#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5s s LEU 2 N 0.00 3.88 0.87 0.99 1.02 -1.26 -5.11 118.68 119.08 2o5s s LEU 2 Ca 0.00 0.10 -0.12 0.00 0.02 0.00 0.00 54.13 54.14 2o5s s LEU 2 Cb 0.00 -2.37 0.11 0.00 0.02 0.00 0.00 46.19 43.96 2o5s s LEU 2 CO 0.00 0.24 1.09 -0.94 0.02 0.00 0.00 176.35 176.76 2o5s s SER 3 N -1.97 3.73 0.21 2.29 1.04 -1.26 -4.82 113.70 112.91 2o5s s SER 3 Ca 0.25 1.44 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 2o5s s SER 3 Cb -0.12 -2.13 0.21 0.00 0.10 0.00 0.00 66.02 64.08 2o5s s SER 3 CO 0.17 -2.47 1.84 0.44 0.98 0.00 0.00 173.24 174.20 2o5s h ASP 4 N -1.43 0.68 -0.96 7.02 3.32 -1.99 -0.80 116.42 122.25 2o5s h ASP 4 Ca -0.49 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.58 2o5s h ASP 4 Cb 1.28 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 2o5s h ASP 4 CO 0.56 0.47 0.64 1.23 -1.72 0.00 0.00 179.24 180.41 2o5s h GLY 5 N 0.82 1.36 0.89 2.75 0.00 -1.99 -0.54 103.07 106.35 2o5s h GLY 5 Ca 0.29 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2o5s h GLY 5 CO -0.13 0.49 0.04 0.83 0.00 0.00 0.00 176.54 177.77 2o5s h GLU 6 N 1.30 0.50 -0.92 4.80 5.08 -1.81 -1.87 114.58 121.66 2o5s h GLU 6 Ca 0.35 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2o5s h GLU 6 Cb -0.14 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 2o5s h GLU 6 CO -0.08 0.61 0.60 -1.49 -1.00 0.00 0.00 179.01 177.65 2o5s h TRP 7 N 0.32 1.11 -0.85 4.33 4.06 -0.80 -0.75 115.95 123.38 2o5s h TRP 7 Ca 0.09 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 2o5s h TRP 7 Cb 0.36 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 2o5s h TRP 7 CO 0.02 0.63 0.46 0.37 -3.56 0.00 0.00 178.44 176.37 2o5s h GLN 8 N 1.14 1.19 -0.51 0.49 4.15 -0.80 -0.80 115.11 119.97 2o5s h GLN 8 Ca 0.37 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 2o5s h GLN 8 Cb 0.04 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 2o5s h GLN 8 CO -0.12 0.87 0.20 1.96 -1.93 0.00 0.00 178.83 179.82 2o5s h GLN 9 N 1.19 0.77 -0.23 1.69 4.20 -0.68 -0.27 115.11 121.77 2o5s h GLN 9 Ca 0.30 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.90 2o5s h GLN 9 Cb 0.04 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2o5s h GLN 9 CO -0.05 0.69 0.01 0.28 -0.67 0.00 0.00 178.83 179.09 2o5s h VAL 10 N 0.69 0.85 0.00 -0.54 2.07 -0.54 0.02 116.25 118.80 2o5s h VAL 10 Ca 0.17 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2o5s h VAL 10 Cb 0.21 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2o5s h VAL 10 CO -0.01 0.02 -0.25 -0.07 0.02 0.00 0.00 177.57 177.27 2o5s h LEU 11 N 0.09 0.00 -0.06 2.57 3.38 -1.05 -0.23 115.31 120.01 2o5s h LEU 11 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2o5s h LEU 11 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2o5s h LEU 11 CO -0.17 0.25 -0.03 -1.13 0.09 0.00 0.00 178.44 177.44 2o5s h ASN 12 N 0.00 0.13 -0.97 -0.43 -0.73 -0.62 -2.53 115.58 110.43 2o5s h ASN 12 Ca -0.00 -0.43 0.08 0.00 1.87 0.00 0.00 56.30 57.82 2o5s h ASN 12 Cb 1.05 -0.04 -0.07 0.00 0.27 0.00 0.00 38.32 39.53 2o5s h ASN 12 CO 0.03 0.53 0.62 0.58 -0.37 0.00 0.00 177.43 178.82 2o5s h VAL 13 N -0.27 1.02 0.00 2.57 2.07 -0.76 -2.21 116.25 118.67 2o5s h VAL 13 Ca 0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2o5s h VAL 13 Cb 0.49 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2o5s h VAL 13 CO 0.01 0.20 -0.15 -0.25 0.02 0.00 0.00 177.57 177.39 2o5s h TRP 14 N 1.07 0.00 -0.61 1.57 2.91 -0.91 -0.39 115.95 119.59 2o5s h TRP 14 Ca 0.44 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.57 2o5s h TRP 14 Cb 0.28 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.90 2o5s h TRP 14 CO -0.01 0.15 0.41 0.78 -1.03 0.00 0.00 178.44 178.74 2o5s h GLY 15 N 0.53 0.56 0.92 2.65 0.00 -0.96 -0.70 103.07 106.07 2o5s h GLY 15 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2o5s h GLY 15 CO 0.02 0.09 -0.01 0.50 0.00 0.00 0.00 176.54 177.14 2o5s h LYS 16 N 0.39 0.63 -0.54 4.80 1.57 -1.14 -2.81 116.57 119.48 2o5s h LYS 16 Ca 0.28 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2o5s h LYS 16 Cb 0.59 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2o5s h LYS 16 CO -0.08 0.75 0.33 0.28 -0.57 0.00 0.00 179.45 180.17 2o5s h VAL 17 N 0.44 1.07 0.00 0.50 2.07 -1.15 -2.95 116.25 116.23 2o5s h VAL 17 Ca 0.10 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2o5s h VAL 17 Cb 0.47 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2o5s h VAL 17 CO 0.02 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.40 2o5s h GLU 18 N 0.66 0.00 0.00 1.57 5.08 -1.00 -1.29 114.58 119.60 2o5s h GLU 18 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2o5s h GLU 18 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2o5s h GLU 18 CO -0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.75 2o5s h ALA 19 N 2.01 1.22 -0.99 3.43 0.00 -1.32 -3.36 119.26 120.25 2o5s h ALA 19 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 2o5s h ALA 19 Cb 0.29 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.84 2o5s h ALA 19 CO 0.00 0.22 -0.65 -3.47 0.00 0.00 0.00 179.25 175.34 2o5s n ASP 20 N -3.62 -2.29 -0.08 0.00 2.03 -0.54 -5.04 116.55 107.01 2o5s n ASP 20 Ca -0.01 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 2o5s n ASP 20 Cb 0.31 1.09 -0.05 0.00 -0.72 0.00 0.00 41.12 41.75 2o5s n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o5s h ILE 21 N 3.78 1.28 -0.67 5.18 2.10 -1.56 -1.31 117.51 126.30 2o5s h ILE 21 Ca 0.02 -1.07 0.04 0.00 1.08 0.00 0.00 64.86 64.93 2o5s h ILE 21 Cb 1.02 1.49 -0.05 0.00 -1.09 0.00 0.00 36.82 38.20 2o5s h ILE 21 CO 0.24 0.33 0.41 0.00 -1.08 0.00 0.00 178.15 178.05 2o5s h ALA 22 N 0.76 0.89 -0.20 0.18 0.00 -1.87 0.18 119.26 119.19 2o5s h ALA 22 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2o5s h ALA 22 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2o5s h ALA 22 CO 0.02 0.15 0.07 0.78 0.00 0.00 0.00 179.25 180.27 2o5s h GLY 23 N 0.79 0.33 1.00 0.00 0.00 -1.87 0.21 103.07 103.53 2o5s h GLY 23 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2o5s h GLY 23 CO -0.13 0.18 0.37 0.45 0.00 0.00 0.00 176.54 177.41 2o5s h HIS 24 N 0.16 0.76 -0.34 5.60 -0.00 -1.14 -1.61 115.15 118.58 2o5s h HIS 24 Ca 0.07 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2o5s h HIS 24 Cb 0.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2o5s h HIS 24 CO -0.00 0.50 0.14 0.78 -0.00 0.00 0.00 177.93 179.36 2o5s h GLY 25 N 0.79 0.54 0.63 2.45 0.00 -0.38 -0.67 103.07 106.43 2o5s h GLY 25 Ca 0.21 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2o5s h GLY 25 CO -0.04 0.27 -0.10 -1.61 0.00 0.00 0.00 176.54 175.06 2o5s h GLN 26 N 0.40 -0.13 -0.54 4.80 4.15 -0.51 -1.67 115.11 121.61 2o5s h GLN 26 Ca 0.11 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 2o5s h GLN 26 Cb 0.17 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2o5s h GLN 26 CO -0.01 -0.09 0.11 0.93 -1.93 0.00 0.00 178.83 177.84 2o5s h GLU 27 N -0.13 0.84 -0.23 1.69 5.08 -1.03 0.24 114.58 121.04 2o5s h GLU 27 Ca 0.07 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2o5s h GLU 27 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2o5s h GLU 27 CO -0.17 0.78 0.14 0.28 -1.00 0.00 0.00 179.01 179.04 2o5s h VAL 28 N 0.81 1.08 -0.49 3.13 2.07 -0.95 -0.02 116.25 121.88 2o5s h VAL 28 Ca 0.17 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 2o5s h VAL 28 Cb 0.33 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2o5s h VAL 28 CO 0.00 0.08 -0.18 -0.07 0.02 0.00 0.00 177.57 177.42 2o5s h LEU 29 N 0.29 0.99 -0.50 2.57 3.38 -0.82 -0.19 115.31 121.04 2o5s h LEU 29 Ca 0.08 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2o5s h LEU 29 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2o5s h LEU 29 CO -0.02 1.14 0.18 0.40 0.09 0.00 0.00 178.44 180.24 2o5s h ILE 30 N 0.85 1.22 -0.41 1.22 2.04 -0.84 0.40 117.51 121.98 2o5s h ILE 30 Ca 0.12 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.32 2o5s h ILE 30 Cb 0.75 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2o5s h ILE 30 CO 0.06 0.26 0.19 -0.09 0.00 0.00 0.00 178.15 178.57 2o5s h ARG 31 N 0.66 0.37 -0.21 2.37 9.65 -0.79 -0.00 114.38 126.44 2o5s h ARG 31 Ca 0.16 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 2o5s h ARG 31 Cb 0.22 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 2o5s h ARG 31 CO -0.01 0.25 -0.02 1.25 2.80 0.00 0.00 179.97 184.24 2o5s h LEU 32 N 0.38 -0.12 -0.43 3.80 5.85 -0.67 -1.58 115.31 122.55 2o5s h LEU 32 Ca 0.18 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 2o5s h LEU 32 Cb 0.11 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2o5s h LEU 32 CO -0.15 -0.03 -0.42 -0.26 -0.34 0.00 0.00 178.44 177.24 2o5s h PHE 33 N 0.04 1.04 0.00 1.25 0.04 -0.62 -0.20 116.94 118.50 2o5s h PHE 33 Ca 0.10 -0.32 -0.25 0.00 2.80 0.00 0.00 57.97 60.29 2o5s h PHE 33 Cb 0.13 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.08 2o5s h PHE 33 CO -0.19 1.13 -1.01 1.79 -0.60 0.00 0.00 178.31 179.42 2o5s h THR 34 N 0.69 1.32 0.00 -1.55 1.35 -1.02 -2.77 112.91 110.94 2o5s h THR 34 Ca 0.05 -2.32 -0.10 0.00 -0.55 0.00 0.00 66.41 63.50 2o5s h THR 34 Cb 1.00 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.80 2o5s h THR 34 CO 0.10 0.71 -0.45 1.23 -0.25 0.00 0.00 175.52 176.85 2o5s h GLY 35 N 0.69 0.00 -6.08 5.82 0.00 -1.25 -3.39 103.07 98.86 2o5s h GLY 35 Ca -0.11 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.68 2o5s h GLY 35 CO 0.19 0.00 -0.97 1.42 0.00 0.00 0.00 176.54 177.18 2o5s n HIS 36 N -3.46 -1.05 0.28 5.60 8.25 -0.09 -5.00 115.22 119.75 2o5s n HIS 36 Ca 0.00 -3.19 0.18 0.00 -0.26 0.00 0.00 57.72 54.45 2o5s n HIS 36 Cb 0.60 0.19 0.91 0.00 1.12 0.00 0.00 29.99 32.81 2o5s n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2o5s h PRO 37 N 4.94 0.00 0.00 -0.41 0.11 -1.70 -0.46 132.00 134.47 2o5s h PRO 37 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 2o5s h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2o5s h PRO 37 CO 0.38 0.00 -0.01 1.05 -0.21 0.00 0.00 178.00 179.20 2o5s h GLU 38 N 0.00 0.00 -0.17 1.05 9.09 -1.92 -2.21 114.58 120.42 2o5s h GLU 38 Ca 0.04 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.33 2o5s h GLU 38 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 2o5s h GLU 38 CO -0.00 0.01 -0.40 1.79 0.05 0.00 0.00 179.01 180.46 2o5s h THR 39 N 0.00 1.31 -0.26 -1.06 1.35 -1.40 -2.65 112.91 110.20 2o5s h THR 39 Ca -0.00 -1.54 -0.01 0.00 -0.55 0.00 0.00 66.41 64.31 2o5s h THR 39 Cb 0.02 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2o5s h THR 39 CO 0.00 0.47 0.13 0.25 -0.25 0.00 0.00 175.52 176.13 2o5s h LEU 40 N 0.32 0.31 -1.75 3.87 5.85 -1.54 -2.01 115.31 120.36 2o5s h LEU 40 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2o5s h LEU 40 Cb 0.85 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2o5s h LEU 40 CO 0.07 0.26 0.00 -0.33 -0.34 0.00 0.00 178.44 178.10 2o5s h GLU 41 N 0.35 0.00 0.00 1.25 4.39 -1.52 -1.37 114.58 117.68 2o5s h GLU 41 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2o5s h GLU 41 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2o5s h GLU 41 CO -0.01 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.47 2o5s n LYS 42 N -2.91 0.20 -3.57 2.33 4.76 -0.75 -4.53 118.16 113.68 2o5s n LYS 42 Ca -0.00 0.30 -0.40 0.00 -2.87 0.00 0.00 58.31 55.33 2o5s n LYS 42 Cb 0.22 -1.79 -0.08 0.00 -1.84 0.00 0.00 35.03 31.53 2o5s n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2o5s s PHE 43 N -3.18 3.48 0.31 2.13 0.40 -0.52 -4.94 117.98 115.66 2o5s s PHE 43 Ca 0.08 -2.11 0.08 0.00 -0.60 0.00 0.00 56.93 54.38 2o5s s PHE 43 Cb 0.11 -3.46 0.82 0.00 0.51 0.00 0.00 43.02 41.00 2o5s s PHE 43 CO 0.48 -0.96 1.75 -0.44 0.70 0.00 0.00 175.22 176.75 2o5s h ASP 44 N 8.03 0.73 0.08 1.36 3.32 -1.82 -1.11 116.42 127.01 2o5s h ASP 44 Ca -0.12 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2o5s h ASP 44 Cb 1.04 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2o5s h ASP 44 CO 0.80 0.18 -0.01 2.29 -1.72 0.00 0.00 179.24 180.79 2o5s n LYS 45 N -4.83 1.02 0.00 3.56 2.85 -1.26 -3.51 118.16 115.98 2o5s n LYS 45 Ca 0.25 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2o5s n LYS 45 Cb 0.67 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 2o5s n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2o5s n PHE 46 N -0.85 0.00 0.39 5.58 3.72 -0.58 -4.75 117.46 120.97 2o5s n PHE 46 Ca 0.22 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.68 2o5s n PHE 46 Cb 0.17 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.00 2o5s n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2o5s n LYS 47 N -0.68 0.03 0.12 -1.08 2.85 -0.53 -1.16 118.16 117.71 2o5s n LYS 47 Ca 0.00 0.33 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 2o5s n LYS 47 Cb 0.01 -1.56 0.47 0.00 -0.65 0.00 0.00 35.03 33.29 2o5s n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2o5s n HIS 48 N -1.61 0.79 -2.54 5.58 1.44 -1.26 -4.68 115.22 112.93 2o5s n HIS 48 Ca 0.03 0.29 -0.43 0.00 -2.01 0.00 0.00 57.72 55.60 2o5s n HIS 48 Cb 0.14 -0.97 -0.02 0.00 0.12 0.00 0.00 29.99 29.27 2o5s n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2o5s s LEU 49 N -4.40 3.54 0.03 2.39 1.43 -0.31 -4.87 118.68 116.50 2o5s s LEU 49 Ca 0.06 0.38 0.21 0.00 -1.03 0.00 0.00 54.13 53.75 2o5s s LEU 49 Cb 0.10 -3.38 -0.22 0.00 0.03 0.00 0.00 46.19 42.72 2o5s s LEU 49 CO 0.44 -1.40 0.63 0.29 0.23 0.00 0.00 176.35 176.54 2o5s n LYS 50 N 8.16 0.64 -4.24 1.70 4.76 -1.26 -4.96 118.16 122.96 2o5s n LYS 50 Ca 0.12 -0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 2o5s n LYS 50 Cb 0.49 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 2o5s n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2o5s s THR 51 N -3.36 1.13 0.37 -0.18 -4.23 -1.26 -5.04 115.64 103.07 2o5s s THR 51 Ca -0.06 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2o5s s THR 51 Cb 0.12 -1.75 0.25 0.00 1.34 0.00 0.00 72.50 72.46 2o5s s THR 51 CO 0.86 -0.71 2.01 -0.08 -0.54 0.00 0.00 174.62 176.17 2o5s h GLU 52 N 2.95 0.66 -0.31 3.99 4.81 -1.99 -1.30 114.58 123.40 2o5s h GLU 52 Ca -0.37 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 2o5s h GLU 52 Cb 1.19 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2o5s h GLU 52 CO 0.61 0.47 0.16 0.00 -0.73 0.00 0.00 179.01 179.52 2o5s h ALA 53 N 1.65 0.37 -0.93 2.92 0.00 -1.98 0.25 119.26 121.54 2o5s h ALA 53 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2o5s h ALA 53 Cb -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2o5s h ALA 53 CO -0.03 -0.22 0.57 0.93 0.00 0.00 0.00 179.25 180.49 2o5s h GLU 54 N 0.33 1.25 -0.24 0.00 5.08 -1.86 -0.85 114.58 118.28 2o5s h GLU 54 Ca 0.13 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2o5s h GLU 54 Cb 0.04 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2o5s h GLU 54 CO -0.08 0.86 0.10 0.52 -1.00 0.00 0.00 179.01 179.41 2o5s h MET 55 N 1.27 0.36 -0.24 2.33 2.86 -0.45 -1.98 114.93 119.08 2o5s h MET 55 Ca 0.33 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2o5s h MET 55 Cb -0.07 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2o5s h MET 55 CO -0.06 0.40 0.07 -0.22 1.06 0.00 0.00 176.91 178.15 2o5s h LYS 56 N 0.25 0.34 -0.01 1.72 1.63 -0.13 -2.21 116.57 118.16 2o5s h LYS 56 Ca 0.08 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2o5s h LYS 56 Cb 0.17 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2o5s h LYS 56 CO -0.01 0.31 -0.18 0.00 -3.45 0.00 0.00 179.45 176.12 2o5s n ALA 57 N -2.49 2.91 -2.60 5.00 0.00 -0.36 -4.84 120.51 118.13 2o5s n ALA 57 Ca 0.01 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 2o5s n ALA 57 Cb 0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 2o5s n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2o5s s SER 58 N -2.52 6.64 0.33 0.00 0.15 -0.77 -4.89 113.70 112.64 2o5s s SER 58 Ca 0.26 0.46 0.14 0.00 0.70 0.00 0.00 55.95 57.51 2o5s s SER 58 Cb 0.20 -2.50 0.58 0.00 -1.71 0.00 0.00 66.02 62.58 2o5s s SER 58 CO 0.50 -1.07 1.72 -0.33 1.20 0.00 0.00 173.24 175.26 2o5s h GLU 59 N 8.89 0.00 -0.03 5.44 4.39 -1.88 -2.88 114.58 128.50 2o5s h GLU 59 Ca -0.23 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 2o5s h GLU 59 Cb 1.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2o5s h GLU 59 CO 1.06 0.47 -0.58 0.22 -1.16 0.00 0.00 179.01 179.02 2o5s h ASP 60 N 0.00 0.12 -0.47 1.42 3.58 -1.96 -0.87 116.42 118.23 2o5s h ASP 60 Ca -0.00 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 2o5s h ASP 60 Cb 0.90 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 2o5s h ASP 60 CO 0.06 0.67 0.11 0.25 -2.88 0.00 0.00 179.24 177.45 2o5s h LEU 61 N 0.08 0.72 -0.58 2.28 6.46 -1.85 0.35 115.31 122.77 2o5s h LEU 61 Ca -0.00 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2o5s h LEU 61 Cb 1.05 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 2o5s h LEU 61 CO 0.08 0.77 0.38 0.50 -0.62 0.00 0.00 178.44 179.55 2o5s h LYS 62 N 0.63 0.76 -0.05 1.25 3.64 -1.29 0.94 116.57 122.45 2o5s h LYS 62 Ca 0.15 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2o5s h LYS 62 Cb 0.34 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2o5s h LYS 62 CO 0.00 0.51 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.46 2o5s h LYS 63 N 0.78 0.00 -0.95 1.90 3.64 -0.86 -0.66 116.57 120.43 2o5s h LYS 63 Ca 0.21 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2o5s h LYS 63 Cb -0.08 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2o5s h LYS 63 CO -0.05 0.00 0.61 1.25 -2.27 0.00 0.00 179.45 179.00 2o5s h HIS 64 N 0.00 1.21 -0.95 1.91 2.76 -0.63 -1.90 115.15 117.55 2o5s h HIS 64 Ca 0.03 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 2o5s h HIS 64 Cb 0.04 -0.41 -0.06 0.00 1.55 0.00 0.00 27.41 28.53 2o5s h HIS 64 CO -0.11 0.78 0.62 0.78 -1.30 0.00 0.00 177.93 178.69 2o5s h GLY 65 N 1.29 1.39 0.88 5.26 0.00 -0.30 0.20 103.07 111.78 2o5s h GLY 65 Ca 0.35 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.23 2o5s h GLY 65 CO -0.07 0.38 0.28 -0.84 0.00 0.00 0.00 176.54 176.29 2o5s h THR 66 N 1.17 1.04 -0.23 4.70 2.02 -0.41 -1.25 112.91 119.96 2o5s h THR 66 Ca 0.39 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 2o5s h THR 66 Cb 0.05 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2o5s h THR 66 CO -0.13 0.10 0.14 0.58 0.37 0.00 0.00 175.52 176.59 2o5s h VAL 67 N 0.56 1.09 0.17 3.16 2.07 -0.51 -1.02 116.25 121.77 2o5s h VAL 67 Ca 0.19 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2o5s h VAL 67 Cb 0.02 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2o5s h VAL 67 CO -0.09 0.09 -0.08 0.58 0.02 0.00 0.00 177.57 178.09 2o5s h VAL 68 N 0.29 0.90 0.00 2.57 2.07 -0.89 -1.72 116.25 119.46 2o5s h VAL 68 Ca 0.08 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2o5s h VAL 68 Cb 0.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2o5s h VAL 68 CO -0.02 0.06 -0.44 -0.07 0.02 0.00 0.00 177.57 177.12 2o5s h LEU 69 N -0.35 0.00 -0.59 2.57 3.38 -1.22 -1.03 115.31 118.08 2o5s h LEU 69 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2o5s h LEU 69 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2o5s h LEU 69 CO 0.04 0.44 0.12 0.74 0.09 0.00 0.00 178.44 179.87 2o5s h THR 70 N 0.00 1.25 -0.20 0.22 2.02 -1.08 0.11 112.91 115.24 2o5s h THR 70 Ca -0.00 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 2o5s h THR 70 Cb 0.97 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2o5s h THR 70 CO 0.06 0.35 0.07 0.00 0.37 0.00 0.00 175.52 176.36 2o5s h ALA 71 N 1.02 0.26 -0.67 6.16 0.00 -0.82 -1.50 119.26 123.71 2o5s h ALA 71 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2o5s h ALA 71 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2o5s h ALA 71 CO 0.01 -0.12 0.37 1.25 0.00 0.00 0.00 179.25 180.75 2o5s h LEU 72 N 0.15 0.84 -0.70 0.00 5.85 -1.07 -1.96 115.31 118.42 2o5s h LEU 72 Ca 0.06 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2o5s h LEU 72 Cb 0.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2o5s h LEU 72 CO -0.00 0.70 0.34 1.23 -0.34 0.00 0.00 178.44 180.37 2o5s h GLY 73 N 0.92 1.09 0.52 3.75 0.00 -0.58 0.11 103.07 108.88 2o5s h GLY 73 Ca 0.24 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 47.10 2o5s h GLY 73 CO -0.04 0.51 0.26 -1.33 0.00 0.00 0.00 176.54 175.95 2o5s h GLY 74 N 0.98 0.85 0.86 4.60 0.00 -1.00 -1.24 103.07 108.12 2o5s h GLY 74 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2o5s h GLY 74 CO -0.03 0.04 0.05 -2.22 0.00 0.00 0.00 176.54 174.38 2o5s h ILE 75 N 0.48 1.18 -0.72 2.60 2.04 -0.65 -3.01 117.51 119.43 2o5s h ILE 75 Ca 0.29 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2o5s h ILE 75 Cb 0.29 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2o5s h ILE 75 CO -0.25 0.17 0.37 -0.07 0.00 0.00 0.00 178.15 178.37 2o5s h LEU 76 N 0.08 0.90 -0.51 1.44 3.38 -0.47 -0.69 115.31 119.44 2o5s h LEU 76 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2o5s h LEU 76 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2o5s h LEU 76 CO -0.00 0.74 0.00 0.29 0.09 0.00 0.00 178.44 179.56 2o5s n LYS 77 N -4.35 0.11 0.00 1.13 5.02 -0.50 -0.76 118.16 118.82 2o5s n LYS 77 Ca 0.07 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.90 2o5s n LYS 77 Cb 0.11 -1.74 0.60 0.00 -0.02 0.00 0.00 35.03 33.98 2o5s n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o5s n LYS 78 N -1.95 0.01 -3.82 1.97 4.76 -0.27 -4.95 118.16 113.91 2o5s n LYS 78 Ca 0.02 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.24 2o5s n LYS 78 Cb 0.17 -1.51 0.01 0.00 -1.84 0.00 0.00 35.03 31.86 2o5s n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o5s n LYS 79 N -1.53 -4.38 0.00 1.97 5.02 0.06 -1.30 118.16 118.01 2o5s n LYS 79 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2o5s n LYS 79 Cb 0.34 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 2o5s n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o5s n GLY 80 N -1.72 3.25 2.50 0.72 0.00 -1.26 -4.92 105.19 103.75 2o5s n GLY 80 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2o5s n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o5s n HIS 81 N -2.00 2.61 -0.91 1.61 8.25 -0.42 -4.63 115.22 119.74 2o5s n HIS 81 Ca 0.00 -2.81 0.08 0.00 -0.26 0.00 0.00 57.72 54.74 2o5s n HIS 81 Cb 0.00 -1.79 0.11 0.00 1.12 0.00 0.00 29.99 29.43 2o5s n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2o5s n HIS 82 N 1.63 0.00 -0.21 4.41 1.44 -1.26 -4.80 115.22 116.43 2o5s n HIS 82 Ca 0.61 -0.90 0.02 0.00 -2.01 0.00 0.00 57.72 55.44 2o5s n HIS 82 Cb 0.25 -0.13 0.12 0.00 0.12 0.00 0.00 29.99 30.35 2o5s n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2o5s h GLU 83 N 0.00 0.21 -0.43 -1.40 4.57 -1.99 0.32 114.58 115.86 2o5s h GLU 83 Ca 0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2o5s h GLU 83 Cb 0.93 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 2o5s h GLU 83 CO 0.00 0.14 -0.15 0.00 -1.18 0.00 0.00 179.01 177.81 2o5s h ALA 84 N 1.53 0.93 0.00 2.92 0.00 -2.00 -0.26 119.26 122.38 2o5s h ALA 84 Ca 0.34 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2o5s h ALA 84 Cb 0.53 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2o5s h ALA 84 CO -0.47 0.62 -1.00 0.93 0.00 0.00 0.00 179.25 179.33 2o5s h GLU 85 N 0.71 0.58 0.21 0.00 3.07 -1.75 -3.38 114.58 114.02 2o5s h GLU 85 Ca 0.11 -0.63 -0.35 0.00 -0.50 0.00 0.00 59.36 57.99 2o5s h GLU 85 Cb 0.65 0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.76 2o5s h GLU 85 CO 0.05 1.24 -1.70 1.25 -1.40 0.00 0.00 179.01 178.45 2o5s h LEU 86 N 0.33 0.68 -0.21 1.33 6.46 -0.17 -3.34 115.31 120.38 2o5s h LEU 86 Ca -0.11 -0.94 0.06 0.00 -0.12 0.00 0.00 57.88 56.77 2o5s h LEU 86 Cb 1.65 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.29 2o5s h LEU 86 CO 0.19 1.78 -0.26 0.50 -0.62 0.00 0.00 178.44 180.02 2o5s h LYS 87 N 0.12 -0.28 -0.33 1.25 3.64 -1.21 -0.15 116.57 119.61 2o5s h LYS 87 Ca -0.33 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2o5s h LYS 87 Cb 2.12 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.99 2o5s h LYS 87 CO 0.20 -0.19 0.14 -1.00 -2.27 0.00 0.00 179.45 176.34 2o5s h PRO 88 N -0.29 0.45 -0.25 1.90 0.13 -1.74 -0.14 132.00 132.05 2o5s h PRO 88 Ca 0.12 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 2o5s h PRO 88 Cb 0.48 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2o5s h PRO 88 CO -0.37 0.37 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.62 2o5s h LEU 89 N 0.45 0.50 -0.60 1.56 3.38 -1.51 -0.75 115.31 118.35 2o5s h LEU 89 Ca 0.12 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2o5s h LEU 89 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2o5s h LEU 89 CO -0.01 0.76 0.31 0.00 0.09 0.00 0.00 178.44 179.59 2o5s h ALA 90 N 0.76 0.79 -0.25 1.53 0.00 -0.56 -0.86 119.26 120.67 2o5s h ALA 90 Ca 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2o5s h ALA 90 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2o5s h ALA 90 CO 0.03 -0.03 -0.56 1.96 0.00 0.00 0.00 179.25 180.65 2o5s h GLN 91 N 0.59 0.77 -0.26 0.00 4.20 -0.92 -1.14 115.11 118.35 2o5s h GLN 91 Ca 0.27 -0.49 -0.14 0.00 0.06 0.00 0.00 58.65 58.35 2o5s h GLN 91 Cb 0.18 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2o5s h GLN 91 CO -0.18 1.12 -0.40 0.66 -0.67 0.00 0.00 178.83 179.36 2o5s h SER 92 N 0.58 0.65 0.26 1.46 4.64 -1.01 0.68 113.55 120.81 2o5s h SER 92 Ca 0.01 -0.29 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 2o5s h SER 92 Cb 1.15 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2o5s h SER 92 CO 0.12 0.97 -0.59 0.45 -0.87 0.00 0.00 176.83 176.91 2o5s h HIS 93 N 0.50 0.43 0.08 4.77 3.86 -1.01 -0.33 115.15 123.46 2o5s h HIS 93 Ca 0.04 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2o5s h HIS 93 Cb 0.91 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2o5s h HIS 93 CO 0.04 0.85 -0.04 0.00 0.86 0.00 0.00 177.93 179.64 2o5s h ALA 94 N 1.12 -0.11 0.16 2.45 0.00 -1.16 0.17 119.26 121.88 2o5s h ALA 94 Ca -0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.31 2o5s h ALA 94 Cb 1.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2o5s h ALA 94 CO 0.10 -0.16 -1.68 1.15 0.00 0.00 0.00 179.25 178.65 2o5s h THR 95 N -0.91 1.00 0.00 0.00 2.02 -0.91 -3.14 112.91 110.96 2o5s h THR 95 Ca -0.01 -2.61 -0.16 0.00 0.77 0.00 0.00 66.41 64.40 2o5s h THR 95 Cb 0.56 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 2o5s h THR 95 CO 0.02 0.84 -1.06 1.17 0.37 0.00 0.00 175.52 176.85 2o5s n LYS 96 N -3.53 0.53 0.10 6.66 4.81 -0.48 -4.58 118.16 121.67 2o5s n LYS 96 Ca -0.22 0.54 0.12 0.00 -0.87 0.00 0.00 58.31 57.89 2o5s n LYS 96 Cb 1.06 -1.71 0.18 0.00 0.02 0.00 0.00 35.03 34.58 2o5s n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2o5s h HIS 97 N -1.00 0.00 -5.95 5.64 3.86 -1.20 -3.49 115.15 113.02 2o5s h HIS 97 Ca -0.24 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.59 2o5s h HIS 97 Cb 1.05 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.62 2o5s h HIS 97 CO -0.02 0.00 -0.85 1.63 0.86 0.00 0.00 177.93 179.54 2o5s n LYS 98 N -2.39 -3.81 -3.39 2.45 4.76 -0.30 -4.97 118.16 110.52 2o5s n LYS 98 Ca 0.03 0.66 -0.44 0.00 -2.87 0.00 0.00 58.31 55.69 2o5s n LYS 98 Cb 0.47 -5.16 -0.08 0.00 -1.84 0.00 0.00 35.03 28.42 2o5s n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2o5s s ILE 99 N -3.54 5.22 0.69 -0.18 -1.09 0.45 -5.01 121.20 117.73 2o5s s ILE 99 Ca 0.19 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.50 2o5s s ILE 99 Cb -0.05 -4.09 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 2o5s s ILE 99 CO 0.80 -0.53 1.26 -2.16 -1.23 0.00 0.00 174.94 173.08 2o5s s PRO 100 N 1.71 2.34 0.48 2.79 0.04 -1.26 -4.66 135.00 136.44 2o5s s PRO 100 Ca 0.05 1.95 0.17 0.00 0.04 0.00 0.00 61.00 63.21 2o5s s PRO 100 Cb -0.23 -1.83 1.17 0.00 0.04 0.00 0.00 34.50 33.65 2o5s s PRO 100 CO 0.08 -1.73 2.02 0.97 0.04 0.00 0.00 177.00 178.38 2o5s h ILE 101 N 0.18 0.88 -0.99 0.56 6.09 -1.97 -0.05 117.51 122.20 2o5s h ILE 101 Ca -0.50 -0.08 0.21 0.00 -1.37 0.00 0.00 64.86 63.13 2o5s h ILE 101 Cb 1.32 0.64 -0.10 0.00 0.47 0.00 0.00 36.82 39.15 2o5s h ILE 101 CO 0.51 0.04 0.62 0.50 -3.07 0.00 0.00 178.15 176.75 2o5s h LYS 102 N 0.22 0.62 -0.00 2.19 1.63 -2.00 -0.11 116.57 119.12 2o5s h LYS 102 Ca 0.21 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.88 2o5s h LYS 102 Cb 0.55 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2o5s h LYS 102 CO -0.04 0.41 -0.44 1.88 -3.45 0.00 0.00 179.45 177.81 2o5s h TYR 103 N 0.64 0.00 -0.24 1.91 -1.99 -1.34 -0.55 116.97 115.41 2o5s h TYR 103 Ca 0.57 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.21 2o5s h TYR 103 Cb 1.06 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 2o5s h TYR 103 CO -0.00 0.44 -0.26 -0.07 -0.00 0.00 0.00 178.16 178.27 2o5s h LEU 104 N 0.00 0.46 0.06 3.88 3.38 -1.11 -0.46 115.31 121.52 2o5s h LEU 104 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2o5s h LEU 104 Cb 0.78 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2o5s h LEU 104 CO 0.06 0.72 -0.04 -0.08 0.09 0.00 0.00 178.44 179.19 2o5s h GLU 105 N 0.41 -0.09 -0.54 1.13 4.81 -0.70 -1.57 114.58 118.03 2o5s h GLU 105 Ca 0.06 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2o5s h GLU 105 Cb 0.67 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 2o5s h GLU 105 CO 0.05 -0.06 0.20 0.74 -0.73 0.00 0.00 179.01 179.20 2o5s h PHE 106 N -0.09 0.34 -0.01 0.92 0.04 -0.72 -1.06 116.94 116.36 2o5s h PHE 106 Ca -0.00 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 2o5s h PHE 106 Cb 0.08 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2o5s h PHE 106 CO -0.08 0.10 -0.66 0.97 -0.60 0.00 0.00 178.31 178.05 2o5s h ILE 107 N 0.38 1.46 -0.13 -0.55 2.10 -1.00 -0.38 117.51 119.40 2o5s h ILE 107 Ca 0.26 -2.23 -0.00 0.00 1.08 0.00 0.00 64.86 63.97 2o5s h ILE 107 Cb 0.29 2.20 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 2o5s h ILE 107 CO -0.26 0.64 0.08 0.28 -1.08 0.00 0.00 178.15 177.80 2o5s h SER 108 N 0.02 0.15 -0.98 2.19 0.02 -0.81 -0.51 113.55 113.62 2o5s h SER 108 Ca -0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2o5s h SER 108 Cb 1.16 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 2o5s h SER 108 CO 0.09 0.15 0.62 0.44 -1.14 0.00 0.00 176.83 176.99 2o5s h ASP 109 N 0.14 1.15 -0.90 3.07 3.32 -0.94 -2.21 116.42 120.05 2o5s h ASP 109 Ca 0.05 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2o5s h ASP 109 Cb 0.03 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 2o5s h ASP 109 CO -0.01 0.86 0.55 0.00 -1.72 0.00 0.00 179.24 178.92 2o5s h ALA 110 N 1.34 1.15 -0.29 3.45 0.00 -0.61 -1.30 119.26 123.00 2o5s h ALA 110 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2o5s h ALA 110 Cb -0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 2o5s h ALA 110 CO -0.07 0.60 0.19 0.82 0.00 0.00 0.00 179.25 180.78 2o5s h ILE 111 N 1.24 1.08 -0.56 0.00 2.04 -0.52 0.37 117.51 121.16 2o5s h ILE 111 Ca 0.32 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 2o5s h ILE 111 Cb -0.06 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2o5s h ILE 111 CO -0.06 0.08 0.34 0.40 0.00 0.00 0.00 178.15 178.90 2o5s h ILE 112 N 0.39 1.17 0.10 -0.67 1.08 -1.08 -0.99 117.51 117.51 2o5s h ILE 112 Ca 0.11 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2o5s h ILE 112 Cb -0.04 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 2o5s h ILE 112 CO -0.02 0.17 -0.05 -0.74 -0.69 0.00 0.00 178.15 176.82 2o5s h HIS 113 N 0.75 -0.14 -0.94 1.37 2.76 -0.93 -2.48 115.15 115.56 2o5s h HIS 113 Ca 0.20 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 2o5s h HIS 113 Cb -0.01 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 28.94 2o5s h HIS 113 CO -0.02 -0.09 0.61 0.28 -1.30 0.00 0.00 177.93 177.41 2o5s h VAL 114 N -0.14 1.13 -0.44 5.26 2.07 -0.72 0.54 116.25 123.94 2o5s h VAL 114 Ca -0.01 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2o5s h VAL 114 Cb 0.11 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 2o5s h VAL 114 CO 0.02 0.21 0.28 -0.07 0.02 0.00 0.00 177.57 178.03 2o5s h LEU 115 N 1.15 0.46 -0.73 2.57 3.38 -0.99 0.10 115.31 121.26 2o5s h LEU 115 Ca 0.39 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 2o5s h LEU 115 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2o5s h LEU 115 CO -0.14 0.33 0.07 0.45 0.09 0.00 0.00 178.44 179.24 2o5s h HIS 116 N 0.56 1.11 -0.44 1.13 3.86 -0.93 -1.07 115.15 119.36 2o5s h HIS 116 Ca 0.17 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 2o5s h HIS 116 Cb -0.03 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 2o5s h HIS 116 CO -0.06 0.95 -0.26 1.03 0.86 0.00 0.00 177.93 180.45 2o5s h SER 117 N 0.97 0.97 1.40 2.45 0.87 -0.18 -2.32 113.55 117.71 2o5s h SER 117 Ca 0.19 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2o5s h SER 117 Cb 0.47 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2o5s h SER 117 CO 0.02 1.17 -0.41 0.11 -0.53 0.00 0.00 176.83 177.19 2o5s h LYS 118 N 0.80 0.00 -1.71 2.24 1.57 -0.80 -3.38 116.57 115.29 2o5s h LYS 118 Ca 0.10 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.41 2o5s h LYS 118 Cb 0.83 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.74 2o5s h LYS 118 CO 0.07 0.00 -1.11 0.72 -0.57 0.00 0.00 179.45 178.57 2o5s n HIS 119 N -2.63 1.11 -1.87 -1.35 8.25 -0.41 -5.09 115.22 113.24 2o5s n HIS 119 Ca 0.03 -3.50 -0.42 0.00 -0.26 0.00 0.00 57.72 53.57 2o5s n HIS 119 Cb 0.50 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 2o5s n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o5s s PRO 120 N -2.82 4.18 0.00 -0.41 0.04 -0.89 -1.05 135.00 134.05 2o5s s PRO 120 Ca 0.38 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2o5s s PRO 120 Cb 0.38 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2o5s s PRO 120 CO -0.06 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2o5s n GLY 121 N 3.95 1.73 0.38 0.56 0.00 -1.26 -4.84 105.19 105.72 2o5s n GLY 121 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 2o5s n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o5s n ASP 122 N 0.00 2.56 -3.50 1.61 2.03 -0.22 -4.77 116.55 114.25 2o5s n ASP 122 Ca 0.00 -3.25 -0.27 0.00 0.52 0.00 0.00 54.79 51.79 2o5s n ASP 122 Cb 0.00 -0.48 -0.11 0.00 -0.72 0.00 0.00 41.12 39.81 2o5s n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2o5s s PHE 123 N -2.95 1.58 1.07 -0.67 5.36 -1.22 -5.01 117.98 116.14 2o5s s PHE 123 Ca 0.36 -2.50 -0.15 0.00 -0.96 0.00 0.00 56.93 53.68 2o5s s PHE 123 Cb 0.31 -1.29 0.23 0.00 -0.34 0.00 0.00 43.02 41.94 2o5s s PHE 123 CO 0.02 -0.77 1.10 0.20 -1.46 0.00 0.00 175.22 174.31 2o5s s GLY 124 N -0.20 1.57 0.24 13.12 0.00 -1.26 -4.62 107.32 116.17 2o5s s GLY 124 Ca 0.30 -0.56 -0.06 0.00 0.00 0.00 0.00 44.72 44.40 2o5s s GLY 124 CO -0.18 0.15 1.89 0.00 0.00 0.00 0.00 173.10 174.96 2o5s h ALA 125 N -2.15 1.19 -0.34 3.20 0.00 -2.00 0.84 119.26 119.99 2o5s h ALA 125 Ca -0.52 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2o5s h ALA 125 Cb 1.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2o5s h ALA 125 CO 0.51 0.46 0.03 0.38 0.00 0.00 0.00 179.25 180.62 2o5s h ASP 126 N 1.15 0.56 -0.50 0.00 2.03 -2.00 -1.71 116.42 115.96 2o5s h ASP 126 Ca 0.36 -0.29 0.01 0.00 -0.73 0.00 0.00 57.03 56.38 2o5s h ASP 126 Cb -0.02 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 38.30 2o5s h ASP 126 CO -0.11 0.71 0.32 0.00 -1.03 0.00 0.00 179.24 179.12 2o5s h ALA 127 N 0.88 0.63 -0.74 4.15 0.00 -1.74 -0.66 119.26 121.77 2o5s h ALA 127 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2o5s h ALA 127 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2o5s h ALA 127 CO 0.01 0.04 0.31 0.37 0.00 0.00 0.00 179.25 179.98 2o5s h GLN 128 N 0.64 1.09 -0.53 0.00 4.15 -0.80 0.11 115.11 119.77 2o5s h GLN 128 Ca 0.19 -0.19 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2o5s h GLN 128 Cb -0.04 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 2o5s h GLN 128 CO -0.06 0.88 0.32 0.78 -1.93 0.00 0.00 178.83 178.83 2o5s h GLY 129 N 1.05 0.74 0.71 2.39 0.00 -0.86 -0.81 103.07 106.30 2o5s h GLY 129 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2o5s h GLY 129 CO -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 176.54 176.73 2o5s h ALA 130 N 1.22 0.07 -0.99 3.60 0.00 -0.76 -1.60 119.26 120.81 2o5s h ALA 130 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2o5s h ALA 130 Cb -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2o5s h ALA 130 CO -0.08 -0.24 0.64 1.98 0.00 0.00 0.00 179.25 181.55 2o5s h MET 131 N -0.21 1.32 -0.29 0.00 1.85 -0.95 -1.40 114.93 115.24 2o5s h MET 131 Ca 0.01 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.01 2o5s h MET 131 Cb 0.36 -0.29 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 2o5s h MET 131 CO 0.00 0.88 0.16 1.15 -0.40 0.00 0.00 176.91 178.71 2o5s h THR 132 N 1.35 1.13 -0.85 -0.77 2.02 -1.05 -0.50 112.91 114.25 2o5s h THR 132 Ca 0.36 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 67.29 2o5s h THR 132 Cb -0.13 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 2o5s h THR 132 CO -0.08 0.13 0.49 0.11 0.37 0.00 0.00 175.52 176.55 2o5s h LYS 133 N 0.36 0.80 -0.43 6.66 1.57 -0.83 0.67 116.57 125.36 2o5s h LYS 133 Ca 0.10 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2o5s h LYS 133 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2o5s h LYS 133 CO -0.02 0.53 -0.10 0.00 -0.57 0.00 0.00 179.45 179.29 2o5s h ALA 134 N 1.47 0.59 -0.25 3.86 0.00 -0.70 -0.69 119.26 123.54 2o5s h ALA 134 Ca 0.41 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2o5s h ALA 134 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2o5s h ALA 134 CO -0.25 0.48 -0.36 -0.07 0.00 0.00 0.00 179.25 179.05 2o5s h LEU 135 N 0.66 0.58 -0.63 0.00 3.38 -0.78 -1.58 115.31 116.93 2o5s h LEU 135 Ca 0.11 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2o5s h LEU 135 Cb 0.64 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2o5s h LEU 135 CO 0.04 0.89 -0.05 -0.33 0.09 0.00 0.00 178.44 179.08 2o5s h GLU 136 N 0.46 1.01 -0.00 1.13 5.08 -0.72 -0.64 114.58 120.91 2o5s h GLU 136 Ca 0.05 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2o5s h GLU 136 Cb 0.84 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2o5s h GLU 136 CO 0.07 1.03 0.00 1.25 -1.00 0.00 0.00 179.01 180.36 2o5s h LEU 137 N 0.92 0.00 -0.23 1.33 5.85 -0.91 0.29 115.31 122.56 2o5s h LEU 137 Ca 0.15 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2o5s h LEU 137 Cb 0.61 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 2o5s h LEU 137 CO 0.04 0.02 -0.37 0.15 -0.34 0.00 0.00 178.44 177.94 2o5s h PHE 138 N -0.02 -1.04 -0.69 1.25 3.57 -1.24 0.05 116.94 118.82 2o5s h PHE 138 Ca 0.00 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2o5s h PHE 138 Cb 0.02 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2o5s h PHE 138 CO -0.07 -0.43 0.44 -0.09 -2.23 0.00 0.00 178.31 175.93 2o5s h ARG 139 N -0.38 0.85 -0.48 1.11 2.43 -0.88 -1.52 114.38 115.50 2o5s h ARG 139 Ca 0.11 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 2o5s h ARG 139 Cb 0.58 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2o5s h ARG 139 CO -0.44 0.56 -0.18 -0.97 -1.51 0.00 0.00 179.97 177.43 2o5s h ASN 140 N 0.87 0.96 -0.06 -3.80 -1.24 -0.11 0.10 115.58 112.30 2o5s h ASN 140 Ca 0.27 -0.34 -0.11 0.00 0.71 0.00 0.00 56.30 56.83 2o5s h ASN 140 Cb -0.03 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 2o5s h ASN 140 CO -0.09 1.11 -0.30 0.44 -1.29 0.00 0.00 177.43 177.30 2o5s h ASP 141 N 0.83 0.53 -0.41 1.15 3.32 -0.76 -1.85 116.42 119.23 2o5s h ASP 141 Ca 0.12 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2o5s h ASP 141 Cb 0.73 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2o5s h ASP 141 CO 0.06 0.81 0.09 0.40 -1.72 0.00 0.00 179.24 178.88 2o5s h ILE 142 N 0.45 1.23 -1.00 0.35 2.04 -0.97 -2.87 117.51 116.74 2o5s h ILE 142 Ca 0.06 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.22 2o5s h ILE 142 Cb 0.75 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.73 2o5s h ILE 142 CO 0.06 0.28 0.64 0.00 0.00 0.00 0.00 178.15 179.13 2o5s h ALA 143 N 0.95 1.48 -0.56 1.87 0.00 -0.50 0.10 119.26 122.60 2o5s h ALA 143 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2o5s h ALA 143 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2o5s h ALA 143 CO 0.00 0.31 0.37 0.00 0.00 0.00 0.00 179.25 179.93 2o5s h ALA 144 N 1.51 0.71 -0.53 0.00 0.00 -1.13 0.56 119.26 120.37 2o5s h ALA 144 Ca 0.47 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 2o5s h ALA 144 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2o5s h ALA 144 CO -0.23 0.13 -0.06 0.87 0.00 0.00 0.00 179.25 179.96 2o5s h LYS 145 N 0.74 0.96 -0.50 0.00 1.79 -0.98 -1.76 116.57 116.82 2o5s h LYS 145 Ca 0.21 -0.32 0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2o5s h LYS 145 Cb -0.07 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.46 2o5s h LYS 145 CO -0.05 0.98 0.28 1.88 -1.08 0.00 0.00 179.45 181.46 2o5s h TYR 146 N 0.87 0.51 -0.84 -1.35 -1.99 -0.38 -1.97 116.97 111.82 2o5s h TYR 146 Ca 0.15 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 2o5s h TYR 146 Cb 0.59 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.13 2o5s h TYR 146 CO 0.04 0.27 0.43 -0.22 -0.00 0.00 0.00 178.16 178.68 2o5s h LYS 147 N 0.54 1.19 -0.85 4.88 3.64 -0.61 -0.55 116.57 124.82 2o5s h LYS 147 Ca 0.21 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2o5s h LYS 147 Cb 0.08 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 2o5s h LYS 147 CO -0.13 0.90 0.50 1.49 -2.27 0.00 0.00 179.45 179.95 2o5s h GLU 148 N 1.18 0.83 -0.00 1.90 4.81 -0.82 -0.91 114.58 121.57 2o5s h GLU 148 Ca 0.29 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2o5s h GLU 148 Cb 0.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2o5s h GLU 148 CO -0.04 0.55 -0.11 1.28 -0.73 0.00 0.00 179.01 179.96 2o5s n LEU 149 N -4.70 0.26 -1.98 1.64 4.77 -0.74 -4.90 117.00 111.35 2o5s n LEU 149 Ca 0.14 0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 2o5s n LEU 149 Cb 0.26 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2o5s n LEU 149 CO 0.28 0.05 -0.22 0.61 -1.33 0.00 0.00 177.39 176.78 2o5s n GLY 150 N 1.36 -0.16 3.69 -0.72 0.00 -0.35 -4.95 105.19 104.06 2o5s n GLY 150 Ca 0.11 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2o5s n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o5s s PHE 151 N -2.87 3.49 0.00 1.61 5.36 -0.35 -5.01 117.98 120.20 2o5s s PHE 151 Ca 0.00 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 2o5s s PHE 151 Cb 0.00 -2.98 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 2o5s s PHE 151 CO 0.00 -0.13 0.00 1.04 -1.46 0.00 0.00 175.22 174.67