#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5t s LEU 2 N 0.00 4.31 0.91 0.99 1.02 -1.26 -5.10 118.68 119.54 2o5t s LEU 2 Ca 0.00 0.61 -0.12 0.00 0.02 0.00 0.00 54.13 54.65 2o5t s LEU 2 Cb 0.00 -3.11 0.14 0.00 0.02 0.00 0.00 46.19 43.24 2o5t s LEU 2 CO 0.00 0.12 1.09 -0.94 0.02 0.00 0.00 176.35 176.64 2o5t s SER 3 N -2.16 3.38 0.21 2.29 1.04 -1.26 -4.81 113.70 112.40 2o5t s SER 3 Ca 0.37 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.15 2o5t s SER 3 Cb -0.13 -2.12 0.26 0.00 0.10 0.00 0.00 66.02 64.13 2o5t s SER 3 CO 0.22 -2.69 1.80 0.44 0.98 0.00 0.00 173.24 173.99 2o5t h ASP 4 N -1.58 0.53 -0.65 7.02 3.32 -1.99 -0.45 116.42 122.62 2o5t h ASP 4 Ca -0.50 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.60 2o5t h ASP 4 Cb 1.29 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2o5t h ASP 4 CO 0.55 0.34 0.41 1.23 -1.72 0.00 0.00 179.24 180.05 2o5t h GLY 5 N 0.67 0.92 0.78 2.75 0.00 -2.00 -2.08 103.07 104.11 2o5t h GLY 5 Ca 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2o5t h GLY 5 CO -0.20 0.29 0.00 0.83 0.00 0.00 0.00 176.54 177.46 2o5t h GLU 6 N 0.83 0.01 -0.96 4.80 5.08 -1.84 -2.18 114.58 120.31 2o5t h GLU 6 Ca 0.25 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.76 2o5t h GLU 6 Cb -0.04 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 2o5t h GLU 6 CO -0.08 0.23 0.58 -1.49 -1.00 0.00 0.00 179.01 177.24 2o5t h TRP 7 N -0.20 1.03 -0.62 4.33 -0.00 -0.92 0.11 115.95 119.68 2o5t h TRP 7 Ca 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.86 2o5t h TRP 7 Cb 0.22 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.04 2o5t h TRP 7 CO -0.00 0.31 0.11 0.37 -0.00 0.00 0.00 178.44 179.23 2o5t h GLN 8 N 0.82 1.01 -0.09 0.49 4.15 -1.06 -0.88 115.11 119.55 2o5t h GLN 8 Ca 0.52 -0.26 0.01 0.00 0.77 0.00 0.00 58.65 59.69 2o5t h GLN 8 Cb 0.67 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 2o5t h GLN 8 CO -0.33 0.94 0.01 1.96 -1.93 0.00 0.00 178.83 179.48 2o5t h GLN 9 N 0.92 0.04 -0.29 1.69 4.20 -0.79 -0.20 115.11 120.69 2o5t h GLN 9 Ca 0.19 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.96 2o5t h GLN 9 Cb 0.41 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 2o5t h GLN 9 CO 0.01 0.03 -0.18 0.28 -0.67 0.00 0.00 178.83 178.30 2o5t h VAL 10 N 0.04 0.49 0.00 -0.54 2.07 -0.70 -0.11 116.25 117.51 2o5t h VAL 10 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2o5t h VAL 10 Cb 0.04 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2o5t h VAL 10 CO -0.06 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.33 2o5t h LEU 11 N -0.15 0.00 0.11 2.57 3.38 -1.06 -0.98 115.31 119.18 2o5t h LEU 11 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2o5t h LEU 11 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2o5t h LEU 11 CO -0.38 0.13 -0.05 -1.13 0.09 0.00 0.00 178.44 177.10 2o5t h ASN 12 N 0.00 -0.12 -0.66 -0.43 -0.73 -0.49 -2.72 115.58 110.43 2o5t h ASN 12 Ca -0.00 -0.39 0.14 0.00 1.87 0.00 0.00 56.30 57.92 2o5t h ASN 12 Cb 0.83 0.03 -0.10 0.00 0.27 0.00 0.00 38.32 39.35 2o5t h ASN 12 CO 0.02 0.35 0.07 0.58 -0.37 0.00 0.00 177.43 178.08 2o5t h VAL 13 N -0.64 0.51 0.00 2.57 2.07 -0.90 -2.04 116.25 117.82 2o5t h VAL 13 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2o5t h VAL 13 Cb 0.50 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2o5t h VAL 13 CO 0.02 0.03 -0.04 -0.25 0.02 0.00 0.00 177.57 177.36 2o5t h TRP 14 N 0.18 0.00 -1.05 1.57 2.91 -1.15 0.63 115.95 119.03 2o5t h TRP 14 Ca 0.35 0.00 0.28 0.00 1.13 0.00 0.00 58.89 60.65 2o5t h TRP 14 Cb 0.58 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.15 2o5t h TRP 14 CO -0.32 0.04 0.71 0.78 -1.03 0.00 0.00 178.44 178.61 2o5t h GLY 15 N 0.14 0.79 0.99 2.65 0.00 -1.03 -0.47 103.07 106.14 2o5t h GLY 15 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2o5t h GLY 15 CO 0.00 -0.09 -0.27 0.50 0.00 0.00 0.00 176.54 176.68 2o5t h LYS 16 N 0.26 0.75 -0.57 4.80 1.57 -0.99 -3.01 116.57 119.38 2o5t h LYS 16 Ca 0.57 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2o5t h LYS 16 Cb 1.69 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 2o5t h LYS 16 CO -0.19 1.00 -0.03 0.28 -0.57 0.00 0.00 179.45 179.93 2o5t h VAL 17 N 0.51 1.27 0.00 0.50 2.07 -1.17 -2.90 116.25 116.53 2o5t h VAL 17 Ca 0.06 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2o5t h VAL 17 Cb 0.84 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2o5t h VAL 17 CO 0.07 0.42 0.00 -0.33 0.02 0.00 0.00 177.57 177.75 2o5t h GLU 18 N 0.92 0.00 0.00 1.57 5.08 -1.20 -1.97 114.58 118.98 2o5t h GLU 18 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2o5t h GLU 18 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2o5t h GLU 18 CO 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.94 2o5t h ALA 19 N 2.01 0.96 -1.23 3.43 0.00 -1.38 -3.38 119.26 119.68 2o5t h ALA 19 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 2o5t h ALA 19 Cb 0.29 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.83 2o5t h ALA 19 CO 0.00 0.13 -0.68 -3.47 0.00 0.00 0.00 179.25 175.23 2o5t n ASP 20 N -3.16 -2.23 -0.08 0.00 2.03 -0.79 -5.04 116.55 107.28 2o5t n ASP 20 Ca 0.02 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.37 2o5t n ASP 20 Cb 0.48 0.95 -0.05 0.00 -0.72 0.00 0.00 41.12 41.78 2o5t n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o5t h ILE 21 N 4.16 1.28 -0.68 5.18 6.09 -1.60 -1.49 117.51 130.44 2o5t h ILE 21 Ca 0.07 -1.03 -0.04 0.00 -1.37 0.00 0.00 64.86 62.49 2o5t h ILE 21 Cb 1.02 1.50 -0.03 0.00 0.47 0.00 0.00 36.82 39.78 2o5t h ILE 21 CO 0.21 0.32 0.27 0.00 -3.07 0.00 0.00 178.15 175.88 2o5t h ALA 22 N 0.75 0.89 -0.16 0.18 0.00 -1.87 0.25 119.26 119.29 2o5t h ALA 22 Ca 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2o5t h ALA 22 Cb 0.50 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2o5t h ALA 22 CO 0.02 0.51 -0.07 0.78 0.00 0.00 0.00 179.25 180.49 2o5t h GLY 23 N 0.97 0.37 0.98 0.00 0.00 -1.90 0.02 103.07 103.51 2o5t h GLY 23 Ca 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2o5t h GLY 23 CO -0.02 0.29 0.20 0.45 0.00 0.00 0.00 176.54 177.46 2o5t h HIS 24 N 0.02 0.42 0.03 5.60 -0.00 -1.23 -1.80 115.15 118.19 2o5t h HIS 24 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2o5t h HIS 24 Cb 0.54 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.78 2o5t h HIS 24 CO 0.06 0.30 -0.17 0.78 -0.00 0.00 0.00 177.93 178.90 2o5t h GLY 25 N 0.42 -0.25 0.70 2.45 0.00 -0.41 -0.80 103.07 105.17 2o5t h GLY 25 Ca 0.12 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.68 2o5t h GLY 25 CO -0.02 -0.16 -0.06 -1.61 0.00 0.00 0.00 176.54 174.68 2o5t h GLN 26 N -0.30 -0.06 -0.88 4.80 4.15 -0.96 -1.94 115.11 119.92 2o5t h GLN 26 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2o5t h GLN 26 Cb 0.35 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 2o5t h GLN 26 CO -0.14 -0.04 0.56 0.93 -1.93 0.00 0.00 178.83 178.20 2o5t h GLU 27 N -0.07 1.17 0.10 1.69 5.08 -1.20 0.50 114.58 121.85 2o5t h GLU 27 Ca 0.06 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2o5t h GLU 27 Cb 0.16 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2o5t h GLU 27 CO -0.14 0.80 -0.18 0.28 -1.00 0.00 0.00 179.01 178.77 2o5t h VAL 28 N 1.19 0.59 -0.24 3.13 2.07 -0.99 -0.18 116.25 121.82 2o5t h VAL 28 Ca 0.32 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 2o5t h VAL 28 Cb -0.10 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2o5t h VAL 28 CO -0.06 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.58 2o5t h LEU 29 N -0.34 0.32 -0.78 2.57 3.38 -0.90 -1.18 115.31 118.38 2o5t h LEU 29 Ca 0.03 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2o5t h LEU 29 Cb 0.36 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2o5t h LEU 29 CO -0.10 0.35 0.46 0.40 0.09 0.00 0.00 178.44 179.64 2o5t h ILE 30 N 0.27 1.00 -0.66 1.22 2.04 -0.89 0.32 117.51 120.81 2o5t h ILE 30 Ca 0.08 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2o5t h ILE 30 Cb 0.11 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2o5t h ILE 30 CO -0.01 0.15 0.42 -0.09 0.00 0.00 0.00 178.15 178.62 2o5t h ARG 31 N 0.84 0.80 -0.11 2.37 9.65 -0.58 0.23 114.38 127.59 2o5t h ARG 31 Ca 0.35 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.16 2o5t h ARG 31 Cb 0.19 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2o5t h ARG 31 CO -0.18 0.53 -0.00 1.25 2.80 0.00 0.00 179.97 184.36 2o5t h LEU 32 N 0.82 0.19 -0.55 3.80 5.85 -0.61 -1.33 115.31 123.48 2o5t h LEU 32 Ca 0.26 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2o5t h LEU 32 Cb -0.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2o5t h LEU 32 CO -0.09 0.46 0.15 -0.26 -0.34 0.00 0.00 178.44 178.35 2o5t h PHE 33 N -0.09 0.90 0.03 1.25 0.04 -0.79 0.11 116.94 118.39 2o5t h PHE 33 Ca 0.03 -0.10 -0.25 0.00 2.80 0.00 0.00 57.97 60.45 2o5t h PHE 33 Cb 0.36 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.27 2o5t h PHE 33 CO 0.04 0.78 -1.04 1.79 -0.60 0.00 0.00 178.31 179.27 2o5t h THR 34 N 0.77 1.36 0.00 -1.55 1.35 -0.95 -2.90 112.91 110.98 2o5t h THR 34 Ca 0.17 -2.45 -0.15 0.00 -0.55 0.00 0.00 66.41 63.44 2o5t h THR 34 Cb 0.32 2.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.21 2o5t h THR 34 CO -0.00 0.74 -0.71 1.23 -0.25 0.00 0.00 175.52 176.53 2o5t h GLY 35 N 0.92 0.00 -6.39 5.82 0.00 -1.20 -3.40 103.07 98.82 2o5t h GLY 35 Ca -0.11 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.63 2o5t h GLY 35 CO 0.19 0.00 -0.94 1.42 0.00 0.00 0.00 176.54 177.21 2o5t n HIS 36 N -3.51 -0.22 0.31 5.60 8.25 0.38 -4.99 115.22 121.04 2o5t n HIS 36 Ca -0.00 -3.49 0.19 0.00 -0.26 0.00 0.00 57.72 54.16 2o5t n HIS 36 Cb 0.74 0.05 1.04 0.00 1.12 0.00 0.00 29.99 32.94 2o5t n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2o5t h PRO 37 N 5.33 0.00 -0.04 -0.41 0.11 -1.73 -0.26 132.00 135.01 2o5t h PRO 37 Ca 0.22 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.35 2o5t h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2o5t h PRO 37 CO 0.44 0.00 0.03 1.05 -0.21 0.00 0.00 178.00 179.31 2o5t h GLU 38 N 0.00 0.00 -0.49 1.05 9.09 -1.93 -2.18 114.58 120.13 2o5t h GLU 38 Ca 0.01 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.30 2o5t h GLU 38 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.21 2o5t h GLU 38 CO -0.00 0.00 -0.16 1.79 0.05 0.00 0.00 179.01 180.69 2o5t h THR 39 N 0.00 1.27 -0.85 -1.06 1.35 -1.36 -2.60 112.91 109.66 2o5t h THR 39 Ca 0.02 -1.31 0.11 0.00 -0.55 0.00 0.00 66.41 64.69 2o5t h THR 39 Cb 0.09 1.06 -0.06 0.00 -1.73 0.00 0.00 68.15 67.50 2o5t h THR 39 CO -0.00 0.45 0.55 0.25 -0.25 0.00 0.00 175.52 176.52 2o5t h LEU 40 N 0.83 0.68 -1.73 3.87 5.85 -1.52 -1.44 115.31 121.84 2o5t h LEU 40 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2o5t h LEU 40 Cb 0.71 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2o5t h LEU 40 CO 0.05 0.38 0.00 -0.33 -0.34 0.00 0.00 178.44 178.21 2o5t h GLU 41 N 0.74 0.00 0.00 1.25 4.39 -1.51 -1.73 114.58 117.73 2o5t h GLU 41 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2o5t h GLU 41 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2o5t h GLU 41 CO -0.17 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.31 2o5t n LYS 42 N -2.62 0.02 -3.76 2.33 4.76 -0.54 -4.52 118.16 113.83 2o5t n LYS 42 Ca -0.01 0.06 -0.36 0.00 -2.87 0.00 0.00 58.31 55.13 2o5t n LYS 42 Cb 0.13 -1.53 -0.11 0.00 -1.84 0.00 0.00 35.03 31.68 2o5t n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2o5t s PHE 43 N -3.01 3.50 0.47 2.13 0.40 -0.65 -4.95 117.98 115.88 2o5t s PHE 43 Ca 0.12 -2.58 0.22 0.00 -0.60 0.00 0.00 56.93 54.10 2o5t s PHE 43 Cb 0.17 -3.20 1.24 0.00 0.51 0.00 0.00 43.02 41.74 2o5t s PHE 43 CO 0.49 -0.91 1.90 -0.44 0.70 0.00 0.00 175.22 176.95 2o5t h ASP 44 N 7.57 0.23 0.27 1.36 3.32 -1.82 -0.62 116.42 126.73 2o5t h ASP 44 Ca -0.08 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2o5t h ASP 44 Cb 1.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2o5t h ASP 44 CO 0.70 0.10 -0.06 2.29 -1.72 0.00 0.00 179.24 180.55 2o5t n LYS 45 N -4.42 0.82 0.00 3.56 2.85 -1.26 -3.87 118.16 115.84 2o5t n LYS 45 Ca 0.17 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2o5t n LYS 45 Cb 0.74 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 2o5t n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2o5t n PHE 46 N -0.90 0.00 0.34 5.58 3.72 -0.44 -4.76 117.46 121.00 2o5t n PHE 46 Ca 0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.71 2o5t n PHE 46 Cb 0.24 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.37 2o5t n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2o5t h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.28 -0.89 116.57 115.42 2o5t h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2o5t h LYS 47 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2o5t h LYS 47 CO 0.00 0.00 0.00 1.12 -2.00 0.00 0.00 179.45 178.57 2o5t h HIS 48 N 0.00 0.00 -3.36 0.07 2.07 -1.86 -3.42 115.15 108.65 2o5t h HIS 48 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 2o5t h HIS 48 Cb 0.35 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.26 2o5t h HIS 48 CO 0.00 0.00 0.98 -0.51 -3.07 0.00 0.00 177.93 175.33 2o5t s LEU 49 N -4.67 3.52 -0.12 6.12 1.43 -0.34 -4.86 118.68 119.76 2o5t s LEU 49 Ca 0.01 0.30 0.11 0.00 -1.03 0.00 0.00 54.13 53.51 2o5t s LEU 49 Cb 0.08 -3.32 -0.24 0.00 0.03 0.00 0.00 46.19 42.74 2o5t s LEU 49 CO 0.32 -1.42 0.38 0.29 0.23 0.00 0.00 176.35 176.15 2o5t n LYS 50 N 8.23 0.67 -4.41 1.70 4.76 -1.26 -4.96 118.16 122.88 2o5t n LYS 50 Ca 0.11 0.19 -0.26 0.00 -2.87 0.00 0.00 58.31 55.47 2o5t n LYS 50 Cb 0.49 -1.68 -0.12 0.00 -1.84 0.00 0.00 35.03 31.88 2o5t n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2o5t s THR 51 N -2.56 2.26 0.44 -0.18 -4.23 -1.26 -5.03 115.64 105.09 2o5t s THR 51 Ca -0.11 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 58.58 2o5t s THR 51 Cb 0.07 -2.06 0.34 0.00 1.34 0.00 0.00 72.50 72.19 2o5t s THR 51 CO 0.80 -0.12 1.96 -0.08 -0.54 0.00 0.00 174.62 176.64 2o5t h GLU 52 N 3.30 0.36 -0.62 3.99 4.81 -1.99 -1.51 114.58 122.92 2o5t h GLU 52 Ca -0.46 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2o5t h GLU 52 Cb 1.20 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2o5t h GLU 52 CO 0.47 0.24 0.31 0.00 -0.73 0.00 0.00 179.01 179.29 2o5t h ALA 53 N 1.68 0.80 -0.50 2.92 0.00 -1.99 0.25 119.26 122.43 2o5t h ALA 53 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2o5t h ALA 53 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2o5t h ALA 53 CO -0.08 0.35 0.32 0.93 0.00 0.00 0.00 179.25 180.77 2o5t h GLU 54 N 0.85 0.66 0.07 0.00 5.08 -1.74 -1.70 114.58 117.79 2o5t h GLU 54 Ca 0.21 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2o5t h GLU 54 Cb 0.10 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2o5t h GLU 54 CO -0.03 0.45 -0.15 0.52 -1.00 0.00 0.00 179.01 178.79 2o5t h MET 55 N 0.67 -0.28 -0.82 2.33 2.86 -0.80 -2.18 114.93 116.71 2o5t h MET 55 Ca 0.18 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.93 2o5t h MET 55 Cb -0.06 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 2o5t h MET 55 CO -0.04 -0.19 0.54 -0.22 1.06 0.00 0.00 176.91 178.06 2o5t h LYS 56 N -0.29 0.77 -0.01 1.72 1.63 -0.80 -1.65 116.57 117.95 2o5t h LYS 56 Ca 0.03 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2o5t h LYS 56 Cb 0.32 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2o5t h LYS 56 CO -0.10 0.51 -0.19 0.00 -3.45 0.00 0.00 179.45 176.23 2o5t n ALA 57 N -2.43 2.92 -2.62 5.00 0.00 -0.65 -4.84 120.51 117.89 2o5t n ALA 57 Ca 0.14 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2o5t n ALA 57 Cb 0.30 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2o5t n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2o5t s SER 58 N -2.51 6.77 0.28 0.00 0.15 -0.62 -4.91 113.70 112.87 2o5t s SER 58 Ca 0.26 0.74 0.09 0.00 0.70 0.00 0.00 55.95 57.74 2o5t s SER 58 Cb 0.20 -2.53 0.40 0.00 -1.71 0.00 0.00 66.02 62.38 2o5t s SER 58 CO 0.50 -1.00 1.65 -0.33 1.20 0.00 0.00 173.24 175.26 2o5t h GLU 59 N 8.56 0.09 -0.08 5.44 4.39 -1.88 -2.95 114.58 128.15 2o5t h GLU 59 Ca -0.22 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 2o5t h GLU 59 Cb 1.06 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2o5t h GLU 59 CO 1.05 0.61 -0.50 0.22 -1.16 0.00 0.00 179.01 179.24 2o5t h ASP 60 N 0.07 0.23 -0.47 1.42 3.58 -1.96 -0.28 116.42 119.01 2o5t h ASP 60 Ca -0.00 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 2o5t h ASP 60 Cb 0.99 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 2o5t h ASP 60 CO 0.08 0.69 0.06 0.25 -2.88 0.00 0.00 179.24 177.43 2o5t h LEU 61 N 0.17 0.76 -0.31 2.28 6.46 -1.86 0.59 115.31 123.40 2o5t h LEU 61 Ca 0.01 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 2o5t h LEU 61 Cb 0.94 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2o5t h LEU 61 CO 0.08 0.84 0.08 0.50 -0.62 0.00 0.00 178.44 179.31 2o5t h LYS 62 N 0.65 0.49 -0.27 1.25 3.64 -1.34 -0.41 116.57 120.58 2o5t h LYS 62 Ca 0.14 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2o5t h LYS 62 Cb 0.42 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2o5t h LYS 62 CO 0.01 0.56 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.42 2o5t h LYS 63 N 0.33 -0.06 -0.87 1.90 3.64 -0.85 -0.88 116.57 119.80 2o5t h LYS 63 Ca 0.10 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2o5t h LYS 63 Cb 0.29 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 2o5t h LYS 63 CO 0.00 -0.04 0.54 1.25 -2.27 0.00 0.00 179.45 178.94 2o5t h HIS 64 N -0.06 1.01 -0.75 1.91 2.76 -0.74 -1.34 115.15 117.93 2o5t h HIS 64 Ca 0.14 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 2o5t h HIS 64 Cb 0.27 -0.33 -0.07 0.00 1.55 0.00 0.00 27.41 28.83 2o5t h HIS 64 CO -0.30 0.53 0.41 0.78 -1.30 0.00 0.00 177.93 178.04 2o5t h GLY 65 N 1.00 1.15 0.99 5.26 0.00 -0.41 0.11 103.07 111.18 2o5t h GLY 65 Ca 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2o5t h GLY 65 CO -0.16 0.10 0.32 -0.84 0.00 0.00 0.00 176.54 175.96 2o5t h THR 66 N 0.70 1.19 -0.16 4.70 2.02 -0.45 -1.05 112.91 119.85 2o5t h THR 66 Ca 0.36 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 2o5t h THR 66 Cb 0.34 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2o5t h THR 66 CO -0.25 0.20 0.09 0.58 0.37 0.00 0.00 175.52 176.51 2o5t h VAL 67 N 0.78 1.09 0.33 3.16 2.07 -0.12 -1.26 116.25 122.31 2o5t h VAL 67 Ca 0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2o5t h VAL 67 Cb 0.04 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2o5t h VAL 67 CO -0.03 0.09 -0.41 0.58 0.02 0.00 0.00 177.57 177.81 2o5t h VAL 68 N 0.17 0.18 -0.03 2.57 2.07 -0.68 -1.87 116.25 118.66 2o5t h VAL 68 Ca 0.06 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.43 2o5t h VAL 68 Cb 0.06 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2o5t h VAL 68 CO -0.01 0.00 -0.65 -0.07 0.02 0.00 0.00 177.57 176.86 2o5t h LEU 69 N -0.78 0.15 -0.34 2.57 3.38 -1.20 -1.51 115.31 117.58 2o5t h LEU 69 Ca -0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2o5t h LEU 69 Cb 0.72 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2o5t h LEU 69 CO -0.11 0.76 0.21 0.74 0.09 0.00 0.00 178.44 180.12 2o5t h THR 70 N 0.09 1.11 -0.44 0.22 2.02 -1.11 0.23 112.91 115.03 2o5t h THR 70 Ca -0.01 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.93 2o5t h THR 70 Cb 1.16 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2o5t h THR 70 CO 0.09 0.11 0.28 0.00 0.37 0.00 0.00 175.52 176.37 2o5t h ALA 71 N 1.09 0.56 -0.37 6.16 0.00 -1.01 -1.59 119.26 124.10 2o5t h ALA 71 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2o5t h ALA 71 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2o5t h ALA 71 CO -0.02 -0.02 0.15 1.25 0.00 0.00 0.00 179.25 180.61 2o5t h LEU 72 N 0.57 0.51 -0.59 0.00 5.85 -1.05 -2.46 115.31 118.13 2o5t h LEU 72 Ca 0.17 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2o5t h LEU 72 Cb -0.04 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2o5t h LEU 72 CO -0.05 0.53 0.27 1.23 -0.34 0.00 0.00 178.44 180.08 2o5t h GLY 73 N 0.45 0.84 0.49 3.75 0.00 -0.43 0.45 103.07 108.62 2o5t h GLY 73 Ca 0.12 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.36 2o5t h GLY 73 CO -0.01 0.06 0.23 -1.33 0.00 0.00 0.00 176.54 175.49 2o5t h GLY 74 N 0.50 0.80 0.80 4.60 0.00 -1.08 -1.34 103.07 107.35 2o5t h GLY 74 Ca 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2o5t h GLY 74 CO -0.23 0.02 -0.01 -2.22 0.00 0.00 0.00 176.54 174.09 2o5t h ILE 75 N 0.43 1.27 -0.89 2.60 2.04 -0.99 -3.05 117.51 118.91 2o5t h ILE 75 Ca 0.28 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2o5t h ILE 75 Cb 0.30 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2o5t h ILE 75 CO -0.26 0.27 0.55 -0.07 0.00 0.00 0.00 178.15 178.64 2o5t h LEU 76 N 0.07 1.06 -1.60 1.44 3.38 -0.50 -2.26 115.31 116.89 2o5t h LEU 76 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2o5t h LEU 76 Cb 0.42 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2o5t h LEU 76 CO 0.01 0.80 0.00 0.11 0.09 0.00 0.00 178.44 179.45 2o5t h LYS 77 N 1.22 0.00 0.00 1.13 1.57 -1.15 -0.69 116.57 118.65 2o5t h LYS 77 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2o5t h LYS 77 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2o5t h LYS 77 CO -0.06 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.45 2o5t n LYS 78 N -2.75 0.15 -3.81 3.15 4.76 -0.85 -4.95 118.16 113.85 2o5t n LYS 78 Ca -0.00 0.28 -0.23 0.00 -2.87 0.00 0.00 58.31 55.48 2o5t n LYS 78 Cb 0.20 -1.73 0.01 0.00 -1.84 0.00 0.00 35.03 31.67 2o5t n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o5t n LYS 79 N -2.00 -4.19 0.00 1.97 5.02 -0.27 -1.45 118.16 117.26 2o5t n LYS 79 Ca 0.04 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 2o5t n LYS 79 Cb 0.29 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 2o5t n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o5t n GLY 80 N -1.75 2.27 2.52 0.72 0.00 -1.26 -4.92 105.19 102.77 2o5t n GLY 80 Ca -0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2o5t n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o5t n HIS 81 N -2.00 2.63 -0.81 1.61 8.25 -0.53 -4.64 115.22 119.73 2o5t n HIS 81 Ca 0.00 -2.78 0.08 0.00 -0.26 0.00 0.00 57.72 54.76 2o5t n HIS 81 Cb 0.00 -1.73 0.15 0.00 1.12 0.00 0.00 29.99 29.53 2o5t n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2o5t n HIS 82 N 1.49 0.26 -0.12 4.41 1.44 -1.26 -4.80 115.22 116.64 2o5t n HIS 82 Ca 0.59 -0.85 -0.05 0.00 -2.01 0.00 0.00 57.72 55.40 2o5t n HIS 82 Cb 0.25 -0.17 0.02 0.00 0.12 0.00 0.00 29.99 30.21 2o5t n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2o5t h GLU 83 N 0.59 0.02 -0.87 -1.40 4.57 -1.99 0.23 114.58 115.73 2o5t h GLU 83 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2o5t h GLU 83 Cb 1.01 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 2o5t h GLU 83 CO 0.05 0.01 0.51 0.00 -1.18 0.00 0.00 179.01 178.40 2o5t h ALA 84 N 1.39 1.25 -0.07 2.92 0.00 -2.00 -0.87 119.26 121.87 2o5t h ALA 84 Ca 0.19 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2o5t h ALA 84 Cb 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2o5t h ALA 84 CO -0.39 0.63 -0.82 0.93 0.00 0.00 0.00 179.25 179.60 2o5t h GLU 85 N 1.21 0.53 0.16 0.00 3.07 -1.75 -3.37 114.58 114.42 2o5t h GLU 85 Ca 0.31 -0.47 -0.33 0.00 -0.50 0.00 0.00 59.36 58.36 2o5t h GLU 85 Cb -0.02 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2o5t h GLU 85 CO -0.06 1.10 -1.67 1.25 -1.40 0.00 0.00 179.01 178.24 2o5t h LEU 86 N 0.34 0.53 -0.14 1.33 6.46 -0.30 -3.35 115.31 120.19 2o5t h LEU 86 Ca -0.06 -0.78 0.05 0.00 -0.12 0.00 0.00 57.88 56.97 2o5t h LEU 86 Cb 1.43 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 41.12 2o5t h LEU 86 CO 0.15 1.65 -0.31 0.50 -0.62 0.00 0.00 178.44 179.82 2o5t h LYS 87 N 0.09 -0.36 -0.55 1.25 3.64 -1.33 0.16 116.57 119.47 2o5t h LYS 87 Ca -0.31 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2o5t h LYS 87 Cb 2.07 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.95 2o5t h LYS 87 CO 0.17 -0.24 0.34 -1.00 -2.27 0.00 0.00 179.45 176.45 2o5t h PRO 88 N -0.38 0.73 -0.04 1.90 0.13 -1.75 0.33 132.00 132.93 2o5t h PRO 88 Ca 0.10 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2o5t h PRO 88 Cb 0.53 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 2o5t h PRO 88 CO -0.35 0.50 0.01 -0.07 -0.23 0.00 0.00 178.00 177.86 2o5t h LEU 89 N 0.75 0.05 -0.47 1.56 3.38 -1.43 0.07 115.31 119.23 2o5t h LEU 89 Ca 0.20 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2o5t h LEU 89 Cb -0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2o5t h LEU 89 CO -0.04 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.74 2o5t h ALA 90 N 0.81 0.44 -0.25 1.53 0.00 -0.19 -1.34 119.26 120.27 2o5t h ALA 90 Ca 0.01 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2o5t h ALA 90 Cb 0.21 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2o5t h ALA 90 CO -0.00 -0.39 -0.46 1.96 0.00 0.00 0.00 179.25 180.36 2o5t h GLN 91 N 0.11 0.64 -0.15 0.00 4.20 -0.77 -1.56 115.11 117.59 2o5t h GLN 91 Ca 0.23 -0.36 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 2o5t h GLN 91 Cb 0.35 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2o5t h GLN 91 CO -0.39 0.97 -0.55 0.66 -0.67 0.00 0.00 178.83 178.84 2o5t h SER 92 N 0.51 0.50 0.06 1.46 4.64 -0.71 -0.95 113.55 119.07 2o5t h SER 92 Ca 0.03 -0.27 -0.20 0.00 -0.47 0.00 0.00 61.79 60.88 2o5t h SER 92 Cb 1.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2o5t h SER 92 CO 0.09 0.96 -0.73 0.45 -0.87 0.00 0.00 176.83 176.73 2o5t h HIS 93 N 0.35 0.79 0.45 4.77 3.86 -1.04 -0.07 115.15 124.25 2o5t h HIS 93 Ca 0.01 -0.34 -0.02 0.00 -1.16 0.00 0.00 60.37 58.85 2o5t h HIS 93 Cb 1.08 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2o5t h HIS 93 CO 0.04 1.13 -0.21 0.00 0.86 0.00 0.00 177.93 179.74 2o5t h ALA 94 N 0.78 -0.60 0.20 2.45 0.00 -1.29 0.31 119.26 121.12 2o5t h ALA 94 Ca -0.03 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 2o5t h ALA 94 Cb 1.32 0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.36 2o5t h ALA 94 CO 0.14 -0.60 -1.54 1.15 0.00 0.00 0.00 179.25 178.39 2o5t h THR 95 N -1.07 1.11 0.00 0.00 2.02 -1.24 -2.83 112.91 110.91 2o5t h THR 95 Ca -0.06 -2.56 -0.04 0.00 0.77 0.00 0.00 66.41 64.51 2o5t h THR 95 Cb 0.54 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 2o5t h THR 95 CO 0.10 0.81 -0.53 0.50 0.37 0.00 0.00 175.52 176.78 2o5t h LYS 96 N 0.03 0.00 0.00 6.66 3.64 -1.18 -3.40 116.57 122.32 2o5t h LYS 96 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2o5t h LYS 96 Cb 2.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 2o5t h LYS 96 CO 0.20 0.25 -0.45 0.72 -2.27 0.00 0.00 179.45 177.90 2o5t n HIS 97 N -4.61 0.35 -3.54 1.91 8.25 -0.38 -4.97 115.22 112.22 2o5t n HIS 97 Ca -0.11 0.10 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 2o5t n HIS 97 Cb 0.31 -0.54 0.05 0.00 1.12 0.00 0.00 29.99 30.93 2o5t n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2o5t n LYS 98 N -1.86 -3.74 -3.40 -0.41 4.76 -0.09 -4.96 118.16 108.46 2o5t n LYS 98 Ca 0.05 0.68 -0.43 0.00 -2.87 0.00 0.00 58.31 55.74 2o5t n LYS 98 Cb 0.39 -5.23 -0.09 0.00 -1.84 0.00 0.00 35.03 28.26 2o5t n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2o5t s ILE 99 N -3.51 5.19 0.57 -0.18 -1.09 0.91 -4.99 121.20 118.09 2o5t s ILE 99 Ca 0.21 -0.57 -0.21 0.00 -2.23 0.00 0.00 60.65 57.85 2o5t s ILE 99 Cb -0.05 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2o5t s ILE 99 CO 0.79 -0.38 1.34 -2.84 -1.23 0.00 0.00 174.94 172.63 2o5t s PRO 100 N 1.86 3.03 0.49 2.79 0.01 -1.26 -4.64 135.00 137.28 2o5t s PRO 100 Ca 0.08 2.19 0.26 0.00 0.01 0.00 0.00 61.00 63.54 2o5t s PRO 100 Cb -0.19 -2.17 1.32 0.00 0.01 0.00 0.00 34.50 33.48 2o5t s PRO 100 CO 0.11 -1.27 1.87 0.97 0.01 0.00 0.00 177.00 178.70 2o5t h ILE 101 N 1.26 0.60 -0.90 2.83 6.09 -1.97 0.22 117.51 125.64 2o5t h ILE 101 Ca -0.51 -0.06 0.18 0.00 -1.37 0.00 0.00 64.86 63.11 2o5t h ILE 101 Cb 1.31 0.42 -0.07 0.00 0.47 0.00 0.00 36.82 38.95 2o5t h ILE 101 CO 0.56 0.03 0.59 0.50 -3.07 0.00 0.00 178.15 176.76 2o5t h LYS 102 N 0.16 0.51 -0.02 2.19 1.63 -2.00 -0.86 116.57 118.19 2o5t h LYS 102 Ca 0.45 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 60.09 2o5t h LYS 102 Cb 1.49 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 2o5t h LYS 102 CO -0.08 0.34 -0.56 1.88 -3.45 0.00 0.00 179.45 177.58 2o5t h TYR 103 N 0.53 0.08 -0.16 1.91 -1.99 -0.91 0.50 116.97 116.92 2o5t h TYR 103 Ca 0.47 -0.03 -0.16 0.00 2.00 0.00 0.00 58.73 61.01 2o5t h TYR 103 Cb 1.00 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 2o5t h TYR 103 CO -0.00 0.61 -0.57 -0.07 -0.00 0.00 0.00 178.16 178.13 2o5t h LEU 104 N 0.05 0.56 0.15 3.88 3.38 -1.22 -0.90 115.31 121.21 2o5t h LEU 104 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2o5t h LEU 104 Cb 1.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2o5t h LEU 104 CO 0.08 1.01 -0.13 -0.08 0.09 0.00 0.00 178.44 179.41 2o5t h GLU 105 N 0.39 -0.29 -0.70 1.13 4.81 -0.82 -1.88 114.58 117.22 2o5t h GLU 105 Ca 0.00 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 2o5t h GLU 105 Cb 1.10 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 2o5t h GLU 105 CO 0.10 -0.19 0.26 0.74 -0.73 0.00 0.00 179.01 179.19 2o5t h PHE 106 N -0.30 0.45 -0.00 0.92 0.04 -0.63 -1.71 116.94 115.70 2o5t h PHE 106 Ca -0.00 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 2o5t h PHE 106 Cb 0.27 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2o5t h PHE 106 CO -0.11 0.07 -0.68 0.97 -0.60 0.00 0.00 178.31 177.95 2o5t h ILE 107 N 0.42 1.49 0.03 -0.55 2.10 -1.08 -1.07 117.51 118.85 2o5t h ILE 107 Ca 0.37 -2.33 0.01 0.00 1.08 0.00 0.00 64.86 64.00 2o5t h ILE 107 Cb 0.54 2.25 -0.02 0.00 -1.09 0.00 0.00 36.82 38.50 2o5t h ILE 107 CO -0.38 0.67 -0.09 0.28 -1.08 0.00 0.00 178.15 177.54 2o5t h SER 108 N 0.01 -0.26 -0.93 2.19 0.02 -0.67 -0.86 113.55 113.05 2o5t h SER 108 Ca -0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2o5t h SER 108 Cb 1.21 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 2o5t h SER 108 CO 0.09 -0.14 0.55 0.44 -1.14 0.00 0.00 176.83 176.63 2o5t h ASP 109 N -0.18 1.12 -0.82 3.07 3.32 -1.23 -2.39 116.42 119.32 2o5t h ASP 109 Ca 0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2o5t h ASP 109 Cb 0.21 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2o5t h ASP 109 CO -0.07 0.87 0.48 0.00 -1.72 0.00 0.00 179.24 178.80 2o5t h ALA 110 N 1.32 1.04 0.07 3.45 0.00 -0.81 -0.66 119.26 123.67 2o5t h ALA 110 Ca 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2o5t h ALA 110 Cb -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2o5t h ALA 110 CO -0.06 0.52 -0.12 0.82 0.00 0.00 0.00 179.25 180.41 2o5t h ILE 111 N 1.12 0.72 -0.66 0.00 2.04 -0.77 0.43 117.51 120.41 2o5t h ILE 111 Ca 0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.23 2o5t h ILE 111 Cb -0.02 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2o5t h ILE 111 CO -0.05 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.83 2o5t h ILE 112 N -0.24 0.88 0.20 -0.67 1.08 -1.27 -0.90 117.51 116.60 2o5t h ILE 112 Ca 0.02 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2o5t h ILE 112 Cb 0.25 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 2o5t h ILE 112 CO -0.07 0.11 -0.10 -0.74 -0.69 0.00 0.00 178.15 176.66 2o5t h HIS 113 N 0.58 -0.25 -0.84 1.37 2.76 -0.77 -2.56 115.15 115.45 2o5t h HIS 113 Ca 0.31 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.62 2o5t h HIS 113 Cb 0.29 0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.24 2o5t h HIS 113 CO -0.11 -0.06 0.42 0.28 -1.30 0.00 0.00 177.93 177.17 2o5t h VAL 114 N -0.40 0.73 -0.29 5.26 2.07 -0.80 0.13 116.25 122.95 2o5t h VAL 114 Ca -0.03 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2o5t h VAL 114 Cb 0.31 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2o5t h VAL 114 CO 0.05 0.11 0.09 -0.07 0.02 0.00 0.00 177.57 177.77 2o5t h LEU 115 N 0.61 0.09 -1.10 2.57 3.38 -1.02 0.20 115.31 120.04 2o5t h LEU 115 Ca 0.45 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 2o5t h LEU 115 Cb 0.64 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2o5t h LEU 115 CO -0.36 0.09 0.22 0.45 0.09 0.00 0.00 178.44 178.93 2o5t h HIS 116 N 0.22 0.87 -0.15 1.13 3.86 -1.14 -0.85 115.15 119.08 2o5t h HIS 116 Ca 0.13 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 2o5t h HIS 116 Cb 0.11 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2o5t h HIS 116 CO -0.14 0.68 -0.41 1.03 0.86 0.00 0.00 177.93 179.95 2o5t h SER 117 N 0.85 0.62 1.49 2.45 0.87 -0.12 -2.52 113.55 117.19 2o5t h SER 117 Ca 0.20 -0.58 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2o5t h SER 117 Cb 0.19 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2o5t h SER 117 CO -0.02 1.09 -0.10 0.11 -0.53 0.00 0.00 176.83 177.39 2o5t h LYS 118 N 0.18 0.00 -1.38 2.24 1.57 -0.66 -3.39 116.57 115.12 2o5t h LYS 118 Ca -0.01 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.35 2o5t h LYS 118 Cb 1.02 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.93 2o5t h LYS 118 CO 0.09 0.10 -1.14 0.72 -0.57 0.00 0.00 179.45 178.66 2o5t n HIS 119 N -3.16 1.20 -1.91 -1.35 8.25 -0.33 -5.08 115.22 112.84 2o5t n HIS 119 Ca 0.02 -3.16 -0.42 0.00 -0.26 0.00 0.00 57.72 53.90 2o5t n HIS 119 Cb 0.48 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2o5t n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o5t s PRO 120 N -2.98 4.20 0.00 -0.41 0.04 -0.96 -0.96 135.00 133.95 2o5t s PRO 120 Ca 0.33 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2o5t s PRO 120 Cb 0.42 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2o5t s PRO 120 CO -0.02 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2o5t n GLY 121 N 2.97 0.85 0.57 0.56 0.00 -1.26 -4.83 105.19 104.04 2o5t n GLY 121 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2o5t n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o5t n ASP 122 N 0.00 1.64 -3.43 1.61 2.03 -0.13 -4.83 116.55 113.43 2o5t n ASP 122 Ca 0.00 -3.22 -0.28 0.00 0.52 0.00 0.00 54.79 51.81 2o5t n ASP 122 Cb 0.00 -0.44 -0.11 0.00 -0.72 0.00 0.00 41.12 39.85 2o5t n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2o5t s PHE 123 N -2.37 1.04 1.00 -0.67 5.36 -1.22 -5.00 117.98 116.13 2o5t s PHE 123 Ca 0.32 -2.12 -0.13 0.00 -0.96 0.00 0.00 56.93 54.04 2o5t s PHE 123 Cb 0.31 -0.98 0.19 0.00 -0.34 0.00 0.00 43.02 42.21 2o5t s PHE 123 CO -0.05 -0.82 1.11 0.20 -1.46 0.00 0.00 175.22 174.20 2o5t s GLY 124 N 0.36 1.57 0.23 13.12 0.00 -1.26 -4.63 107.32 116.71 2o5t s GLY 124 Ca 0.27 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.44 2o5t s GLY 124 CO -0.12 0.15 1.81 0.00 0.00 0.00 0.00 173.10 174.94 2o5t h ALA 125 N -1.89 1.07 -0.20 3.20 0.00 -2.00 0.53 119.26 119.98 2o5t h ALA 125 Ca -0.53 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2o5t h ALA 125 Cb 1.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2o5t h ALA 125 CO 0.56 0.10 0.03 0.38 0.00 0.00 0.00 179.25 180.33 2o5t h ASP 126 N 0.78 0.31 -0.22 0.00 2.03 -2.00 -1.40 116.42 115.92 2o5t h ASP 126 Ca 0.36 -0.26 0.03 0.00 -0.73 0.00 0.00 57.03 56.43 2o5t h ASP 126 Cb 0.27 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 38.66 2o5t h ASP 126 CO -0.22 0.49 0.02 0.00 -1.03 0.00 0.00 179.24 178.51 2o5t h ALA 127 N 0.83 0.21 -0.15 4.15 0.00 -1.83 -0.95 119.26 121.52 2o5t h ALA 127 Ca 0.06 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2o5t h ALA 127 Cb 0.31 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2o5t h ALA 127 CO 0.00 -0.41 -0.13 0.37 0.00 0.00 0.00 179.25 179.09 2o5t h GLN 128 N 0.10 -0.14 -0.36 0.00 4.15 -0.86 0.13 115.11 118.13 2o5t h GLN 128 Ca 0.10 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.61 2o5t h GLN 128 Cb 0.12 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.75 2o5t h GLN 128 CO -0.16 -0.09 -0.27 0.78 -1.93 0.00 0.00 178.83 177.16 2o5t h GLY 129 N -0.14 -0.14 0.82 2.39 0.00 -1.02 0.34 103.07 105.31 2o5t h GLY 129 Ca 0.10 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2o5t h GLY 129 CO -0.24 -0.21 -0.32 0.00 0.00 0.00 0.00 176.54 175.78 2o5t h ALA 130 N 0.86 -0.79 -0.84 3.60 0.00 -0.90 -1.29 119.26 119.90 2o5t h ALA 130 Ca 0.17 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2o5t h ALA 130 Cb 0.50 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 2o5t h ALA 130 CO -0.49 -0.96 0.46 1.98 0.00 0.00 0.00 179.25 180.24 2o5t h MET 131 N -0.78 0.70 -0.51 0.00 1.85 -0.92 -0.88 114.93 114.39 2o5t h MET 131 Ca -0.05 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2o5t h MET 131 Cb 0.65 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 2o5t h MET 131 CO 0.04 0.46 0.32 1.15 -0.40 0.00 0.00 176.91 178.48 2o5t h THR 132 N 0.72 1.15 -0.72 -0.77 2.02 -0.67 -1.39 112.91 113.26 2o5t h THR 132 Ca 0.43 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 2o5t h THR 132 Cb 0.49 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2o5t h THR 132 CO -0.30 0.15 0.44 0.11 0.37 0.00 0.00 175.52 176.30 2o5t h LYS 133 N 0.69 0.96 -0.71 6.66 1.57 -0.76 -0.05 116.57 124.94 2o5t h LYS 133 Ca 0.19 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2o5t h LYS 133 Cb -0.04 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2o5t h LYS 133 CO -0.04 0.67 0.31 0.00 -0.57 0.00 0.00 179.45 179.83 2o5t h ALA 134 N 1.24 0.92 -0.26 3.86 0.00 -0.89 -0.29 119.26 123.83 2o5t h ALA 134 Ca 0.26 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2o5t h ALA 134 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2o5t h ALA 134 CO -0.05 0.52 -0.51 -0.07 0.00 0.00 0.00 179.25 179.13 2o5t h LEU 135 N 1.01 0.82 -0.34 0.00 3.38 -1.04 -1.58 115.31 117.56 2o5t h LEU 135 Ca 0.24 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2o5t h LEU 135 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2o5t h LEU 135 CO -0.02 1.18 0.16 -0.33 0.09 0.00 0.00 178.44 179.52 2o5t h GLU 136 N 0.58 0.48 -0.37 1.13 5.08 -0.86 -0.36 114.58 120.27 2o5t h GLU 136 Ca 0.02 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2o5t h GLU 136 Cb 1.09 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 2o5t h GLU 136 CO 0.11 0.44 -0.16 1.25 -1.00 0.00 0.00 179.01 179.64 2o5t h LEU 137 N 0.41 -0.56 0.23 1.33 5.85 -0.89 0.51 115.31 122.18 2o5t h LEU 137 Ca 0.12 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2o5t h LEU 137 Cb 0.11 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2o5t h LEU 137 CO -0.01 -0.20 -0.38 0.15 -0.34 0.00 0.00 178.44 177.66 2o5t h PHE 138 N -0.10 -1.04 -0.46 1.25 3.57 -1.24 -0.71 116.94 118.21 2o5t h PHE 138 Ca 0.19 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 2o5t h PHE 138 Cb 0.38 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2o5t h PHE 138 CO -0.40 -0.50 0.15 -0.09 -2.23 0.00 0.00 178.31 175.25 2o5t h ARG 139 N -0.68 0.31 -0.35 1.11 2.43 -0.78 -1.60 114.38 114.82 2o5t h ARG 139 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2o5t h ARG 139 Cb 0.66 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2o5t h ARG 139 CO -0.16 0.20 -0.14 -0.97 -1.51 0.00 0.00 179.97 177.40 2o5t h ASN 140 N 0.32 0.61 0.26 -3.80 -1.24 0.20 0.69 115.58 112.61 2o5t h ASN 140 Ca 0.22 -0.18 -0.18 0.00 0.71 0.00 0.00 56.30 56.87 2o5t h ASN 140 Cb 0.23 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2o5t h ASN 140 CO -0.23 0.78 -0.70 0.44 -1.29 0.00 0.00 177.43 176.42 2o5t h ASP 141 N 0.57 0.46 -0.17 1.15 3.32 -0.86 -1.72 116.42 119.16 2o5t h ASP 141 Ca 0.10 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2o5t h ASP 141 Cb 0.57 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2o5t h ASP 141 CO 0.04 1.02 0.04 0.40 -1.72 0.00 0.00 179.24 179.01 2o5t h ILE 142 N 0.27 1.21 -0.97 0.35 2.04 -1.06 -2.91 117.51 116.44 2o5t h ILE 142 Ca -0.03 -0.68 0.14 0.00 1.00 0.00 0.00 64.86 65.30 2o5t h ILE 142 Cb 1.27 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 2o5t h ILE 142 CO 0.12 0.21 0.61 0.00 0.00 0.00 0.00 178.15 179.09 2o5t h ALA 143 N 0.83 1.65 -0.82 1.87 0.00 -0.66 0.54 119.26 122.68 2o5t h ALA 143 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2o5t h ALA 143 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2o5t h ALA 143 CO 0.00 0.07 0.50 0.00 0.00 0.00 0.00 179.25 179.83 2o5t h ALA 144 N 1.58 1.05 -0.49 0.00 0.00 -1.15 -0.74 119.26 119.50 2o5t h ALA 144 Ca 0.50 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 2o5t h ALA 144 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2o5t h ALA 144 CO -0.27 0.51 0.04 0.87 0.00 0.00 0.00 179.25 180.40 2o5t h LYS 145 N 1.13 0.79 -0.42 0.00 1.79 -0.94 -2.17 116.57 116.75 2o5t h LYS 145 Ca 0.30 -0.19 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 2o5t h LYS 145 Cb -0.05 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2o5t h LYS 145 CO -0.06 0.77 -0.01 1.88 -1.08 0.00 0.00 179.45 180.96 2o5t h TYR 146 N 0.75 0.82 -0.70 -1.35 -1.99 -0.49 -2.09 116.97 111.93 2o5t h TYR 146 Ca 0.15 -0.15 0.02 0.00 2.00 0.00 0.00 58.73 60.75 2o5t h TYR 146 Cb 0.39 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 2o5t h TYR 146 CO 0.02 0.82 0.46 -0.22 -0.00 0.00 0.00 178.16 179.24 2o5t h LYS 147 N 0.59 0.89 -0.58 4.88 3.64 -0.99 0.90 116.57 125.91 2o5t h LYS 147 Ca 0.12 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.55 2o5t h LYS 147 Cb 0.50 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2o5t h LYS 147 CO 0.02 0.59 0.15 1.49 -2.27 0.00 0.00 179.45 179.43 2o5t h GLU 148 N 0.92 0.28 0.00 1.90 4.81 -1.08 -1.02 114.58 120.39 2o5t h GLU 148 Ca 0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2o5t h GLU 148 Cb -0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2o5t h GLU 148 CO -0.07 0.19 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 2o5t n LEU 149 N -5.09 0.42 -1.92 1.64 4.77 -0.73 -4.91 117.00 111.18 2o5t n LEU 149 Ca 0.08 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.45 2o5t n LEU 149 Cb 0.29 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2o5t n LEU 149 CO 0.19 -0.20 -0.21 0.61 -1.33 0.00 0.00 177.39 176.45 2o5t n GLY 150 N 0.96 -0.32 3.69 -0.72 0.00 0.16 -4.98 105.19 103.97 2o5t n GLY 150 Ca 0.05 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2o5t n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o5t s PHE 151 N -2.84 3.46 0.00 1.61 5.36 -0.29 -5.01 117.98 120.27 2o5t s PHE 151 Ca 0.01 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 2o5t s PHE 151 Cb -0.00 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 2o5t s PHE 151 CO 0.01 -0.04 0.00 1.04 -1.46 0.00 0.00 175.22 174.77