103m h LEU 61 Cb 0.58 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 103m h LEU 61 CO 0.03 0.88 -0.08 0.50 -0.62 0.00 0.00 178.44 179.16 103m h LYS 62 N 0.73 0.89 -0.34 1.25 3.64 -1.33 -1.69 116.57 119.72 103m h LYS 62 Ca 0.13 -0.29 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 103m h LYS 62 Cb 0.53 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 103m h LYS 62 CO 0.03 0.93 -0.28 0.87 -2.27 0.00 0.00 179.45 178.73 103m h LYS 63 N 0.81 0.70 -0.79 1.90 1.57 -1.12 -2.52 116.57 117.12 103m h LYS 63 Ca 0.14 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 103m h LYS 63 Cb 0.59 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 103m h LYS 63 CO 0.04 0.91 0.32 0.00 -0.57 0.00 0.00 179.45 180.14 103m h ALA 64 N 1.08 1.02 -0.67 3.86 0.00 -1.09 -1.75 119.26 121.72 103m h ALA 64 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 103m h ALA 64 Cb 0.79 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 103m h ALA 64 CO 0.06 0.64 0.40 0.78 0.00 0.00 0.00 179.25 181.13 103m h GLY 65 N 1.14 0.97 1.03 0.00 0.00 -1.03 -1.19 103.07 103.98 103m h GLY 65 Ca 0.26 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 103m h GLY 65 CO -0.02 0.40 0.16 -2.08 0.00 0.00 0.00 176.54 174.99 103m h VAL 66 N 0.91 1.25 -0.40 4.60 2.07 -1.06 -1.94 116.25 121.68 103m h VAL 66 Ca 0.24 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 103m h VAL 66 Cb -0.02 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 103m h VAL 66 CO -0.04 0.34 0.24 0.74 0.02 0.00 0.00 177.57 178.87 103m h THR 67 N 0.91 1.13 -0.15 2.57 2.02 -0.99 0.11 112.91 118.50 103m h THR 67 Ca 0.20 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 103m h THR 67 Cb 0.34 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 103m h THR 67 CO 0.00 0.13 0.04 0.58 0.37 0.00 0.00 175.52 176.63 103m h VAL 68 N 0.53 1.20 -0.51 3.16 2.07 -1.11 -2.59 116.25 119.01 103m h VAL 68 Ca 0.14 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 103m h VAL 68 Cb -0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 103m h VAL 68 CO -0.03 0.19 -0.03 -0.07 0.02 0.00 0.00 177.57 177.66 103m h LEU 69 N 0.06 0.85 -0.42 2.57 3.38 -1.22 -1.05 115.31 119.48 103m h LEU 69 Ca 0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 103m h LEU 69 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 103m h LEU 69 CO 0.00 0.93 0.06 0.74 0.09 0.00 0.00 178.44 180.26 103m h THR 70 N 0.80 1.24 -0.52 0.22 2.02 -0.98 0.14 112.91 115.84 103m h THR 70 Ca 0.15 -0.88 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 103m h THR 70 Cb 0.52 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 103m h THR 70 CO 0.03 0.31 -0.13 0.00 0.37 0.00 0.00 175.52 176.09 103m h ALA 71 N 0.93 0.72 -0.49 6.16 0.00 -1.31 -1.54 119.26 123.74 103m h ALA 71 Ca 0.13 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 103m h ALA 71 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 103m h ALA 71 CO 0.01 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.20 103m h LEU 72 N 0.88 0.81 -0.93 0.00 5.85 -1.08 -2.42 115.31 118.41 103m h LEU 72 Ca 0.13 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.58 103m h LEU 72 Cb 0.70 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 103m h LEU 72 CO 0.05 0.89 0.61 1.23 -0.34 0.00 0.00 178.44 180.89 103m h GLY 73 N 0.70 1.32 1.43 3.75 0.00 -0.58 -0.70 103.07 108.98 103m h GLY 73 Ca 0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 103m h GLY 73 CO 0.02 0.49 0.12 0.00 0.00 0.00 0.00 176.54 177.16 103m h ALA 74 N 1.34 1.31 -0.02 3.60 0.00 -1.04 -2.07 119.26 122.38 103m h ALA 74 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 103m h ALA 74 Cb -0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 103m h ALA 74 CO -0.07 0.49 -0.01 0.82 0.00 0.00 0.00 179.25 180.48 103m h ILE 75 N 0.70 1.34 -0.80 0.00 2.04 -0.80 -3.21 117.51 116.79 103m h ILE 75 Ca 0.16 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 65.00 103m h ILE 75 Cb 0.26 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 103m h ILE 75 CO -0.00 0.27 0.53 -0.07 0.00 0.00 0.00 178.15 178.88 103m h LEU 76 N -0.39 0.89 -1.12 1.44 3.38 -1.02 -1.85 115.31 116.64 103m h LEU 76 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 103m h LEU 76 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.98 103m h LEU 76 CO 0.00 0.63 0.00 0.11 0.09 0.00 0.00 178.44 179.27 103m h LYS 77 N 1.04 0.00 0.00 1.13 1.57 -1.38 -1.01 116.57 117.92 103m h LYS 77 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 103m h LYS 77 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 103m h LYS 77 CO -0.08 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.43 103m n LYS 78 N -2.34 0.26 -3.82 3.15 4.76 -0.69 -4.95 118.16 114.54 103m n LYS 78 Ca 0.00 0.22 -0.25 0.00 -2.87 0.00 0.00 58.31 55.42 103m n LYS 78 Cb 0.16 -1.81 0.02 0.00 -1.84 0.00 0.00 35.03 31.56 103m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 103m n LYS 79 N -2.27 -4.67 0.00 1.97 5.02 -0.38 -2.26 118.16 115.57 103m n LYS 79 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 103m n LYS 79 Cb 0.43 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 103m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 103m n GLY 80 N -1.68 3.04 2.77 0.72 0.00 -1.26 -4.96 105.19 103.82 103m n GLY 80 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 103m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 103m n HIS 81 N -0.90 2.68 -0.38 1.61 8.25 -0.96 -4.63 115.22 120.89 103m n HIS 81 Ca 0.00 -2.73 0.04 0.00 -0.26 0.00 0.00 57.72 54.77 103m n HIS 81 Cb 0.00 -1.72 0.08 0.00 1.12 0.00 0.00 29.99 29.47 103m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 103m n HIS 82 N 2.48 0.13 -0.24 4.41 1.44 -1.26 -4.76 115.22 117.42 103m n HIS 82 Ca 0.43 -0.66 0.05 0.00 -2.01 0.00 0.00 57.72 55.53 103m n HIS 82 Cb 0.32 -0.09 0.17 0.00 0.12 0.00 0.00 29.99 30.50 103m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 103m h GLU 83 N 0.40 0.22 -0.82 -1.40 9.09 -2.00 -1.09 114.58 118.98 103m h GLU 83 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 103m h GLU 83 Cb 0.73 -0.05 -0.04 0.00 -1.65 0.00 0.00 28.75 27.74 103m h GLU 83 CO 0.02 0.15 0.48 0.00 0.05 0.00 0.00 179.01 179.70 103m h ALA 84 N 1.61 1.04 -0.01 1.06 0.00 -2.00 -2.57 119.26 118.39 103m h ALA 84 Ca 0.40 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 103m h ALA 84 Cb 0.69 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 103m h ALA 84 CO -0.53 0.52 -0.53 0.93 0.00 0.00 0.00 179.25 179.65 103m h GLU 85 N 1.13 0.04 -0.06 0.00 3.07 -1.71 -3.25 114.58 113.80 103m h GLU 85 Ca 0.29 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 103m h GLU 85 Cb -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 103m h GLU 85 CO -0.05 0.56 -0.61 -0.07 -1.40 0.00 0.00 179.01 177.43 103m h LEU 86 N 0.03 0.23 0.26 1.33 4.07 -0.82 -3.35 115.31 117.06 103m h LEU 86 Ca -0.00 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 57.83 103m h LEU 86 Cb 0.95 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 103m h LEU 86 CO 0.07 0.78 -0.42 0.11 -1.08 0.00 0.00 178.44 177.91 103m h LYS 87 N 0.15 -0.72 0.00 1.13 1.57 -1.55 0.13 116.57 117.27 103m h LYS 87 Ca -0.01 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 103m h LYS 87 Cb 1.11 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 103m h LYS 87 CO 0.09 -0.48 -0.26 -1.00 -0.57 0.00 0.00 179.45 177.23 103m h PRO 88 N -0.75 0.00 -0.13 3.15 0.13 -1.77 -1.99 132.00 130.64 103m h PRO 88 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 103m h PRO 88 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 103m h PRO 88 CO -0.16 0.26 -0.09 1.25 -0.23 0.00 0.00 178.00 179.03 103m h LEU 89 N 0.00 0.31 -0.68 1.56 5.85 -1.61 -2.32 115.31 118.42 103m h LEU 89 Ca -0.00 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 103m h LEU 89 Cb 0.48 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 103m h LEU 89 CO 0.03 0.69 0.07 0.00 -0.34 0.00 0.00 178.44 178.90 103m h ALA 90 N 0.63 0.90 -0.11 1.25 0.00 -0.56 -2.22 119.26 119.14 103m h ALA 90 Ca 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 103m h ALA 90 Cb 0.59 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 103m h ALA 90 CO 0.03 0.67 0.03 0.37 0.00 0.00 0.00 179.25 180.34 103m h GLN 91 N 1.01 0.18 -0.59 0.00 4.15 -1.35 -0.73 115.11 117.77 103m h GLN 91 Ca 0.19 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 103m h GLN 91 Cb 0.48 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 103m h GLN 91 CO 0.02 0.34 -0.01 0.66 -1.93 0.00 0.00 178.83 177.91 103m h SER 92 N -0.02 1.04 0.56 -0.69 4.64 -1.41 -0.20 113.55 117.46 103m h SER 92 Ca 0.04 -0.31 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 103m h SER 92 Cb 0.24 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 103m h SER 92 CO 0.00 1.10 -0.69 0.45 -0.87 0.00 0.00 176.83 176.82 103m h HIS 93 N 0.95 0.15 0.01 4.77 3.86 -1.38 0.02 115.15 123.54 103m h HIS 93 Ca 0.17 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 103m h HIS 93 Cb 0.57 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 103m h HIS 93 CO 0.04 0.76 -0.16 0.00 0.86 0.00 0.00 177.93 179.44 103m h ALA 94 N 1.22 0.01 0.11 2.45 0.00 -1.08 0.12 119.26 122.09 103m h ALA 94 Ca -0.01 -0.57 -0.27 0.00 0.00 0.00 0.00 54.91 54.06 103m h ALA 94 Cb 1.22 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 103m h ALA 94 CO 0.10 0.08 -1.36 1.15 0.00 0.00 0.00 179.25 179.22 103m h THR 95 N -0.95 1.06 0.00 0.00 2.02 -1.13 -3.28 112.91 110.64 103m h THR 95 Ca -0.04 -2.40 -0.03 0.00 0.77 0.00 0.00 66.41 64.72 103m h THR 95 Cb 1.07 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 70.21 103m h THR 95 CO -0.00 0.69 -0.40 0.50 0.37 0.00 0.00 175.52 176.67 103m h LYS 96 N -0.34 0.00 0.00 6.66 3.64 -1.27 -3.41 116.57 121.85 103m h LYS 96 Ca -0.29 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 103m h LYS 96 Cb 1.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 103m h LYS 96 CO 0.05 0.18 -0.69 0.45 -2.27 0.00 0.00 179.45 177.18 103m h HIS 97 N -1.00 0.00 -5.71 1.91 3.86 -1.18 -3.49 115.15 109.55 103m h HIS 97 Ca -0.04 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.91 103m h HIS 97 Cb 0.48 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.07 103m h HIS 97 CO -0.08 0.17 -0.73 1.63 0.86 0.00 0.00 177.93 179.78 103m n LYS 98 N -2.92 -1.76 -3.61 2.45 5.02 0.18 -4.98 118.16 112.54 103m n LYS 98 Ca -0.00 0.87 -0.38 0.00 -2.02 0.00 0.00 58.31 56.78 103m n LYS 98 Cb 0.62 -5.20 -0.11 0.00 -0.02 0.00 0.00 35.03 30.32 103m n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 103m s ILE 99 N -3.32 5.22 0.55 -0.18 -1.09 0.07 -5.01 121.20 117.44 103m s ILE 99 Ca 0.36 0.14 -0.17 0.00 -2.23 0.00 0.00 60.65 58.74 103m s ILE 99 Cb -0.08 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 103m s ILE 99 CO 0.78 0.26 1.05 -2.16 -1.23 0.00 0.00 174.94 173.64 103m s PRO 100 N 1.72 3.50 0.39 2.79 0.04 -1.26 -4.75 135.00 137.43 103m s PRO 100 Ca 0.07 1.26 0.15 0.00 0.04 0.00 0.00 61.00 62.52 103m s PRO 100 Cb -0.16 -2.06 0.99 0.00 0.04 0.00 0.00 34.50 33.32 103m s PRO 100 CO 0.10 -0.67 1.83 0.82 0.04 0.00 0.00 177.00 179.13 103m h ILE 101 N 0.86 0.68 -0.82 0.56 1.08 -1.96 -0.38 117.51 117.53 103m h ILE 101 Ca -0.48 -0.17 0.16 0.00 -0.39 0.00 0.00 64.86 63.98 103m h ILE 101 Cb 1.22 0.14 -0.10 0.00 -3.07 0.00 0.00 36.82 35.01 103m h ILE 101 CO 0.58 0.09 0.38 0.50 -0.69 0.00 0.00 178.15 179.01 103m h LYS 102 N 0.50 0.51 0.00 2.37 1.63 -1.91 0.02 116.57 119.69 103m h LYS 102 Ca 0.50 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.22 103m h LYS 102 Cb 1.11 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 103m h LYS 102 CO -0.23 0.33 -0.25 1.88 -3.45 0.00 0.00 179.45 177.73 103m h TYR 103 N 0.52 0.00 0.00 1.91 -1.99 -1.43 -2.20 116.97 113.78 103m h TYR 103 Ca 0.46 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.07 103m h TYR 103 Cb 0.72 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 103m h TYR 103 CO -0.13 0.25 -0.60 -0.07 -0.00 0.00 0.00 178.16 177.62 103m h LEU 104 N 0.00 0.00 -0.34 3.88 3.38 -1.01 -2.15 115.31 119.07 103m h LEU 104 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 103m h LEU 104 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 103m h LEU 104 CO 0.03 0.60 -0.62 -0.33 0.09 0.00 0.00 178.44 178.21 103m h GLU 105 N 0.00 0.72 -0.65 1.13 5.08 -0.99 -1.91 114.58 117.95 103m h GLU 105 Ca -0.01 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 103m h GLU 105 Cb 1.15 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 103m h GLU 105 CO 0.08 1.12 0.35 0.74 -1.00 0.00 0.00 179.01 180.29 103m h PHE 106 N 0.53 0.91 0.00 4.33 0.04 -1.18 -1.58 116.94 119.98 103m h PHE 106 Ca -0.01 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 103m h PHE 106 Cb 1.21 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 103m h PHE 106 CO 0.06 0.66 -0.63 0.97 -0.60 0.00 0.00 178.31 178.77 103m h ILE 107 N 0.89 1.41 -0.73 -0.55 2.10 -1.36 -2.15 117.51 117.12 103m h ILE 107 Ca 0.23 -2.20 -0.03 0.00 1.08 0.00 0.00 64.86 63.94 103m h ILE 107 Cb 0.06 2.20 -0.03 0.00 -1.09 0.00 0.00 36.82 37.96 103m h ILE 107 CO -0.03 0.62 0.33 0.28 -1.08 0.00 0.00 178.15 178.26 103m h SER 108 N 0.00 0.97 -0.66 2.19 0.02 -0.95 -0.88 113.55 114.23 103m h SER 108 Ca -0.01 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 103m h SER 108 Cb 1.15 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 103m h SER 108 CO 0.08 0.85 0.09 -0.08 -1.14 0.00 0.00 176.83 176.64 103m h GLU 109 N 1.03 1.11 -0.32 3.45 4.81 -1.07 -2.01 114.58 121.58 103m h GLU 109 Ca 0.25 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 103m h GLU 109 Cb 0.16 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 103m h GLU 109 CO -0.03 1.02 -0.25 0.00 -0.73 0.00 0.00 179.01 179.02 103m h ALA 110 N 1.05 0.95 -0.20 2.92 0.00 -0.91 -1.85 119.26 121.22 103m h ALA 110 Ca 0.20 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 103m h ALA 110 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 103m h ALA 110 CO 0.02 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.71 103m h ILE 111 N 0.56 1.24 -0.66 0.00 2.04 -0.91 -1.82 117.51 117.96 103m h ILE 111 Ca 0.08 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 103m h ILE 111 Cb 0.73 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 103m h ILE 111 CO 0.06 0.25 0.25 0.40 0.00 0.00 0.00 178.15 179.11 103m h ILE 112 N 0.13 1.23 -0.28 -0.67 2.04 -1.30 -1.34 117.51 117.31 103m h ILE 112 Ca 0.06 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 103m h ILE 112 Cb 0.36 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 103m h ILE 112 CO 0.01 0.30 0.08 -0.74 0.00 0.00 0.00 178.15 177.79 103m h HIS 113 N 0.96 0.47 -0.41 1.37 2.76 -1.18 -1.70 115.15 117.42 103m h HIS 113 Ca 0.22 -0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 103m h HIS 113 Cb 0.21 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 103m h HIS 113 CO 0.02 0.51 -0.18 0.28 -1.30 0.00 0.00 177.93 177.26 103m h VAL 114 N 0.30 1.28 -0.72 5.26 2.07 -1.16 -1.70 116.25 121.57 103m h VAL 114 Ca 0.09 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 103m h VAL 114 Cb 0.27 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 103m h VAL 114 CO -0.00 0.44 0.25 -0.07 0.02 0.00 0.00 177.57 178.21 103m h LEU 115 N 0.66 1.01 -0.69 2.57 3.38 -1.19 -0.51 115.31 120.53 103m h LEU 115 Ca 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 103m h LEU 115 Cb 0.73 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 103m h LEU 115 CO 0.06 0.92 0.22 -0.74 0.09 0.00 0.00 178.44 178.98 103m h HIS 116 N 1.05 1.11 -0.12 1.13 2.76 -1.25 0.90 115.15 120.73 103m h HIS 116 Ca 0.24 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 103m h HIS 116 Cb 0.25 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 103m h HIS 116 CO 0.02 0.89 -0.05 0.77 -1.30 0.00 0.00 177.93 178.25 103m h SER 117 N 1.01 0.26 1.40 3.26 0.02 -0.67 -3.26 113.55 115.57 103m h SER 117 Ca 0.22 -0.40 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 103m h SER 117 Cb 0.30 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 103m h SER 117 CO -0.01 0.61 -0.62 0.03 -1.14 0.00 0.00 176.83 175.70 103m h ARG 118 N -0.09 0.00 -1.67 3.45 3.08 -1.09 -3.39 114.38 114.67 103m h ARG 118 Ca 0.03 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.58 103m h ARG 118 Cb 0.51 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.15 103m h ARG 118 CO 0.02 0.31 -0.95 0.72 -1.07 0.00 0.00 179.97 178.99 103m n HIS 119 N -3.08 2.16 -0.11 3.04 8.25 0.31 -4.93 115.22 120.85 103m n HIS 119 Ca 0.00 -3.40 0.14 0.00 -0.26 0.00 0.00 57.72 54.20 103m n HIS 119 Cb 0.69 -0.34 0.52 0.00 1.12 0.00 0.00 29.99 31.98 103m n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 103m h PRO 120 N 2.89 0.37 0.00 -0.41 0.13 -1.73 -0.52 132.00 132.73 103m h PRO 120 Ca 0.10 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.08 103m h PRO 120 Cb 0.91 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 103m h PRO 120 CO 0.66 0.24 -0.64 0.78 -0.23 0.00 0.00 178.00 178.81 103m h GLY 121 N 0.38 0.00 -1.80 1.56 0.00 -1.92 -3.17 103.07 98.12 103m h GLY 121 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 103m h GLY 121 CO -0.09 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.15 103m n ASN 122 N -3.69 3.48 -3.13 0.19 5.03 -0.71 -4.62 115.26 111.81 103m n ASN 122 Ca -0.01 -2.20 -0.20 0.00 0.87 0.00 0.00 54.58 53.04 103m n ASN 122 Cb 0.65 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 39.02 103m n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 103m n PHE 123 N 0.65 1.18 -1.21 3.10 7.35 -0.29 -4.72 117.46 123.53 103m n PHE 123 Ca 0.17 -3.87 -0.08 0.00 -0.76 0.00 0.00 57.45 52.91 103m n PHE 123 Cb 0.58 -0.44 0.06 0.00 0.35 0.00 0.00 39.48 40.03 103m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 103m n GLY 124 N 0.15 -1.33 0.22 7.13 0.00 -1.26 -4.68 105.19 105.41 103m n GLY 124 Ca 0.27 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 103m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 103m h ALA 125 N -1.96 0.70 -0.35 4.61 0.00 -1.98 -0.50 119.26 119.78 103m h ALA 125 Ca -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 103m h ALA 125 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 103m h ALA 125 CO 0.08 -0.13 0.14 -0.44 0.00 0.00 0.00 179.25 178.90 103m h ASP 126 N 0.46 0.48 -0.05 0.00 3.32 -1.99 -0.49 116.42 118.15 103m h ASP 126 Ca 0.26 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 103m h ASP 126 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 103m h ASP 126 CO -0.22 0.52 -0.27 0.00 -1.72 0.00 0.00 179.24 177.54 103m h ALA 127 N 0.98 1.06 -0.26 3.45 0.00 -1.83 -1.58 119.26 121.08 103m h ALA 127 Ca 0.12 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 103m h ALA 127 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 103m h ALA 127 CO -0.01 0.57 -0.34 0.37 0.00 0.00 0.00 179.25 179.85 103m h GLN 128 N 0.43 0.57 -0.52 0.00 4.15 -0.90 -1.26 115.11 117.57 103m h GLN 128 Ca 0.06 -0.26 -0.06 0.00 0.77 0.00 0.00 58.65 59.16 103m h GLN 128 Cb 0.70 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 103m h GLN 128 CO 0.05 0.83 0.08 0.78 -1.93 0.00 0.00 178.83 178.65 103m h GLY 129 N 1.04 0.93 0.95 2.39 0.00 -0.67 -0.29 103.07 107.42 103m h GLY 129 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 103m h GLY 129 CO 0.07 0.58 0.16 0.00 0.00 0.00 0.00 176.54 177.34 103m h ALA 130 N 0.98 0.54 -0.61 3.60 0.00 -1.11 -1.03 119.26 121.64 103m h ALA 130 Ca 0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 103m h ALA 130 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 103m h ALA 130 CO 0.01 0.16 0.10 1.98 0.00 0.00 0.00 179.25 181.50 103m h MET 131 N 0.53 1.01 -0.79 0.00 -1.53 -1.09 -0.80 114.93 112.26 103m h MET 131 Ca 0.14 -0.27 -0.05 0.00 -3.44 0.00 0.00 59.70 56.08 103m h MET 131 Cb 0.21 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.11 103m h MET 131 CO -0.01 0.94 0.31 -0.97 0.14 0.00 0.00 176.91 177.33 103m h ASN 132 N 0.91 1.09 -0.64 1.39 -1.24 -0.89 -1.00 115.58 115.20 103m h ASN 132 Ca 0.18 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 103m h ASN 132 Cb 0.42 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 103m h ASN 132 CO 0.01 0.97 0.19 0.50 -1.29 0.00 0.00 177.43 177.81 103m h LYS 133 N 1.15 1.03 -0.44 6.67 3.64 -0.83 0.05 116.57 127.85 103m h LYS 133 Ca 0.26 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 103m h LYS 133 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 103m h LYS 133 CO -0.02 0.89 -0.16 0.00 -2.27 0.00 0.00 179.45 177.89 103m h ALA 134 N 1.21 0.61 -0.11 5.00 0.00 -0.74 -1.23 119.26 124.00 103m h ALA 134 Ca 0.22 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 103m h ALA 134 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 103m h ALA 134 CO -0.01 0.54 -0.62 -0.07 0.00 0.00 0.00 179.25 179.10 103m h LEU 135 N 0.71 0.44 -0.66 0.00 3.38 -0.99 -1.63 115.31 116.55 103m h LEU 135 Ca 0.10 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 103m h LEU 135 Cb 0.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 103m h LEU 135 CO 0.05 0.95 -0.07 -0.33 0.09 0.00 0.00 178.44 179.14 103m h GLU 136 N 0.28 0.97 -0.25 1.13 5.08 -0.84 -0.34 114.58 120.61 103m h GLU 136 Ca -0.01 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 103m h GLU 136 Cb 1.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 103m h GLU 136 CO 0.11 1.00 0.14 1.25 -1.00 0.00 0.00 179.01 180.50 103m h LEU 137 N 0.87 0.22 -0.04 1.33 5.85 -1.04 -0.20 115.31 122.30 103m h LEU 137 Ca 0.15 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.90 103m h LEU 137 Cb 0.61 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 103m h LEU 137 CO 0.04 0.16 -0.20 0.15 -0.34 0.00 0.00 178.44 178.25 103m h PHE 138 N 0.29 -0.53 -0.82 1.25 3.57 -1.01 -1.53 116.94 118.16 103m h PHE 138 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 103m h PHE 138 Cb 0.00 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 103m h PHE 138 CO -0.08 -0.28 0.40 0.00 -2.23 0.00 0.00 178.31 176.11 103m h ARG 139 N -0.30 1.17 -0.24 1.11 3.08 -0.83 -1.10 114.38 117.26 103m h ARG 139 Ca 0.07 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 103m h ARG 139 Cb 0.40 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 103m h ARG 139 CO -0.21 0.89 0.05 -0.22 -1.07 0.00 0.00 179.97 179.41 103m h LYS 140 N 1.16 0.39 -0.43 0.04 3.64 -0.85 0.30 116.57 120.83 103m h LYS 140 Ca 0.28 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 103m h LYS 140 Cb 0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 103m h LYS 140 CO -0.04 0.50 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.08 103m h ASP 141 N 0.22 0.77 -0.44 4.20 3.32 -1.10 -1.56 116.42 121.83 103m h ASP 141 Ca 0.08 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 103m h ASP 141 Cb 0.29 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 103m h ASP 141 CO 0.00 0.92 -0.04 0.40 -1.72 0.00 0.00 179.24 178.81 103m h ILE 142 N 0.70 1.27 -0.92 0.35 1.08 -1.09 -2.22 117.51 116.68 103m h ILE 142 Ca 0.11 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 103m h ILE 142 Cb 0.62 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 103m h ILE 142 CO 0.04 0.38 0.53 0.00 -0.69 0.00 0.00 178.15 178.41 103m h ALA 143 N 0.89 1.20 -0.46 1.87 0.00 -0.71 -0.41 119.26 121.64 103m h ALA 143 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 103m h ALA 143 Cb 0.55 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 103m h ALA 143 CO 0.03 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.98 103m h ALA 144 N 1.30 1.19 -0.13 0.00 0.00 -1.11 -2.47 119.26 118.06 103m h ALA 144 Ca 0.33 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 103m h ALA 144 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 103m h ALA 144 CO -0.06 0.53 -0.69 0.87 0.00 0.00 0.00 179.25 179.90 103m h LYS 145 N 0.70 0.55 -0.51 0.00 6.56 -0.86 -2.83 116.57 120.18 103m h LYS 145 Ca 0.15 -0.42 0.06 0.00 -1.06 0.00 0.00 60.65 59.38 103m h LYS 145 Cb 0.38 0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 32.06 103m h LYS 145 CO 0.01 1.04 0.20 1.88 -2.06 0.00 0.00 179.45 180.52 103m h TYR 146 N 0.38 0.36 -0.55 -1.35 -1.99 -0.74 0.09 116.97 113.16 103m h TYR 146 Ca -0.03 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 103m h TYR 146 Cb 1.28 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.90 103m h TYR 146 CO 0.06 0.13 0.31 -0.22 -0.00 0.00 0.00 178.16 178.44 103m h LYS 147 N 0.39 0.76 -0.27 4.88 3.64 -1.42 -0.12 116.57 124.44 103m h LYS 147 Ca 0.24 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 103m h LYS 147 Cb 0.23 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 103m h LYS 147 CO -0.23 0.58 -0.08 0.93 -2.27 0.00 0.00 179.45 178.38 103m h GLU 148 N 0.74 0.44 -0.00 1.90 5.08 -1.11 -2.26 114.58 119.38 103m h GLU 148 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 103m h GLU 148 Cb 0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.22 103m h GLU 148 CO -0.03 0.54 -0.03 1.28 -1.00 0.00 0.00 179.01 179.77 103m n LEU 149 N -4.25 0.05 0.00 1.33 4.77 -0.05 -4.92 117.00 113.93 103m n LEU 149 Ca 0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 103m n LEU 149 Cb 0.28 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 103m n LEU 149 CO 0.39 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 103m n GLY 150 N 1.39 0.79 0.69 -0.72 0.00 -0.71 -5.00 105.19 101.63 103m n GLY 150 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 103m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 103m n TYR 151 N -2.34 0.00 -3.39 1.61 9.36 -0.14 -5.00 117.16 117.26 103m n TYR 151 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 103m n TYR 151 Cb 0.00 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.73 103m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 103m n GLN 152 N -2.09 -1.92 0.00 2.98 0.00 -1.06 -4.81 117.38 110.48 103m n GLN 152 Ca 0.00 1.46 0.09 0.00 -0.00 0.00 0.00 57.00 58.55 103m n GLN 152 Cb 0.00 -3.11 0.08 0.00 0.00 0.00 0.00 30.24 27.20 103m n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47