#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5m s LEU 2 N 0.00 4.28 0.91 0.99 1.02 -1.26 -5.10 118.68 119.51 2o5m s LEU 2 Ca 0.00 0.75 -0.12 0.00 0.02 0.00 0.00 54.13 54.78 2o5m s LEU 2 Cb 0.00 -3.27 0.14 0.00 0.02 0.00 0.00 46.19 43.07 2o5m s LEU 2 CO 0.00 0.07 1.10 -0.94 0.02 0.00 0.00 176.35 176.60 2o5m s SER 3 N -2.15 3.44 0.17 2.29 1.04 -1.26 -4.83 113.70 112.39 2o5m s SER 3 Ca 0.39 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 2o5m s SER 3 Cb -0.13 -1.96 0.11 0.00 0.10 0.00 0.00 66.02 64.14 2o5m s SER 3 CO 0.21 -2.63 1.78 0.44 0.98 0.00 0.00 173.24 174.02 2o5m h ASP 4 N -1.55 0.31 -0.53 7.02 3.32 -1.99 -0.21 116.42 122.79 2o5m h ASP 4 Ca -0.51 0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.65 2o5m h ASP 4 Cb 1.30 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 2o5m h ASP 4 CO 0.57 0.22 0.19 1.23 -1.72 0.00 0.00 179.24 179.73 2o5m h GLY 5 N 0.44 0.71 0.87 2.75 0.00 -1.99 -1.16 103.07 104.69 2o5m h GLY 5 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2o5m h GLY 5 CO -0.15 0.00 0.04 0.83 0.00 0.00 0.00 176.54 177.26 2o5m h GLU 6 N 0.37 0.15 -0.91 4.80 5.08 -1.84 -1.70 114.58 120.54 2o5m h GLU 6 Ca 0.26 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2o5m h GLU 6 Cb 0.29 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 2o5m h GLU 6 CO -0.26 0.26 0.54 -1.49 -1.00 0.00 0.00 179.01 177.06 2o5m h TRP 7 N 0.01 0.98 -0.68 4.33 -0.00 -0.67 -0.06 115.95 119.85 2o5m h TRP 7 Ca 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.93 2o5m h TRP 7 Cb 0.16 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 28.99 2o5m h TRP 7 CO -0.02 0.38 0.31 0.37 -0.00 0.00 0.00 178.44 179.48 2o5m h GLN 8 N 0.87 0.99 -0.18 0.49 4.15 -0.90 -0.59 115.11 119.94 2o5m h GLN 8 Ca 0.45 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 2o5m h GLN 8 Cb 0.45 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2o5m h GLN 8 CO -0.27 0.80 0.11 1.96 -1.93 0.00 0.00 178.83 179.50 2o5m h GLN 9 N 0.95 0.25 -0.36 1.69 4.20 -0.47 -0.80 115.11 120.56 2o5m h GLN 9 Ca 0.23 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2o5m h GLN 9 Cb 0.15 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 2o5m h GLN 9 CO -0.03 0.22 -0.10 0.28 -0.67 0.00 0.00 178.83 178.53 2o5m h VAL 10 N 0.20 0.62 0.00 -0.54 2.07 -0.51 0.26 116.25 118.35 2o5m h VAL 10 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2o5m h VAL 10 Cb 0.04 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2o5m h VAL 10 CO -0.01 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.36 2o5m h LEU 11 N -0.01 0.00 0.01 2.57 3.38 -1.03 -0.44 115.31 119.79 2o5m h LEU 11 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2o5m h LEU 11 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2o5m h LEU 11 CO -0.38 0.15 -0.00 -1.13 0.09 0.00 0.00 178.44 177.17 2o5m h ASN 12 N 0.00 -0.01 -0.79 -0.43 -0.73 -0.27 -2.74 115.58 110.61 2o5m h ASN 12 Ca -0.00 -0.48 0.13 0.00 1.87 0.00 0.00 56.30 57.81 2o5m h ASN 12 Cb 0.85 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.35 2o5m h ASN 12 CO 0.02 0.48 0.38 0.58 -0.37 0.00 0.00 177.43 178.53 2o5m h VAL 13 N -0.50 0.74 -0.08 2.57 2.07 -0.80 -2.53 116.25 117.71 2o5m h VAL 13 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2o5m h VAL 13 Cb 0.49 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2o5m h VAL 13 CO 0.00 0.11 -0.00 -0.25 0.02 0.00 0.00 177.57 177.45 2o5m h TRP 14 N 0.58 0.11 -1.01 1.57 2.91 -0.93 0.18 115.95 119.35 2o5m h TRP 14 Ca 0.42 -0.00 0.23 0.00 1.13 0.00 0.00 58.89 60.67 2o5m h TRP 14 Cb 0.57 -0.03 -0.11 0.00 -0.51 0.00 0.00 29.16 29.08 2o5m h TRP 14 CO -0.11 0.12 0.62 0.78 -1.03 0.00 0.00 178.44 178.81 2o5m h GLY 15 N 0.25 1.66 0.96 2.65 0.00 -1.15 0.33 103.07 107.78 2o5m h GLY 15 Ca 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2o5m h GLY 15 CO 0.00 -0.16 0.19 0.50 0.00 0.00 0.00 176.54 177.08 2o5m h LYS 16 N 0.58 0.50 -0.60 4.80 1.57 -1.07 -2.53 116.57 119.83 2o5m h LYS 16 Ca 0.61 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 2o5m h LYS 16 Cb 1.20 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 2o5m h LYS 16 CO -0.39 0.42 0.33 0.28 -0.57 0.00 0.00 179.45 179.52 2o5m h VAL 17 N 0.45 1.19 0.00 0.50 2.07 -1.03 -2.96 116.25 116.47 2o5m h VAL 17 Ca 0.12 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2o5m h VAL 17 Cb 0.07 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2o5m h VAL 17 CO -0.02 0.21 -0.09 -0.33 0.02 0.00 0.00 177.57 177.35 2o5m h GLU 18 N 0.81 0.00 0.00 1.57 5.08 -1.00 -1.32 114.58 119.73 2o5m h GLU 18 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2o5m h GLU 18 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2o5m h GLU 18 CO -0.03 0.09 -0.16 0.00 -1.00 0.00 0.00 179.01 177.91 2o5m h ALA 19 N 1.91 1.04 -0.73 3.43 0.00 -1.28 -3.36 119.26 120.28 2o5m h ALA 19 Ca -0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 2o5m h ALA 19 Cb 0.37 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.92 2o5m h ALA 19 CO 0.01 0.20 -0.68 -3.47 0.00 0.00 0.00 179.25 175.32 2o5m n ASP 20 N -3.35 -2.03 -0.09 0.00 2.03 -0.71 -5.02 116.55 107.38 2o5m n ASP 20 Ca 0.00 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.14 2o5m n ASP 20 Cb 0.38 1.07 -0.02 0.00 -0.72 0.00 0.00 41.12 41.82 2o5m n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o5m h ILE 21 N 2.98 1.15 -0.72 5.18 2.10 -1.43 -1.79 117.51 124.99 2o5m h ILE 21 Ca -0.05 -0.44 0.03 0.00 1.08 0.00 0.00 64.86 65.48 2o5m h ILE 21 Cb 0.99 0.90 -0.04 0.00 -1.09 0.00 0.00 36.82 37.58 2o5m h ILE 21 CO 0.34 0.16 0.45 0.00 -1.08 0.00 0.00 178.15 178.02 2o5m h ALA 22 N 1.00 0.93 -0.14 0.18 0.00 -1.88 0.77 119.26 120.12 2o5m h ALA 22 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2o5m h ALA 22 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2o5m h ALA 22 CO -0.01 0.25 0.02 0.78 0.00 0.00 0.00 179.25 180.28 2o5m h GLY 23 N 0.89 0.26 0.96 0.00 0.00 -1.89 -0.63 103.07 102.66 2o5m h GLY 23 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2o5m h GLY 23 CO -0.10 0.16 0.21 0.45 0.00 0.00 0.00 176.54 177.26 2o5m h HIS 24 N 0.01 0.58 0.09 5.60 -0.00 -1.26 -1.63 115.15 118.53 2o5m h HIS 24 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2o5m h HIS 24 Cb 0.31 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2o5m h HIS 24 CO 0.02 0.46 -0.07 0.78 -0.00 0.00 0.00 177.93 179.12 2o5m h GLY 25 N 0.53 -0.15 0.17 2.45 0.00 -0.66 0.04 103.07 105.45 2o5m h GLY 25 Ca 0.14 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.61 2o5m h GLY 25 CO -0.02 -0.07 -0.25 -1.61 0.00 0.00 0.00 176.54 174.59 2o5m h GLN 26 N -0.16 -0.26 -0.74 4.80 4.15 -1.11 -1.31 115.11 120.48 2o5m h GLN 26 Ca -0.00 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 2o5m h GLN 26 Cb 0.15 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2o5m h GLN 26 CO -0.01 -0.18 0.26 0.93 -1.93 0.00 0.00 178.83 177.91 2o5m h GLU 27 N -0.27 1.12 -0.04 1.69 5.08 -1.04 0.75 114.58 121.85 2o5m h GLU 27 Ca 0.13 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2o5m h GLU 27 Cb 0.47 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2o5m h GLU 27 CO -0.37 0.93 -0.08 0.28 -1.00 0.00 0.00 179.01 178.76 2o5m h VAL 28 N 1.08 0.77 -0.40 3.13 2.07 -0.73 0.09 116.25 122.26 2o5m h VAL 28 Ca 0.24 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.65 2o5m h VAL 28 Cb 0.25 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2o5m h VAL 28 CO -0.01 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.31 2o5m h LEU 29 N -0.12 0.86 -0.39 2.57 3.38 -0.81 -0.86 115.31 119.94 2o5m h LEU 29 Ca 0.05 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2o5m h LEU 29 Cb 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2o5m h LEU 29 CO -0.12 1.08 0.18 0.40 0.09 0.00 0.00 178.44 180.07 2o5m h ILE 30 N 0.64 0.94 -0.43 1.22 2.04 -0.77 0.36 117.51 121.52 2o5m h ILE 30 Ca 0.09 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2o5m h ILE 30 Cb 0.76 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2o5m h ILE 30 CO 0.06 0.07 0.14 -0.09 0.00 0.00 0.00 178.15 178.32 2o5m h ARG 31 N 0.36 0.29 0.06 2.37 9.65 -0.68 -0.05 114.38 126.39 2o5m h ARG 31 Ca 0.17 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.04 2o5m h ARG 31 Cb 0.10 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2o5m h ARG 31 CO -0.14 0.19 -0.11 1.25 2.80 0.00 0.00 179.97 183.97 2o5m h LEU 32 N 0.30 -0.29 -0.50 3.80 5.85 -0.66 -1.67 115.31 122.14 2o5m h LEU 32 Ca 0.20 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 2o5m h LEU 32 Cb 0.20 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2o5m h LEU 32 CO -0.22 -0.16 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.15 2o5m h PHE 33 N -0.22 1.05 0.02 1.25 0.04 -0.66 0.97 116.94 119.39 2o5m h PHE 33 Ca 0.02 -0.28 -0.26 0.00 2.80 0.00 0.00 57.97 60.25 2o5m h PHE 33 Cb 0.23 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2o5m h PHE 33 CO -0.14 1.09 -1.04 1.79 -0.60 0.00 0.00 178.31 179.40 2o5m h THR 34 N 0.75 1.34 0.00 -1.55 1.35 -1.05 -2.87 112.91 110.88 2o5m h THR 34 Ca 0.08 -2.39 -0.14 0.00 -0.55 0.00 0.00 66.41 63.41 2o5m h THR 34 Cb 0.88 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.75 2o5m h THR 34 CO 0.08 0.73 -0.67 1.23 -0.25 0.00 0.00 175.52 176.64 2o5m h GLY 35 N 0.76 0.00 -6.29 5.82 0.00 -1.26 -3.39 103.07 98.71 2o5m h GLY 35 Ca -0.12 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.63 2o5m h GLY 35 CO 0.19 0.00 -0.99 1.42 0.00 0.00 0.00 176.54 177.16 2o5m n HIS 36 N -3.48 -0.60 0.27 5.60 8.25 0.33 -5.01 115.22 120.59 2o5m n HIS 36 Ca 0.00 -3.41 0.17 0.00 -0.26 0.00 0.00 57.72 54.22 2o5m n HIS 36 Cb 0.72 0.07 0.93 0.00 1.12 0.00 0.00 29.99 32.84 2o5m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2o5m h PRO 37 N 5.20 0.00 -0.06 -0.41 0.11 -1.72 -0.13 132.00 134.99 2o5m h PRO 37 Ca 0.22 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.34 2o5m h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2o5m h PRO 37 CO 0.41 0.00 0.05 1.05 -0.21 0.00 0.00 178.00 179.30 2o5m h GLU 38 N 0.00 0.00 -0.31 1.05 9.09 -1.93 -2.26 114.58 120.22 2o5m h GLU 38 Ca 0.03 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.33 2o5m h GLU 38 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 2o5m h GLU 38 CO -0.00 0.00 -0.30 1.79 0.05 0.00 0.00 179.01 180.55 2o5m h THR 39 N 0.00 1.28 -0.92 -1.06 1.35 -1.34 -2.32 112.91 109.89 2o5m h THR 39 Ca 0.03 -1.41 0.10 0.00 -0.55 0.00 0.00 66.41 64.57 2o5m h THR 39 Cb 0.13 1.36 -0.07 0.00 -1.73 0.00 0.00 68.15 67.84 2o5m h THR 39 CO -0.00 0.46 0.59 0.25 -0.25 0.00 0.00 175.52 176.57 2o5m h LEU 40 N 0.56 0.85 -2.55 3.87 5.85 -1.54 -1.39 115.31 120.97 2o5m h LEU 40 Ca 0.07 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2o5m h LEU 40 Cb 0.79 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2o5m h LEU 40 CO 0.06 0.50 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.32 2o5m h GLU 41 N 0.94 0.00 0.00 1.25 4.39 -1.47 0.00 114.58 119.70 2o5m h GLU 41 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 2o5m h GLU 41 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2o5m h GLU 41 CO -0.19 0.01 0.00 0.87 -1.16 0.00 0.00 179.01 178.55 2o5m h LYS 42 N 0.00 0.00 -4.33 2.33 1.79 -1.31 -3.40 116.57 111.65 2o5m h LYS 42 Ca -0.00 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.76 2o5m h LYS 42 Cb 0.12 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.45 2o5m h LYS 42 CO 0.00 0.00 -0.46 -0.06 -1.08 0.00 0.00 179.45 177.86 2o5m s PHE 43 N -3.36 3.51 0.43 -1.35 0.40 -0.01 -4.94 117.98 112.65 2o5m s PHE 43 Ca 0.04 -2.19 0.14 0.00 -0.60 0.00 0.00 56.93 54.32 2o5m s PHE 43 Cb 0.09 -3.36 1.03 0.00 0.51 0.00 0.00 43.02 41.29 2o5m s PHE 43 CO 0.44 -0.98 1.97 -0.44 0.70 0.00 0.00 175.22 176.91 2o5m h ASP 44 N 8.16 0.38 0.61 1.36 3.32 -1.81 -0.75 116.42 127.69 2o5m h ASP 44 Ca -0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2o5m h ASP 44 Cb 1.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2o5m h ASP 44 CO 0.77 0.22 0.00 2.29 -1.72 0.00 0.00 179.24 180.81 2o5m n LYS 45 N -4.47 0.18 0.00 3.56 2.85 -1.26 -3.57 118.16 115.45 2o5m n LYS 45 Ca 0.11 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 2o5m n LYS 45 Cb 0.39 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 2o5m n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2o5m n PHE 46 N -1.39 0.00 0.28 5.58 3.72 -0.41 -4.75 117.46 120.49 2o5m n PHE 46 Ca 0.09 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.64 2o5m n PHE 46 Cb 0.23 0.00 0.89 0.00 -0.94 0.00 0.00 39.48 39.66 2o5m n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2o5m h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.29 -1.33 116.57 114.97 2o5m h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2o5m h LYS 47 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2o5m h LYS 47 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 2o5m n HIS 48 N -3.85 0.03 -2.57 0.07 1.44 -1.26 -4.60 115.22 104.48 2o5m n HIS 48 Ca -0.02 0.01 -0.41 0.00 -2.01 0.00 0.00 57.72 55.29 2o5m n HIS 48 Cb 0.14 -0.52 -0.03 0.00 0.12 0.00 0.00 29.99 29.70 2o5m n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2o5m s LEU 49 N -3.06 3.30 0.28 2.39 1.43 -0.50 -4.84 118.68 117.68 2o5m s LEU 49 Ca 0.08 -0.64 0.22 0.00 -1.03 0.00 0.00 54.13 52.76 2o5m s LEU 49 Cb 0.10 -2.55 0.12 0.00 0.03 0.00 0.00 46.19 43.89 2o5m s LEU 49 CO 0.29 -1.76 1.25 0.11 0.23 0.00 0.00 176.35 176.47 2o5m h LYS 50 N 9.96 0.00 -4.74 1.70 1.79 -1.88 -3.48 116.57 119.92 2o5m h LYS 50 Ca -0.21 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.00 2o5m h LYS 50 Cb 1.05 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.53 2o5m h LYS 50 CO 1.29 0.03 -0.71 0.95 -1.08 0.00 0.00 179.45 179.94 2o5m s THR 51 N -3.27 0.76 0.38 -0.16 -4.23 -1.26 -5.04 115.64 102.82 2o5m s THR 51 Ca 0.02 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 2o5m s THR 51 Cb 0.08 -1.51 0.28 0.00 1.34 0.00 0.00 72.50 72.69 2o5m s THR 51 CO 0.75 -0.75 2.01 -0.08 -0.54 0.00 0.00 174.62 176.01 2o5m h GLU 52 N 3.24 0.67 -0.40 3.99 4.81 -1.99 -1.11 114.58 123.79 2o5m h GLU 52 Ca -0.36 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 2o5m h GLU 52 Cb 1.18 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2o5m h GLU 52 CO 0.60 0.44 0.17 0.00 -0.73 0.00 0.00 179.01 179.48 2o5m h ALA 53 N 1.66 0.49 -0.65 2.92 0.00 -1.99 0.11 119.26 121.81 2o5m h ALA 53 Ca 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2o5m h ALA 53 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2o5m h ALA 53 CO -0.06 -0.21 0.34 0.93 0.00 0.00 0.00 179.25 180.24 2o5m h GLU 54 N 0.34 0.91 -0.11 0.00 5.08 -1.78 -1.00 114.58 118.03 2o5m h GLU 54 Ca 0.18 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2o5m h GLU 54 Cb 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2o5m h GLU 54 CO -0.16 0.70 -0.01 0.52 -1.00 0.00 0.00 179.01 179.06 2o5m h MET 55 N 0.88 0.02 -0.30 2.33 2.86 -0.67 -1.98 114.93 118.08 2o5m h MET 55 Ca 0.23 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2o5m h MET 55 Cb 0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2o5m h MET 55 CO -0.03 0.02 0.08 -0.22 1.06 0.00 0.00 176.91 177.81 2o5m h LYS 56 N 0.02 0.43 -0.00 1.72 1.63 -0.48 -2.10 116.57 117.79 2o5m h LYS 56 Ca 0.05 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2o5m h LYS 56 Cb 0.06 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2o5m h LYS 56 CO -0.09 0.40 -0.15 0.00 -3.45 0.00 0.00 179.45 176.16 2o5m n ALA 57 N -2.48 2.79 -2.63 5.00 0.00 -0.41 -4.86 120.51 117.92 2o5m n ALA 57 Ca 0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 2o5m n ALA 57 Cb 0.17 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 2o5m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2o5m s SER 58 N -2.71 6.88 0.29 0.00 0.15 -0.77 -4.89 113.70 112.64 2o5m s SER 58 Ca 0.22 0.95 0.10 0.00 0.70 0.00 0.00 55.95 57.92 2o5m s SER 58 Cb 0.19 -2.53 0.42 0.00 -1.71 0.00 0.00 66.02 62.39 2o5m s SER 58 CO 0.53 -0.89 1.65 -0.33 1.20 0.00 0.00 173.24 175.40 2o5m h GLU 59 N 8.20 0.04 -0.06 5.44 4.39 -1.89 -2.98 114.58 127.74 2o5m h GLU 59 Ca -0.21 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 2o5m h GLU 59 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2o5m h GLU 59 CO 1.03 0.59 -0.57 0.22 -1.16 0.00 0.00 179.01 179.12 2o5m h ASP 60 N 0.03 0.20 -0.50 1.42 3.58 -1.96 -0.25 116.42 118.94 2o5m h ASP 60 Ca -0.00 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.24 2o5m h ASP 60 Cb 1.00 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 2o5m h ASP 60 CO 0.08 0.72 -0.09 0.25 -2.88 0.00 0.00 179.24 177.32 2o5m h LEU 61 N 0.13 0.94 -0.48 2.28 6.46 -1.86 0.11 115.31 122.90 2o5m h LEU 61 Ca -0.00 -0.35 -0.04 0.00 -0.12 0.00 0.00 57.88 57.37 2o5m h LEU 61 Cb 1.04 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2o5m h LEU 61 CO 0.08 1.07 0.13 0.50 -0.62 0.00 0.00 178.44 179.60 2o5m h LYS 62 N 0.80 0.76 -0.10 1.25 3.64 -1.37 -0.84 116.57 120.71 2o5m h LYS 62 Ca 0.13 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2o5m h LYS 62 Cb 0.64 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2o5m h LYS 62 CO 0.04 0.74 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.64 2o5m h LYS 63 N 0.65 -0.12 -0.95 1.90 3.64 -0.72 -1.43 116.57 119.54 2o5m h LYS 63 Ca 0.15 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2o5m h LYS 63 Cb 0.31 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 2o5m h LYS 63 CO -0.00 -0.08 0.61 1.25 -2.27 0.00 0.00 179.45 178.95 2o5m h HIS 64 N -0.13 1.13 -0.83 1.91 2.76 -0.62 -1.91 115.15 117.45 2o5m h HIS 64 Ca 0.07 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2o5m h HIS 64 Cb 0.23 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 28.77 2o5m h HIS 64 CO -0.21 0.60 0.53 0.78 -1.30 0.00 0.00 177.93 178.33 2o5m h GLY 65 N 1.12 1.21 1.00 5.26 0.00 -0.54 0.60 103.07 111.74 2o5m h GLY 65 Ca 0.40 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2o5m h GLY 65 CO -0.16 0.33 0.40 -0.84 0.00 0.00 0.00 176.54 176.28 2o5m h THR 66 N 1.03 1.21 -0.29 4.70 2.02 -0.54 -1.45 112.91 119.59 2o5m h THR 66 Ca 0.34 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2o5m h THR 66 Cb 0.03 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2o5m h THR 66 CO -0.12 0.23 0.18 0.58 0.37 0.00 0.00 175.52 176.76 2o5m h VAL 67 N 0.97 1.10 0.44 3.16 2.07 -0.65 -0.39 116.25 122.95 2o5m h VAL 67 Ca 0.25 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2o5m h VAL 67 Cb 0.01 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2o5m h VAL 67 CO -0.04 0.10 -0.28 0.58 0.02 0.00 0.00 177.57 177.94 2o5m h VAL 68 N 0.37 0.42 -0.04 2.57 2.07 -0.70 -1.11 116.25 119.83 2o5m h VAL 68 Ca 0.10 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 2o5m h VAL 68 Cb 0.00 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2o5m h VAL 68 CO -0.02 0.00 -0.52 -0.07 0.02 0.00 0.00 177.57 176.98 2o5m h LEU 69 N -0.69 0.10 -0.40 2.57 3.38 -1.26 -1.27 115.31 117.73 2o5m h LEU 69 Ca -0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2o5m h LEU 69 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2o5m h LEU 69 CO 0.04 0.60 0.12 0.74 0.09 0.00 0.00 178.44 180.03 2o5m h THR 70 N 0.08 1.22 -0.17 0.22 2.02 -0.97 0.13 112.91 115.44 2o5m h THR 70 Ca -0.00 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2o5m h THR 70 Cb 0.94 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2o5m h THR 70 CO 0.07 0.25 0.09 0.00 0.37 0.00 0.00 175.52 176.30 2o5m h ALA 71 N 0.97 0.22 -0.54 6.16 0.00 -0.79 -1.81 119.26 123.46 2o5m h ALA 71 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2o5m h ALA 71 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2o5m h ALA 71 CO -0.00 -0.24 0.30 1.25 0.00 0.00 0.00 179.25 180.56 2o5m h LEU 72 N 0.16 0.46 -1.02 0.00 5.85 -1.11 -2.13 115.31 117.53 2o5m h LEU 72 Ca 0.06 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2o5m h LEU 72 Cb 0.09 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2o5m h LEU 72 CO -0.01 0.32 0.66 1.23 -0.34 0.00 0.00 178.44 180.30 2o5m h GLY 73 N 0.59 1.44 0.71 3.75 0.00 -0.62 0.26 103.07 109.20 2o5m h GLY 73 Ca 0.23 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 47.08 2o5m h GLY 73 CO -0.13 0.47 0.07 -1.33 0.00 0.00 0.00 176.54 175.61 2o5m h GLY 74 N 1.31 0.32 0.90 4.60 0.00 -0.89 -0.84 103.07 108.47 2o5m h GLY 74 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 2o5m h GLY 74 CO -0.10 0.00 0.03 -2.22 0.00 0.00 0.00 176.54 174.25 2o5m h ILE 75 N 0.17 1.10 -0.89 2.60 2.04 -0.96 -2.93 117.51 118.65 2o5m h ILE 75 Ca 0.12 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2o5m h ILE 75 Cb 0.12 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2o5m h ILE 75 CO -0.15 0.09 0.59 -0.07 0.00 0.00 0.00 178.15 178.60 2o5m h LEU 76 N -0.00 1.00 -0.69 1.44 3.38 -0.67 -1.47 115.31 118.30 2o5m h LEU 76 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2o5m h LEU 76 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2o5m h LEU 76 CO -0.00 0.71 0.00 0.29 0.09 0.00 0.00 178.44 179.53 2o5m n LYS 77 N -4.48 0.12 0.00 1.13 5.02 -0.34 -1.15 118.16 118.45 2o5m n LYS 77 Ca 0.10 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 56.99 2o5m n LYS 77 Cb 0.04 -1.78 0.52 0.00 -0.02 0.00 0.00 35.03 33.79 2o5m n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o5m n LYS 78 N -2.00 0.01 -3.76 1.97 4.76 -0.55 -4.95 118.16 113.64 2o5m n LYS 78 Ca 0.01 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.22 2o5m n LYS 78 Cb 0.13 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 31.84 2o5m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o5m n LYS 79 N -1.54 -5.36 0.00 1.97 5.02 -0.30 -1.64 118.16 116.31 2o5m n LYS 79 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2o5m n LYS 79 Cb 0.34 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 2o5m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o5m n GLY 80 N -1.62 3.11 2.44 0.72 0.00 -1.26 -4.94 105.19 103.64 2o5m n GLY 80 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2o5m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o5m n HIS 81 N -2.00 2.47 -0.86 1.61 8.25 -0.65 -4.64 115.22 119.40 2o5m n HIS 81 Ca 0.00 -2.81 0.08 0.00 -0.26 0.00 0.00 57.72 54.72 2o5m n HIS 81 Cb 0.00 -1.95 0.11 0.00 1.12 0.00 0.00 29.99 29.27 2o5m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2o5m n HIS 82 N 2.08 0.00 -0.17 4.41 1.44 -1.26 -4.79 115.22 116.92 2o5m n HIS 82 Ca 0.65 -0.88 -0.05 0.00 -2.01 0.00 0.00 57.72 55.42 2o5m n HIS 82 Cb 0.27 -0.13 0.01 0.00 0.12 0.00 0.00 29.99 30.26 2o5m n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2o5m h GLU 83 N 0.00 -0.16 -0.81 -1.40 4.57 -1.99 0.32 114.58 115.11 2o5m h GLU 83 Ca 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2o5m h GLU 83 Cb 0.90 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 2o5m h GLU 83 CO 0.00 -0.11 0.46 0.00 -1.18 0.00 0.00 179.01 178.18 2o5m h ALA 84 N 1.02 1.30 -0.03 2.92 0.00 -2.01 -0.48 119.26 121.98 2o5m h ALA 84 Ca 0.22 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 2o5m h ALA 84 Cb 0.53 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2o5m h ALA 84 CO -0.61 0.59 -0.82 0.93 0.00 0.00 0.00 179.25 179.33 2o5m h GLU 85 N 1.12 0.61 0.21 0.00 3.07 -1.75 -3.39 114.58 114.46 2o5m h GLU 85 Ca 0.29 -0.62 -0.31 0.00 -0.50 0.00 0.00 59.36 58.21 2o5m h GLU 85 Cb -0.01 0.17 0.03 0.00 -0.84 0.00 0.00 28.75 28.09 2o5m h GLU 85 CO -0.05 1.23 -1.45 1.25 -1.40 0.00 0.00 179.01 178.59 2o5m h LEU 86 N 0.24 0.69 -0.49 1.33 6.46 -0.11 -3.36 115.31 120.07 2o5m h LEU 86 Ca -0.09 -0.93 0.09 0.00 -0.12 0.00 0.00 57.88 56.83 2o5m h LEU 86 Cb 1.49 -0.23 -0.10 0.00 -0.73 0.00 0.00 40.66 41.09 2o5m h LEU 86 CO 0.16 1.68 -0.35 0.50 -0.62 0.00 0.00 178.44 179.82 2o5m h LYS 87 N 0.02 -0.21 -0.21 1.25 3.64 -1.27 0.60 116.57 120.38 2o5m h LYS 87 Ca -0.27 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 2o5m h LYS 87 Cb 2.04 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 2o5m h LYS 87 CO 0.21 -0.14 -0.11 -1.00 -2.27 0.00 0.00 179.45 176.15 2o5m h PRO 88 N -0.22 0.34 -0.01 1.90 0.13 -1.75 0.03 132.00 132.43 2o5m h PRO 88 Ca 0.19 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2o5m h PRO 88 Cb 0.55 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2o5m h PRO 88 CO -0.61 0.46 0.00 -0.07 -0.23 0.00 0.00 178.00 177.55 2o5m h LEU 89 N 0.32 0.01 -0.60 1.56 3.38 -1.47 0.15 115.31 118.66 2o5m h LEU 89 Ca 0.07 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2o5m h LEU 89 Cb 0.39 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 2o5m h LEU 89 CO 0.02 0.27 0.04 0.00 0.09 0.00 0.00 178.44 178.86 2o5m h ALA 90 N 0.74 0.64 -0.35 1.53 0.00 -0.48 -1.01 119.26 120.32 2o5m h ALA 90 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2o5m h ALA 90 Cb 0.26 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2o5m h ALA 90 CO 0.00 -0.37 -0.40 1.96 0.00 0.00 0.00 179.25 180.44 2o5m h GLN 91 N 0.16 0.90 -0.22 0.00 4.20 -0.79 -1.42 115.11 117.93 2o5m h GLN 91 Ca 0.32 -0.49 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 2o5m h GLN 91 Cb 0.50 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2o5m h GLN 91 CO -0.48 1.14 -0.45 0.66 -0.67 0.00 0.00 178.83 179.03 2o5m h SER 92 N 0.70 0.60 -0.22 1.46 4.64 -0.69 0.77 113.55 120.82 2o5m h SER 92 Ca 0.05 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 2o5m h SER 92 Cb 1.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2o5m h SER 92 CO 0.10 0.97 -0.32 0.45 -0.87 0.00 0.00 176.83 177.15 2o5m h HIS 93 N 0.45 0.85 0.05 4.77 3.86 -1.08 0.62 115.15 124.67 2o5m h HIS 93 Ca 0.03 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2o5m h HIS 93 Cb 0.96 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2o5m h HIS 93 CO 0.04 0.96 -0.03 0.00 0.86 0.00 0.00 177.93 179.76 2o5m h ALA 94 N 1.02 -0.07 0.18 2.45 0.00 -1.21 0.21 119.26 121.84 2o5m h ALA 94 Ca 0.07 -0.30 -0.35 0.00 0.00 0.00 0.00 54.91 54.32 2o5m h ALA 94 Cb 0.85 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2o5m h ALA 94 CO 0.07 -0.19 -1.75 1.15 0.00 0.00 0.00 179.25 178.53 2o5m h THR 95 N -0.76 0.94 0.00 0.00 2.02 -0.86 -3.23 112.91 111.02 2o5m h THR 95 Ca -0.01 -2.53 -0.06 0.00 0.77 0.00 0.00 66.41 64.58 2o5m h THR 95 Cb 0.63 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 2o5m h THR 95 CO 0.01 0.86 -0.97 1.17 0.37 0.00 0.00 175.52 176.96 2o5m n LYS 96 N -3.58 0.51 0.16 6.66 4.81 0.04 -4.61 118.16 122.15 2o5m n LYS 96 Ca -0.24 0.37 0.12 0.00 -0.87 0.00 0.00 58.31 57.69 2o5m n LYS 96 Cb 1.07 -1.56 0.22 0.00 0.02 0.00 0.00 35.03 34.78 2o5m n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2o5m h HIS 97 N -1.00 0.00 -5.87 5.64 3.86 -1.18 -3.48 115.15 113.12 2o5m h HIS 97 Ca -0.09 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.76 2o5m h HIS 97 Cb 0.89 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.48 2o5m h HIS 97 CO -0.28 0.00 -0.86 1.63 0.86 0.00 0.00 177.93 179.28 2o5m n LYS 98 N -2.73 -3.20 -3.45 2.45 4.76 0.44 -4.97 118.16 111.47 2o5m n LYS 98 Ca 0.04 0.68 -0.43 0.00 -2.87 0.00 0.00 58.31 55.73 2o5m n LYS 98 Cb 0.50 -5.18 -0.09 0.00 -1.84 0.00 0.00 35.03 28.42 2o5m n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2o5m s ILE 99 N -3.49 5.05 0.59 -0.18 -1.09 0.39 -5.01 121.20 117.47 2o5m s ILE 99 Ca 0.28 -1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 57.48 2o5m s ILE 99 Cb -0.07 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2o5m s ILE 99 CO 0.79 -0.50 1.26 -0.81 -1.23 0.00 0.00 174.94 174.46 2o5m n PRO 100 N 5.14 1.34 -0.17 2.79 -0.04 -1.26 -4.71 135.00 138.09 2o5m n PRO 100 Ca -0.12 0.50 0.21 0.00 -0.04 0.00 0.00 63.50 64.05 2o5m n PRO 100 Cb 0.44 -2.48 0.59 0.00 -0.04 0.00 0.00 33.50 32.01 2o5m n PRO 100 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2o5m h ILE 101 N 0.94 0.68 -0.87 0.52 6.09 -1.97 0.79 117.51 123.69 2o5m h ILE 101 Ca -0.50 -0.08 0.18 0.00 -1.37 0.00 0.00 64.86 63.09 2o5m h ILE 101 Cb 1.33 0.42 -0.06 0.00 0.47 0.00 0.00 36.82 38.97 2o5m h ILE 101 CO 0.54 0.04 0.58 0.50 -3.07 0.00 0.00 178.15 176.74 2o5m h LYS 102 N 0.24 0.44 -0.05 2.19 3.64 -2.00 -0.39 116.57 120.65 2o5m h LYS 102 Ca 0.40 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.62 2o5m h LYS 102 Cb 1.20 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2o5m h LYS 102 CO -0.10 0.29 -0.59 1.88 -2.27 0.00 0.00 179.45 178.66 2o5m h TYR 103 N 0.45 0.22 -0.34 1.91 -1.99 -1.17 0.04 116.97 116.08 2o5m h TYR 103 Ca 0.45 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 61.00 2o5m h TYR 103 Cb 1.04 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 2o5m h TYR 103 CO -0.00 0.72 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.61 2o5m h LEU 104 N 0.13 0.65 0.02 3.88 3.38 -1.13 -0.55 115.31 121.68 2o5m h LEU 104 Ca -0.01 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2o5m h LEU 104 Cb 1.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2o5m h LEU 104 CO 0.09 0.85 -0.06 -0.08 0.09 0.00 0.00 178.44 179.33 2o5m h GLU 105 N 0.57 -0.10 -0.36 1.13 4.81 -0.75 -1.63 114.58 118.24 2o5m h GLU 105 Ca 0.09 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2o5m h GLU 105 Cb 0.66 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 2o5m h GLU 105 CO 0.05 -0.07 -0.13 0.74 -0.73 0.00 0.00 179.01 178.87 2o5m h PHE 106 N -0.11 -0.29 -0.10 0.92 0.04 -0.56 -1.53 116.94 115.31 2o5m h PHE 106 Ca 0.02 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 2o5m h PHE 106 Cb 0.13 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2o5m h PHE 106 CO -0.12 -0.20 -0.44 0.97 -0.60 0.00 0.00 178.31 177.92 2o5m h ILE 107 N -0.05 1.32 -0.32 -0.55 2.10 -1.03 0.10 117.51 119.09 2o5m h ILE 107 Ca 0.18 -1.60 0.03 0.00 1.08 0.00 0.00 64.86 64.55 2o5m h ILE 107 Cb 0.32 1.74 -0.03 0.00 -1.09 0.00 0.00 36.82 37.76 2o5m h ILE 107 CO -0.40 0.48 0.12 0.28 -1.08 0.00 0.00 178.15 177.55 2o5m h SER 108 N 0.20 0.14 -0.58 2.19 0.02 -0.82 -0.19 113.55 114.51 2o5m h SER 108 Ca 0.01 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2o5m h SER 108 Cb 0.87 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2o5m h SER 108 CO 0.07 0.12 0.28 0.44 -1.14 0.00 0.00 176.83 176.59 2o5m h ASP 109 N 0.26 0.77 -0.80 3.07 3.32 -0.98 -2.42 116.42 119.64 2o5m h ASP 109 Ca 0.14 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2o5m h ASP 109 Cb 0.10 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 2o5m h ASP 109 CO -0.14 0.69 0.48 0.00 -1.72 0.00 0.00 179.24 178.55 2o5m h ALA 110 N 1.11 1.10 -0.30 3.45 0.00 -0.43 -1.13 119.26 123.07 2o5m h ALA 110 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2o5m h ALA 110 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2o5m h ALA 110 CO -0.02 0.18 0.18 0.82 0.00 0.00 0.00 179.25 180.41 2o5m h ILE 111 N 0.86 1.11 -0.61 0.00 2.04 -0.66 0.35 117.51 120.60 2o5m h ILE 111 Ca 0.36 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2o5m h ILE 111 Cb 0.21 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2o5m h ILE 111 CO -0.19 0.11 0.38 0.40 0.00 0.00 0.00 178.15 178.85 2o5m h ILE 112 N 0.38 1.09 0.05 -0.67 1.08 -1.07 -0.87 117.51 117.50 2o5m h ILE 112 Ca 0.11 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2o5m h ILE 112 Cb 0.02 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 2o5m h ILE 112 CO -0.02 0.14 -0.03 -0.74 -0.69 0.00 0.00 178.15 176.81 2o5m h HIS 113 N 0.76 -0.07 -0.78 1.37 2.76 -0.89 -2.43 115.15 115.87 2o5m h HIS 113 Ca 0.24 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2o5m h HIS 113 Cb 0.00 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.91 2o5m h HIS 113 CO -0.05 0.09 0.43 0.28 -1.30 0.00 0.00 177.93 177.38 2o5m h VAL 114 N -0.21 0.90 -0.24 5.26 2.07 -0.78 0.13 116.25 123.39 2o5m h VAL 114 Ca -0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2o5m h VAL 114 Cb 0.18 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2o5m h VAL 114 CO 0.01 0.13 0.14 -0.07 0.02 0.00 0.00 177.57 177.80 2o5m h LEU 115 N 0.74 0.22 -0.92 2.57 3.38 -1.02 0.58 115.31 120.85 2o5m h LEU 115 Ca 0.38 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.37 2o5m h LEU 115 Cb 0.34 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2o5m h LEU 115 CO -0.24 0.16 0.61 0.45 0.09 0.00 0.00 178.44 179.51 2o5m h HIS 116 N 0.28 1.15 -0.33 1.13 3.86 -1.10 -0.74 115.15 119.40 2o5m h HIS 116 Ca 0.09 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 2o5m h HIS 116 Cb -0.00 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 2o5m h HIS 116 CO -0.08 0.70 -0.19 1.03 0.86 0.00 0.00 177.93 180.25 2o5m h SER 117 N 1.22 0.74 1.69 2.45 0.87 -0.06 -2.01 113.55 118.44 2o5m h SER 117 Ca 0.35 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2o5m h SER 117 Cb -0.09 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 2o5m h SER 117 CO -0.09 1.00 -0.32 0.11 -0.53 0.00 0.00 176.83 177.00 2o5m h LYS 118 N 0.48 0.00 -1.48 2.24 1.57 -0.90 -3.38 116.57 115.09 2o5m h LYS 118 Ca 0.07 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.39 2o5m h LYS 118 Cb 0.73 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.64 2o5m h LYS 118 CO 0.05 0.12 -1.04 0.72 -0.57 0.00 0.00 179.45 178.74 2o5m n HIS 119 N -3.06 1.73 -1.97 -1.35 8.25 -0.29 -5.09 115.22 113.45 2o5m n HIS 119 Ca 0.02 -3.23 -0.42 0.00 -0.26 0.00 0.00 57.72 53.84 2o5m n HIS 119 Cb 0.59 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2o5m n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o5m s PRO 120 N -3.09 4.23 0.00 -0.41 0.04 -0.77 -0.90 135.00 134.10 2o5m s PRO 120 Ca 0.37 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2o5m s PRO 120 Cb 0.40 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2o5m s PRO 120 CO -0.06 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2o5m n GLY 121 N 3.72 1.21 0.07 0.56 0.00 -1.26 -4.83 105.19 104.65 2o5m n GLY 121 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2o5m n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o5m n ASP 122 N 0.00 2.22 -3.61 1.61 2.03 -0.08 -4.81 116.55 113.90 2o5m n ASP 122 Ca 0.00 -2.85 -0.28 0.00 0.52 0.00 0.00 54.79 52.17 2o5m n ASP 122 Cb 0.00 -0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 39.94 2o5m n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2o5m s PHE 123 N -2.45 1.78 1.04 -0.67 5.36 -1.20 -5.02 117.98 116.83 2o5m s PHE 123 Ca 0.25 -2.42 -0.15 0.00 -0.96 0.00 0.00 56.93 53.66 2o5m s PHE 123 Cb 0.22 -1.59 0.21 0.00 -0.34 0.00 0.00 43.02 41.52 2o5m s PHE 123 CO 0.02 -0.76 1.13 0.20 -1.46 0.00 0.00 175.22 174.35 2o5m s GLY 124 N 0.08 1.59 0.19 13.12 0.00 -1.26 -4.67 107.32 116.37 2o5m s GLY 124 Ca 0.23 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.19 2o5m s GLY 124 CO -0.08 0.05 1.81 0.00 0.00 0.00 0.00 173.10 174.87 2o5m h ALA 125 N -1.99 0.78 -0.40 3.20 0.00 -1.99 -0.64 119.26 118.22 2o5m h ALA 125 Ca -0.50 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2o5m h ALA 125 Cb 1.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2o5m h ALA 125 CO 0.51 0.03 0.19 0.38 0.00 0.00 0.00 179.25 180.35 2o5m h ASP 126 N 0.65 0.52 -0.18 0.00 3.04 -2.00 -1.74 116.42 116.72 2o5m h ASP 126 Ca 0.26 -0.13 0.04 0.00 -3.24 0.00 0.00 57.03 53.95 2o5m h ASP 126 Cb 0.11 -0.13 -0.03 0.00 -1.04 0.00 0.00 39.33 38.23 2o5m h ASP 126 CO -0.15 0.51 -0.05 0.00 -2.04 0.00 0.00 179.24 177.51 2o5m h ALA 127 N 1.03 0.11 -0.67 4.15 0.00 -1.79 -0.77 119.26 121.32 2o5m h ALA 127 Ca 0.14 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2o5m h ALA 127 Cb 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2o5m h ALA 127 CO -0.02 -0.48 0.43 0.37 0.00 0.00 0.00 179.25 179.54 2o5m h GLN 128 N -0.01 0.82 -0.57 0.00 4.15 -1.05 -0.18 115.11 118.26 2o5m h GLN 128 Ca 0.09 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.50 2o5m h GLN 128 Cb 0.14 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 2o5m h GLN 128 CO -0.19 0.54 0.31 0.78 -1.93 0.00 0.00 178.83 178.35 2o5m h GLY 129 N 0.84 0.82 0.47 2.39 0.00 -0.84 -0.09 103.07 106.66 2o5m h GLY 129 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2o5m h GLY 129 CO -0.09 0.15 -0.01 0.00 0.00 0.00 0.00 176.54 176.59 2o5m h ALA 130 N 1.29 -0.04 -0.94 3.60 0.00 -0.78 -1.79 119.26 120.59 2o5m h ALA 130 Ca 0.25 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2o5m h ALA 130 Cb 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 2o5m h ALA 130 CO -0.15 -0.26 0.59 1.98 0.00 0.00 0.00 179.25 181.41 2o5m h MET 131 N -0.57 0.98 -0.07 0.00 -1.53 -1.01 -0.76 114.93 111.97 2o5m h MET 131 Ca -0.00 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 2o5m h MET 131 Cb 0.53 -0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.35 2o5m h MET 131 CO 0.01 0.65 0.03 1.15 0.14 0.00 0.00 176.91 178.89 2o5m h THR 132 N 1.01 1.11 -0.68 -0.77 2.02 -0.92 -0.43 112.91 114.26 2o5m h THR 132 Ca 0.43 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 67.38 2o5m h THR 132 Cb 0.30 1.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 2o5m h THR 132 CO -0.21 0.10 0.29 0.11 0.37 0.00 0.00 175.52 176.17 2o5m h LYS 133 N -0.02 0.47 -0.58 6.66 1.57 -0.91 0.11 116.57 123.87 2o5m h LYS 133 Ca 0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2o5m h LYS 133 Cb 0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2o5m h LYS 133 CO -0.00 0.31 0.26 0.00 -0.57 0.00 0.00 179.45 179.45 2o5m h ALA 134 N 1.45 0.74 -0.32 3.86 0.00 -0.69 -0.38 119.26 123.92 2o5m h ALA 134 Ca 0.35 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2o5m h ALA 134 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2o5m h ALA 134 CO -0.32 0.33 -0.40 -0.07 0.00 0.00 0.00 179.25 178.79 2o5m h LEU 135 N 0.78 0.83 -0.41 0.00 3.38 -0.68 -2.04 115.31 117.17 2o5m h LEU 135 Ca 0.20 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2o5m h LEU 135 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2o5m h LEU 135 CO -0.02 1.12 0.20 -0.33 0.09 0.00 0.00 178.44 179.50 2o5m h GLU 136 N 0.64 0.59 -0.33 1.13 5.08 -0.67 -1.13 114.58 119.88 2o5m h GLU 136 Ca 0.05 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2o5m h GLU 136 Cb 0.95 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2o5m h GLU 136 CO 0.09 0.51 0.05 1.25 -1.00 0.00 0.00 179.01 179.90 2o5m h LEU 137 N 0.52 -0.03 0.16 1.33 5.85 -0.86 0.39 115.31 122.68 2o5m h LEU 137 Ca 0.14 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2o5m h LEU 137 Cb 0.11 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2o5m h LEU 137 CO -0.02 0.02 -0.32 0.15 -0.34 0.00 0.00 178.44 177.93 2o5m h PHE 138 N 0.16 -0.87 -0.53 1.25 3.57 -1.31 -0.06 116.94 119.15 2o5m h PHE 138 Ca 0.16 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2o5m h PHE 138 Cb 0.19 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2o5m h PHE 138 CO -0.20 -0.43 0.23 -0.09 -2.23 0.00 0.00 178.31 175.59 2o5m h ARG 139 N -0.57 0.43 -0.46 1.11 2.43 -0.98 -1.32 114.38 115.03 2o5m h ARG 139 Ca 0.02 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2o5m h ARG 139 Cb 0.58 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2o5m h ARG 139 CO -0.16 0.29 -0.12 -0.97 -1.51 0.00 0.00 179.97 177.49 2o5m h ASN 140 N 0.45 0.83 -0.12 -3.80 -1.24 0.05 0.14 115.58 111.88 2o5m h ASN 140 Ca 0.25 -0.26 -0.17 0.00 0.71 0.00 0.00 56.30 56.83 2o5m h ASN 140 Cb 0.22 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 2o5m h ASN 140 CO -0.21 0.96 -0.54 0.44 -1.29 0.00 0.00 177.43 176.80 2o5m h ASP 141 N 0.75 0.79 -0.15 1.15 3.32 -0.76 -0.96 116.42 120.56 2o5m h ASP 141 Ca 0.12 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 2o5m h ASP 141 Cb 0.62 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2o5m h ASP 141 CO 0.04 1.17 0.09 0.40 -1.72 0.00 0.00 179.24 179.22 2o5m h ILE 142 N 0.55 1.08 -1.00 0.35 2.04 -0.96 -2.73 117.51 116.83 2o5m h ILE 142 Ca 0.01 -0.21 0.18 0.00 1.00 0.00 0.00 64.86 65.85 2o5m h ILE 142 Cb 1.11 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 38.03 2o5m h ILE 142 CO 0.11 0.07 0.62 0.00 0.00 0.00 0.00 178.15 178.95 2o5m h ALA 143 N 1.00 1.68 -0.34 1.87 0.00 -0.43 0.11 119.26 123.16 2o5m h ALA 143 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2o5m h ALA 143 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2o5m h ALA 143 CO -0.01 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.42 2o5m h ALA 144 N 1.62 0.42 -0.52 0.00 0.00 -0.88 -0.80 119.26 119.10 2o5m h ALA 144 Ca 0.56 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 2o5m h ALA 144 Cb 0.85 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2o5m h ALA 144 CO -0.35 -0.13 0.03 0.87 0.00 0.00 0.00 179.25 179.67 2o5m h LYS 145 N 0.44 0.85 -0.65 0.00 1.79 -0.73 -1.79 116.57 116.48 2o5m h LYS 145 Ca 0.13 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2o5m h LYS 145 Cb -0.04 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 2o5m h LYS 145 CO -0.04 0.83 0.42 1.88 -1.08 0.00 0.00 179.45 181.47 2o5m h TYR 146 N 0.80 0.83 -0.44 -1.35 -1.99 -0.62 -2.04 116.97 112.16 2o5m h TYR 146 Ca 0.16 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 2o5m h TYR 146 Cb 0.44 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 2o5m h TYR 146 CO 0.02 0.53 0.16 -0.22 -0.00 0.00 0.00 178.16 178.65 2o5m h LYS 147 N 0.89 0.66 -0.67 4.88 3.64 -0.78 0.27 116.57 125.46 2o5m h LYS 147 Ca 0.24 -0.13 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 2o5m h LYS 147 Cb -0.09 -0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 31.52 2o5m h LYS 147 CO -0.05 0.63 0.04 1.49 -2.27 0.00 0.00 179.45 179.29 2o5m h GLU 148 N 0.56 0.15 -0.00 1.90 4.81 -1.10 -0.89 114.58 120.00 2o5m h GLU 148 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2o5m h GLU 148 Cb 0.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2o5m h GLU 148 CO -0.01 0.10 -0.04 1.28 -0.73 0.00 0.00 179.01 179.61 2o5m n LEU 149 N -5.26 0.09 -1.87 1.64 4.77 -0.79 -4.91 117.00 110.68 2o5m n LEU 149 Ca 0.11 0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 2o5m n LEU 149 Cb 0.40 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2o5m n LEU 149 CO 0.10 0.02 -0.21 0.61 -1.33 0.00 0.00 177.39 176.58 2o5m n GLY 150 N 1.36 -0.30 3.68 -0.72 0.00 -0.18 -4.97 105.19 104.06 2o5m n GLY 150 Ca 0.12 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2o5m n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o5m s PHE 151 N -2.82 3.45 0.00 1.61 5.36 -0.09 -5.01 117.98 120.47 2o5m s PHE 151 Ca 0.00 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 2o5m s PHE 151 Cb -0.00 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 2o5m s PHE 151 CO 0.00 -0.07 0.00 1.04 -1.46 0.00 0.00 175.22 174.73