#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo n SER 2 N 0.00 1.10 -3.76 1.61 7.64 -1.26 -4.90 113.62 114.04 1ujo n SER 2 Ca 0.00 0.87 -0.14 0.00 1.01 0.00 0.00 58.87 60.61 1ujo n SER 2 Cb 0.00 -0.93 -0.15 0.00 -1.01 0.00 0.00 64.21 62.12 1ujo n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ujo s SER 3 N 4.85 -0.03 0.00 6.43 1.04 -1.26 -4.94 113.70 119.79 1ujo s SER 3 Ca 1.13 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.73 1ujo s SER 3 Cb -1.44 0.07 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1ujo s SER 3 CO 0.71 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1ujo n GLY 4 N 4.13 0.76 3.75 7.32 0.00 -1.26 -4.85 105.19 115.03 1ujo n GLY 4 Ca -0.26 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1ujo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujo s SER 5 N -0.50 5.02 -0.16 1.61 1.04 -1.26 -4.67 113.70 114.76 1ujo s SER 5 Ca 0.00 2.53 -0.35 0.00 0.48 0.00 0.00 55.95 58.61 1ujo s SER 5 Cb 0.00 -2.61 0.14 0.00 0.10 0.00 0.00 66.02 63.65 1ujo s SER 5 CO 0.00 -1.72 1.26 -0.44 0.98 0.00 0.00 173.24 173.32 1ujo s SER 6 N -1.42 -0.10 0.00 7.02 0.01 -1.26 -5.03 113.70 112.92 1ujo s SER 6 Ca 0.78 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1ujo s SER 6 Cb -0.34 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1ujo s SER 6 CO 0.38 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1ujo n GLY 7 N -0.18 3.17 3.33 3.44 0.00 -1.26 -4.70 105.19 108.99 1ujo n GLY 7 Ca -0.01 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1ujo n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujo n GLU 8 N -1.75 -1.99 0.20 1.61 1.02 -1.26 -4.61 120.64 113.87 1ujo n GLU 8 Ca 0.00 -0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 56.48 1ujo n GLU 8 Cb 0.00 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 29.53 1ujo n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ujo h GLU 9 N -2.31 -0.58 -0.77 3.49 5.08 -1.99 -1.62 114.58 115.88 1ujo h GLU 9 Ca -0.57 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 57.90 1ujo h GLU 9 Cb 1.36 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 30.63 1ujo h GLU 9 CO 0.42 -0.39 -0.57 1.25 -1.00 0.00 0.00 179.01 178.72 1ujo h LEU 10 N -0.60 -2.04 -0.71 1.33 6.46 -1.99 -0.19 115.31 117.58 1ujo h LEU 10 Ca -0.05 0.30 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1ujo h LEU 10 Cb 0.49 0.88 -0.09 0.00 -0.73 0.00 0.00 40.66 41.22 1ujo h LEU 10 CO 0.03 -0.30 -0.43 -0.08 -0.62 0.00 0.00 178.44 177.04 1ujo h GLU 11 N -0.15 -0.01 -0.75 1.25 4.81 -1.88 1.15 114.58 119.00 1ujo h GLU 11 Ca 0.13 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.51 1ujo h GLU 11 Cb 0.49 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.73 1ujo h GLU 11 CO -0.81 -0.01 -0.21 0.93 -0.73 0.00 0.00 179.01 178.18 1ujo h GLU 12 N -0.01 -0.02 0.43 1.92 5.08 -0.08 0.95 114.58 122.86 1ujo h GLU 12 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ujo h GLU 12 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ujo h GLU 12 CO -0.67 -0.01 -0.21 -0.09 -1.00 0.00 0.00 179.01 177.03 1ujo h ARG 13 N -0.02 -0.56 -0.78 2.33 2.43 0.11 0.13 114.38 118.03 1ujo h ARG 13 Ca 0.35 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.66 1ujo h ARG 13 Cb 0.55 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 1ujo h ARG 13 CO -0.78 -0.34 -0.47 -0.07 -1.51 0.00 0.00 179.97 176.81 1ujo h LEU 14 N -0.65 -1.66 0.31 3.80 3.38 0.29 0.25 115.31 121.03 1ujo h LEU 14 Ca -0.06 0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ujo h LEU 14 Cb 0.48 0.77 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ujo h LEU 14 CO 0.10 -0.30 -0.24 0.58 0.09 0.00 0.00 178.44 178.66 1ujo h VAL 15 N -0.12 0.48 -1.44 1.22 2.07 -0.77 0.58 116.25 118.28 1ujo h VAL 15 Ca 0.21 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.15 1ujo h VAL 15 Cb 0.54 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1ujo h VAL 15 CO -0.82 0.00 1.10 -0.33 0.02 0.00 0.00 177.57 177.53 1ujo h GLU 16 N -0.56 0.00 0.00 1.57 5.08 0.17 0.73 114.58 121.57 1ujo h GLU 16 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ujo h GLU 16 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ujo h GLU 16 CO -0.01 0.00 -0.12 2.35 -1.00 0.00 0.00 179.01 180.22 1ujo h TRP 17 N 0.00 0.00 0.00 4.33 7.01 0.91 -2.99 115.95 125.21 1ujo h TRP 17 Ca 0.68 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.68 1ujo h TRP 17 Cb 2.87 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.93 1ujo h TRP 17 CO 0.00 0.69 0.29 0.82 -2.79 0.00 0.00 178.44 177.46 1ujo h ILE 18 N -1.00 0.00 0.02 2.65 2.04 0.23 0.74 117.51 122.19 1ujo h ILE 18 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ujo h ILE 18 Cb 0.70 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1ujo h ILE 18 CO -0.02 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.70 1ujo h VAL 19 N 0.00 1.47 -0.46 1.67 2.07 0.11 -1.53 116.25 119.58 1ujo h VAL 19 Ca 0.00 -1.86 -0.12 0.00 0.82 0.00 0.00 66.70 65.54 1ujo h VAL 19 Cb 0.58 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1ujo h VAL 19 CO 0.00 0.45 -0.18 -0.37 0.02 0.00 0.00 177.57 177.49 1ujo h VAL 20 N -0.88 1.27 0.07 2.57 -1.51 -0.63 1.48 116.25 118.62 1ujo h VAL 20 Ca -0.00 -1.33 -0.00 0.00 -1.23 0.00 0.00 66.70 64.13 1ujo h VAL 20 Cb 0.76 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1ujo h VAL 20 CO 0.00 0.46 -0.03 1.56 -1.23 0.00 0.00 177.57 178.33 1ujo h GLN 21 N 0.78 -0.09 0.31 5.19 1.08 0.25 -3.31 115.11 119.32 1ujo h GLN 21 Ca 0.11 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1ujo h GLN 21 Cb 0.75 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1ujo h GLN 21 CO 0.06 -0.06 -0.15 0.00 -0.95 0.00 0.00 178.83 177.73 1ujo n GLY 23 N -0.74 1.57 2.35 0.00 0.00 0.51 -4.79 105.19 104.09 1ujo n GLY 23 Ca -0.10 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.49 1ujo n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 24 N -0.70 2.30 0.00 1.61 -0.04 -1.25 -3.36 135.00 133.56 1ujo n PRO 24 Ca 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1ujo n PRO 24 Cb 0.00 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1ujo n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ujo n ASP 25 N 3.44 0.86 0.11 3.54 2.03 -1.26 -4.77 116.55 120.50 1ujo n ASP 25 Ca 0.49 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.78 1ujo n ASP 25 Cb 0.37 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.95 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ujo h VAL 26 N 0.00 1.37 0.00 5.18 -1.51 -1.90 -3.49 116.25 115.90 1ujo h VAL 26 Ca 0.00 -1.81 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 1ujo h VAL 26 Cb 0.58 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1ujo h VAL 26 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 177.57 177.48 1ujo n GLY 27 N 0.06 0.52 3.55 5.19 0.00 -1.26 -4.97 105.19 108.27 1ujo n GLY 27 Ca -0.02 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 1ujo n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo s ARG 28 N 0.00 1.85 0.94 1.61 0.52 -1.26 -4.85 118.95 117.77 1ujo s ARG 28 Ca 0.00 -2.07 -0.13 0.00 -0.52 0.00 0.00 55.73 53.00 1ujo s ARG 28 Cb 0.00 -1.13 0.16 0.00 0.52 0.00 0.00 34.95 34.50 1ujo s ARG 28 CO 0.00 -0.21 1.15 -1.25 0.02 0.00 0.00 175.30 175.01 1ujo s PRO 29 N -3.81 0.86 0.98 3.54 0.04 -1.26 -4.94 135.00 130.40 1ujo s PRO 29 Ca 0.30 0.18 -0.16 0.00 0.04 0.00 0.00 61.00 61.37 1ujo s PRO 29 Cb 0.07 -1.82 0.20 0.00 0.04 0.00 0.00 34.50 32.99 1ujo s PRO 29 CO 0.14 -2.37 1.26 -0.51 0.04 0.00 0.00 177.00 175.57 1ujo s ASP 30 N -4.10 2.95 0.81 6.66 1.01 -1.26 -4.80 116.67 117.93 1ujo s ASP 30 Ca 0.65 0.42 -0.10 0.00 0.71 0.00 0.00 52.55 54.23 1ujo s ASP 30 Cb -0.13 -0.57 0.08 0.00 1.01 0.00 0.00 42.92 43.30 1ujo s ASP 30 CO 0.54 -2.85 1.10 0.00 0.21 0.00 0.00 175.17 174.17 1ujo s ARG 31 N -5.75 1.96 0.61 8.23 3.03 -1.26 -4.15 118.95 121.61 1ujo s ARG 31 Ca 0.72 1.21 0.00 0.00 2.03 0.00 0.00 55.73 59.69 1ujo s ARG 31 Cb -0.06 -1.86 0.00 0.00 -1.03 0.00 0.00 34.95 32.00 1ujo s ARG 31 CO 0.53 -1.87 0.00 0.41 -1.13 0.00 0.00 175.30 173.24 1ujo n GLY 32 N -0.95 -3.86 0.25 3.88 0.00 -1.26 -2.53 105.19 100.72 1ujo n GLY 32 Ca 0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 1ujo n GLY 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ujo h ARG 33 N -0.37 -0.03 -0.97 1.61 2.43 -1.88 0.10 114.38 115.28 1ujo h ARG 33 Ca -0.07 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.29 1ujo h ARG 33 Cb 1.12 0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 30.49 1ujo h ARG 33 CO 0.03 -0.02 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.13 1ujo h LEU 34 N -0.03 -0.99 -0.69 3.80 3.38 -1.93 0.87 115.31 119.73 1ujo h LEU 34 Ca 0.29 0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.61 1ujo h LEU 34 Cb 0.47 0.63 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1ujo h LEU 34 CO -0.64 -0.32 -0.41 0.61 0.09 0.00 0.00 178.44 177.78 1ujo n GLY 35 N -1.59 -2.29 0.36 0.83 0.00 0.35 -0.08 105.19 102.76 1ujo n GLY 35 Ca 0.14 0.91 -0.04 0.00 0.00 0.00 0.00 46.02 47.04 1ujo n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ujo n PHE 36 N -4.64 -0.12 -0.25 1.61 7.35 0.30 0.12 117.46 121.82 1ujo n PHE 36 Ca 0.01 1.11 0.04 0.00 -0.76 0.00 0.00 57.45 57.85 1ujo n PHE 36 Cb 0.18 -0.74 0.14 0.00 0.35 0.00 0.00 39.48 39.41 1ujo n PHE 36 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1ujo h GLN 37 N 0.00 0.08 -0.28 -4.13 -0.00 -0.51 0.25 115.11 110.53 1ujo h GLN 37 Ca 0.25 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.86 1ujo h GLN 37 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 1ujo h GLN 37 CO -0.87 0.05 0.05 0.28 0.00 0.00 0.00 178.83 178.34 1ujo h VAL 38 N 0.08 1.23 -1.04 2.39 2.07 0.13 -1.92 116.25 119.19 1ujo h VAL 38 Ca 0.39 -0.78 0.26 0.00 0.82 0.00 0.00 66.70 67.39 1ujo h VAL 38 Cb 0.67 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.54 1ujo h VAL 38 CO -0.66 0.25 0.66 -0.25 0.02 0.00 0.00 177.57 177.59 1ujo h TRP 39 N 0.28 0.71 -1.64 1.57 7.01 0.30 0.40 115.95 124.58 1ujo h TRP 39 Ca 0.08 0.02 -0.65 0.00 2.11 0.00 0.00 58.89 60.46 1ujo h TRP 39 Cb 0.33 -0.21 -0.36 0.00 -2.10 0.00 0.00 29.16 26.82 1ujo h TRP 39 CO 0.02 0.06 -0.06 1.28 -2.79 0.00 0.00 178.44 176.95 1ujo n LEU 40 N -4.67 5.80 -0.05 0.65 4.77 0.26 -4.63 117.00 119.12 1ujo n LEU 40 Ca 0.26 -5.04 -0.09 0.00 -0.03 0.00 0.00 56.01 51.10 1ujo n LEU 40 Cb 0.86 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1ujo n LEU 40 CO 0.24 2.04 -0.62 1.17 -1.33 0.00 0.00 177.39 178.89 1ujo n LYS 41 N -0.52 0.34 -0.35 3.23 4.81 0.14 -4.66 118.16 121.15 1ujo n LYS 41 Ca 0.45 0.14 -0.05 0.00 -0.87 0.00 0.00 58.31 57.98 1ujo n LYS 41 Cb 0.52 -1.09 -0.01 0.00 0.02 0.00 0.00 35.03 34.48 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1ujo h ASN 42 N -0.62 -1.59 0.00 3.14 4.21 -1.82 -3.45 115.58 115.45 1ujo h ASN 42 Ca -0.13 0.30 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1ujo h ASN 42 Cb 0.85 0.78 0.00 0.00 -1.12 0.00 0.00 38.32 38.82 1ujo h ASN 42 CO -0.08 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.39 1ujo n GLY 43 N -1.41 2.60 0.32 2.83 0.00 -1.26 -4.59 105.19 103.67 1ujo n GLY 43 Ca 0.07 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.31 1ujo n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ujo h VAL 44 N 0.00 0.15 0.66 1.61 2.07 -1.89 1.55 116.25 120.40 1ujo h VAL 44 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1ujo h VAL 44 Cb 0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1ujo h VAL 44 CO 0.00 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.54 1ujo h ILE 45 N -0.01 0.10 -0.43 4.57 2.04 -1.91 0.57 117.51 122.43 1ujo h ILE 45 Ca 0.39 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.33 1ujo h ILE 45 Cb 0.61 0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 1ujo h ILE 45 CO -0.86 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.07 1ujo h LEU 46 N -1.06 -0.52 -1.29 1.44 3.38 -1.17 0.33 115.31 116.42 1ujo h LEU 46 Ca -0.08 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1ujo h LEU 46 Cb 0.87 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1ujo h LEU 46 CO 0.06 -0.18 0.52 0.28 0.09 0.00 0.00 178.44 179.21 1ujo h SER 47 N -0.05 0.75 -0.55 -0.43 0.02 0.24 0.29 113.55 113.82 1ujo h SER 47 Ca 0.21 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1ujo h SER 47 Cb 0.37 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1ujo h SER 47 CO -0.47 0.47 0.12 0.11 -1.14 0.00 0.00 176.83 175.93 1ujo h LYS 48 N 0.85 0.93 0.00 3.45 1.57 0.38 -0.53 116.57 123.22 1ujo h LYS 48 Ca 0.35 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ujo h LYS 48 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1ujo h LYS 48 CO -0.13 0.85 0.00 -0.11 -0.57 0.00 0.00 179.45 179.49 1ujo n LEU 49 N -4.25 0.00 -0.29 2.94 7.94 0.33 0.11 117.00 123.78 1ujo n LEU 49 Ca 0.04 0.81 0.07 0.00 -1.11 0.00 0.00 56.01 55.82 1ujo n LEU 49 Cb 0.25 -0.31 0.18 0.00 0.53 0.00 0.00 43.42 44.08 1ujo n LEU 49 CO 0.41 -0.31 0.79 1.62 -1.11 0.00 0.00 177.39 178.79 1ujo h VAL 50 N 0.00 0.21 0.05 1.96 3.04 -1.49 0.36 116.25 120.38 1ujo h VAL 50 Ca 0.00 -0.02 0.03 0.00 -1.01 0.00 0.00 66.70 65.70 1ujo h VAL 50 Cb 0.00 0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 29.38 1ujo h VAL 50 CO 0.00 0.01 -0.30 0.78 -1.01 0.00 0.00 177.57 177.05 1ujo h ASN 51 N 0.06 -0.87 -0.95 3.17 2.35 -0.93 -0.56 115.58 117.84 1ujo h ASN 51 Ca 0.46 0.11 0.28 0.00 -0.55 0.00 0.00 56.30 56.60 1ujo h ASN 51 Cb 0.84 0.34 -0.14 0.00 0.05 0.00 0.00 38.32 39.41 1ujo h ASN 51 CO -0.79 -0.37 0.43 0.77 -1.65 0.00 0.00 177.43 175.82 1ujo h SER 52 N -0.48 0.32 0.00 5.81 4.64 0.49 -2.95 113.55 121.39 1ujo h SER 52 Ca 0.05 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1ujo h SER 52 Cb 0.54 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ujo h SER 52 CO -0.22 -0.11 0.00 0.18 -0.87 0.00 0.00 176.83 175.81 1ujo n LEU 53 N -5.10 0.04 -3.40 5.97 4.77 -0.27 -4.79 117.00 114.22 1ujo n LEU 53 Ca 0.27 0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 56.16 1ujo n LEU 53 Cb 0.83 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.94 1ujo n LEU 53 CO 0.09 0.00 -0.73 -1.22 -1.33 0.00 0.00 177.39 174.20 1ujo n TYR 54 N -0.23 -3.05 -1.57 -1.77 4.01 -0.86 -4.89 117.16 108.80 1ujo n TYR 54 Ca 0.00 0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.66 1ujo n TYR 54 Cb 0.00 -1.30 0.06 0.00 -0.31 0.00 0.00 39.34 37.79 1ujo n TYR 54 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujo s PRO 55 N -1.11 2.71 0.34 -0.72 0.04 -1.26 -4.90 135.00 130.10 1ujo s PRO 55 Ca 0.42 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1ujo s PRO 55 Cb -0.31 -1.97 0.68 0.00 0.04 0.00 0.00 34.50 32.93 1ujo s PRO 55 CO 0.59 -1.23 1.93 1.05 0.04 0.00 0.00 177.00 179.38 1ujo h GLU 56 N -0.82 0.82 -1.53 4.56 4.11 -1.90 -0.92 114.58 118.90 1ujo h GLU 56 Ca -0.45 -0.05 -0.20 0.00 0.07 0.00 0.00 59.36 58.74 1ujo h GLU 56 Cb 1.23 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 1ujo h GLU 56 CO 0.57 0.54 0.26 0.41 0.07 0.00 0.00 179.01 180.86 1ujo n GLY 57 N -1.43 3.37 2.22 1.06 0.00 -1.26 -3.63 105.19 105.52 1ujo n GLY 57 Ca 0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1ujo n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujo n SER 58 N 0.57 -0.81 -4.62 1.61 7.64 -0.36 -5.12 113.62 112.53 1ujo n SER 58 Ca 0.19 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 58.10 1ujo n SER 58 Cb 0.62 0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 64.38 1ujo n SER 58 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ujo s LYS 59 N 0.05 3.83 -0.01 1.43 3.01 -1.19 -4.44 119.74 122.43 1ujo s LYS 59 Ca 0.04 1.20 -0.01 0.00 -1.01 0.00 0.00 55.97 56.19 1ujo s LYS 59 Cb 0.12 -3.92 -0.00 0.00 -1.01 0.00 0.00 37.83 33.02 1ujo s LYS 59 CO -0.03 -1.23 0.26 -1.00 0.51 0.00 0.00 175.35 173.86 1ujo h PRO 60 N 9.69 -0.03 -7.35 -1.68 0.13 -1.94 -3.46 132.00 127.35 1ujo h PRO 60 Ca -0.27 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.37 1ujo h PRO 60 Cb 1.10 0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.31 1ujo h PRO 60 CO 1.04 -0.02 0.35 0.08 -0.23 0.00 0.00 178.00 179.22 1ujo s VAL 61 N -1.61 3.75 -0.33 1.56 1.01 -1.26 -5.06 120.40 118.46 1ujo s VAL 61 Ca -0.00 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1ujo s VAL 61 Cb 0.00 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.94 1ujo s VAL 61 CO 0.01 -0.67 0.07 -0.54 0.00 0.00 0.00 175.10 173.98 1ujo s LYS 62 N -5.22 1.16 -0.36 2.72 1.02 -1.26 -4.97 119.74 112.83 1ujo s LYS 62 Ca 0.56 -1.55 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 1ujo s LYS 62 Cb -0.11 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1ujo s LYS 62 CO 0.50 -0.96 0.32 0.54 -0.92 0.00 0.00 175.35 174.82 1ujo s VAL 63 N 1.18 5.22 0.80 3.17 0.11 -1.26 -5.07 120.40 124.54 1ujo s VAL 63 Ca 0.11 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 1ujo s VAL 63 Cb -0.18 -3.81 0.07 0.00 -1.53 0.00 0.00 36.38 30.92 1ujo s VAL 63 CO -0.15 -0.11 1.10 -2.16 -3.33 0.00 0.00 175.10 170.44 1ujo s PRO 64 N 1.88 2.10 0.10 1.54 0.04 -1.26 -4.98 135.00 134.42 1ujo s PRO 64 Ca 0.09 0.64 -0.32 0.00 0.04 0.00 0.00 61.00 61.45 1ujo s PRO 64 Cb -0.17 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1ujo s PRO 64 CO 0.11 -1.61 1.59 0.93 0.04 0.00 0.00 177.00 178.07 1ujo h GLU 65 N -1.08 -0.74 -6.66 4.56 5.08 -2.04 -3.41 114.58 110.29 1ujo h GLU 65 Ca -0.47 0.05 -0.50 0.00 -1.00 0.00 0.00 59.36 57.44 1ujo h GLU 65 Cb 1.27 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1ujo h GLU 65 CO 0.59 -0.49 0.14 -0.80 -1.00 0.00 0.00 179.01 177.45 1ujo s ASN 66 N -4.58 7.03 0.44 1.42 0.01 -1.26 -5.05 114.94 112.95 1ujo s ASN 66 Ca -0.17 1.45 -0.22 0.00 -0.71 0.00 0.00 52.86 53.21 1ujo s ASN 66 Cb 0.06 -2.43 -0.09 0.00 0.41 0.00 0.00 41.25 39.20 1ujo s ASN 66 CO 0.63 -0.04 1.05 -2.16 -1.51 0.00 0.00 177.10 175.06 1ujo s PRO 67 N -2.22 4.00 0.26 -0.60 0.04 -1.26 -5.01 135.00 130.20 1ujo s PRO 67 Ca 0.47 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1ujo s PRO 67 Cb -0.15 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1ujo s PRO 67 CO 0.20 -0.27 1.09 -1.25 0.04 0.00 0.00 177.00 176.80 1ujo s PRO 68 N -2.82 4.65 -0.26 0.56 0.04 -1.26 -4.97 135.00 130.93 1ujo s PRO 68 Ca 0.62 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 1ujo s PRO 68 Cb -0.20 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 31.01 1ujo s PRO 68 CO 0.24 0.21 -0.30 0.45 0.04 0.00 0.00 177.00 177.64 1ujo n SER 69 N 1.46 1.95 -4.60 6.66 2.88 -1.26 -4.72 113.62 115.99 1ujo n SER 69 Ca -0.00 0.35 -0.49 0.00 -1.33 0.00 0.00 58.87 57.39 1ujo n SER 69 Cb 0.45 -0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 63.04 1ujo n SER 69 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ujo n MET 70 N -4.29 1.32 0.21 -1.46 2.81 -1.26 -4.78 117.12 109.67 1ujo n MET 70 Ca -0.48 0.47 -0.15 0.00 -1.81 0.00 0.00 57.70 55.73 1ujo n MET 70 Cb 0.83 -2.06 -0.08 0.00 -0.71 0.00 0.00 33.22 31.20 1ujo n MET 70 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ujo h VAL 71 N 3.00 0.00 -0.96 2.03 2.07 -1.99 -0.16 116.25 120.24 1ujo h VAL 71 Ca -0.45 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.22 1ujo h VAL 71 Cb 1.33 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.94 1ujo h VAL 71 CO 0.75 0.00 -0.38 0.49 0.02 0.00 0.00 177.57 178.45 1ujo n PHE 72 N -5.02 0.01 0.15 1.57 3.72 -1.26 -0.14 117.46 116.50 1ujo n PHE 72 Ca -0.09 1.18 -0.09 0.00 -0.05 0.00 0.00 57.45 58.39 1ujo n PHE 72 Cb 0.38 -0.85 -0.05 0.00 -0.94 0.00 0.00 39.48 38.02 1ujo n PHE 72 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ujo h LYS 73 N 0.00 -0.50 -0.82 -1.08 1.57 -1.83 -1.08 116.57 112.84 1ujo h LYS 73 Ca 0.33 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.21 1ujo h LYS 73 Cb 0.56 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.89 1ujo h LYS 73 CO -0.95 -0.33 -0.48 1.04 -0.57 0.00 0.00 179.45 178.16 1ujo n GLN 74 N -3.90 -0.36 -0.30 3.15 6.02 -0.11 0.68 117.38 122.56 1ujo n GLN 74 Ca -0.06 1.41 0.13 0.00 -0.01 0.00 0.00 57.00 58.46 1ujo n GLN 74 Cb 0.23 -2.07 0.28 0.00 1.02 0.00 0.00 30.24 29.70 1ujo n GLN 74 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1ujo h MET 75 N 0.00 0.14 0.04 -1.09 2.86 -0.39 0.16 114.93 116.66 1ujo h MET 75 Ca 0.13 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ujo h MET 75 Cb 0.34 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1ujo h MET 75 CO -0.77 0.10 -0.02 0.93 1.06 0.00 0.00 176.91 178.21 1ujo h GLU 76 N 0.15 -0.06 -0.95 1.72 5.08 0.16 -2.14 114.58 118.54 1ujo h GLU 76 Ca 0.55 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 59.20 1ujo h GLU 76 Cb 1.11 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.19 1ujo h GLU 76 CO -0.71 0.16 0.11 0.94 -1.00 0.00 0.00 179.01 178.51 1ujo n GLN 77 N -5.02 -0.07 0.16 2.33 -0.06 0.12 0.20 117.38 115.04 1ujo n GLN 77 Ca -0.08 1.40 -0.12 0.00 -2.00 0.00 0.00 57.00 56.20 1ujo n GLN 77 Cb 0.14 -2.27 -0.07 0.00 -4.06 0.00 0.00 30.24 23.98 1ujo n GLN 77 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1ujo h VAL 78 N 0.00 0.52 -0.96 1.69 2.07 -1.24 -3.08 116.25 115.25 1ujo h VAL 78 Ca 0.62 -0.70 0.28 0.00 0.82 0.00 0.00 66.70 67.72 1ujo h VAL 78 Cb 1.36 0.80 -0.17 0.00 -1.52 0.00 0.00 31.29 31.76 1ujo h VAL 78 CO -0.86 0.11 0.14 0.00 0.02 0.00 0.00 177.57 176.98 1ujo h ALA 79 N -0.53 1.33 -0.64 1.67 0.00 0.43 1.47 119.26 122.99 1ujo h ALA 79 Ca -0.05 0.30 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1ujo h ALA 79 Cb 0.53 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1ujo h ALA 79 CO 0.08 -0.60 0.23 1.96 0.00 0.00 0.00 179.25 180.92 1ujo h GLN 80 N 0.05 0.40 -0.13 0.00 4.20 -0.30 -0.41 115.11 118.91 1ujo h GLN 80 Ca 0.62 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 59.23 1ujo h GLN 80 Cb 1.34 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ujo h GLN 80 CO -0.84 0.26 -0.22 0.35 -0.67 0.00 0.00 178.83 177.71 1ujo h PHE 81 N 0.41 0.47 -0.27 2.96 3.57 0.19 -1.96 116.94 122.32 1ujo h PHE 81 Ca 0.33 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1ujo h PHE 81 Cb 0.43 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 1ujo h PHE 81 CO -0.17 0.84 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.16 1ujo h LEU 82 N -0.03 -1.68 -1.00 0.59 3.38 0.37 1.58 115.31 118.52 1ujo h LEU 82 Ca 0.01 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1ujo h LEU 82 Cb 0.80 0.68 -0.07 0.00 0.09 0.00 0.00 40.66 42.17 1ujo h LEU 82 CO 0.05 -0.44 0.65 0.11 0.09 0.00 0.00 178.44 178.90 1ujo h LYS 83 N -0.47 1.16 -0.66 1.13 1.57 -1.16 0.69 116.57 118.83 1ujo h LYS 83 Ca 0.07 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ujo h LYS 83 Cb 0.63 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1ujo h LYS 83 CO -0.51 0.77 0.32 0.00 -0.57 0.00 0.00 179.45 179.46 1ujo h ALA 84 N 1.44 1.33 -0.02 3.86 0.00 0.15 -1.60 119.26 124.42 1ujo h ALA 84 Ca 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ujo h ALA 84 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ujo h ALA 84 CO -0.16 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1ujo h ALA 85 N 1.43 0.03 -0.71 0.00 0.00 0.43 -2.51 119.26 117.93 1ujo h ALA 85 Ca 0.23 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1ujo h ALA 85 Cb 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1ujo h ALA 85 CO -0.03 -0.32 0.23 1.49 0.00 0.00 0.00 179.25 180.62 1ujo h GLU 86 N -0.23 0.35 -0.58 0.00 4.81 -0.59 0.97 114.58 119.31 1ujo h GLU 86 Ca 0.01 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1ujo h GLU 86 Cb 0.29 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1ujo h GLU 86 CO 0.00 0.23 0.27 0.22 -0.73 0.00 0.00 179.01 179.00 1ujo h ASP 87 N 0.36 0.36 -1.72 1.04 3.58 -1.14 0.05 116.42 118.94 1ujo h ASP 87 Ca 0.39 0.05 0.50 0.00 0.42 0.00 0.00 57.03 58.38 1ujo h ASP 87 Cb 0.60 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.56 1ujo h ASP 87 CO -0.42 0.23 1.24 0.22 -2.88 0.00 0.00 179.24 177.63 1ujo h TYR 88 N 0.51 0.03 0.00 0.28 3.20 -0.35 -3.42 116.97 117.21 1ujo h TYR 88 Ca 0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1ujo h TYR 88 Cb 0.23 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1ujo h TYR 88 CO -0.12 -0.01 0.00 0.41 -1.64 0.00 0.00 178.16 176.80 1ujo n GLY 89 N -1.86 1.33 3.92 1.82 0.00 -0.06 -5.03 105.19 105.31 1ujo n GLY 89 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 1ujo n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ujo s VAL 90 N -1.92 5.02 0.64 1.61 1.01 -0.81 -5.03 120.40 120.93 1ujo s VAL 90 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1ujo s VAL 90 Cb 0.00 -3.80 0.15 0.00 0.00 0.00 0.00 36.38 32.73 1ujo s VAL 90 CO 0.00 -0.51 0.74 2.30 0.00 0.00 0.00 175.10 177.63 1ujo n ILE 91 N -1.49 0.00 0.61 2.22 -5.35 -1.26 -4.83 119.36 109.26 1ujo n ILE 91 Ca -0.02 -0.47 0.07 0.00 -0.27 0.00 0.00 62.75 62.06 1ujo n ILE 91 Cb 0.55 -1.49 -0.02 0.00 -1.74 0.00 0.00 39.64 36.95 1ujo n ILE 91 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ujo n LYS 92 N -3.00 2.01 -0.04 6.28 4.01 -1.26 -4.19 118.16 121.97 1ujo n LYS 92 Ca 0.10 -0.58 0.12 0.00 -0.51 0.00 0.00 58.31 57.44 1ujo n LYS 92 Cb 0.35 -1.18 0.14 0.00 -0.51 0.00 0.00 35.03 33.82 1ujo n LYS 92 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1ujo n THR 93 N -0.41 0.12 -0.01 -0.18 -2.24 -1.26 -4.05 114.28 106.25 1ujo n THR 93 Ca 0.05 -0.55 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 1ujo n THR 93 Cb 0.27 1.35 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ujo n ASP 94 N 1.35 2.31 -4.77 3.42 9.92 -1.26 -5.00 116.55 122.52 1ujo n ASP 94 Ca 0.15 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.02 1ujo n ASP 94 Cb 0.59 1.43 -0.00 0.00 -0.64 0.00 0.00 41.12 42.50 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1ujo s MET 95 N -2.74 3.92 0.47 -1.24 -1.94 -1.26 -2.51 119.30 114.00 1ujo s MET 95 Ca -0.04 2.19 0.05 0.00 -1.71 0.00 0.00 55.69 56.17 1ujo s MET 95 Cb 0.07 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 1ujo s MET 95 CO 0.48 -0.55 0.14 -0.59 -0.01 0.00 0.00 175.02 174.49 1ujo s PHE 96 N -1.26 2.15 0.03 -0.03 -0.71 -1.26 -4.98 117.98 111.92 1ujo s PHE 96 Ca 0.58 -0.78 -0.13 0.00 -1.04 0.00 0.00 56.93 55.56 1ujo s PHE 96 Cb -0.39 -1.80 -0.06 0.00 -1.21 0.00 0.00 43.02 39.56 1ujo s PHE 96 CO 0.50 0.11 0.41 -0.65 -1.34 0.00 0.00 175.22 174.25 1ujo s GLN 97 N -3.94 3.87 0.42 1.99 -0.21 -1.26 -4.96 119.66 115.57 1ujo s GLN 97 Ca 0.27 0.34 0.23 0.00 0.02 0.00 0.00 55.36 56.21 1ujo s GLN 97 Cb 0.03 -3.14 1.22 0.00 1.00 0.00 0.00 33.01 32.12 1ujo s GLN 97 CO 0.15 0.64 1.74 1.15 -2.12 0.00 0.00 175.29 176.85 1ujo h THR 98 N 3.40 0.42 -0.18 -0.19 2.02 -2.00 0.56 112.91 116.94 1ujo h THR 98 Ca -0.51 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 1ujo h THR 98 Cb 1.21 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1ujo h THR 98 CO 0.63 0.05 -0.14 -0.37 0.37 0.00 0.00 175.52 176.07 1ujo h VAL 99 N 0.29 1.32 -1.18 3.16 -1.51 -1.95 1.13 116.25 117.52 1ujo h VAL 99 Ca 0.64 -1.25 0.34 0.00 -1.23 0.00 0.00 66.70 65.20 1ujo h VAL 99 Cb 1.81 1.75 -0.05 0.00 -2.13 0.00 0.00 31.29 32.67 1ujo h VAL 99 CO -0.30 0.38 1.04 0.44 -1.23 0.00 0.00 177.57 177.90 1ujo h ASP 100 N 0.09 0.00 0.00 4.19 3.32 -0.17 1.07 116.42 124.92 1ujo h ASP 100 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ujo h ASP 100 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1ujo h ASP 100 CO 0.04 0.00 -0.63 -0.11 -1.72 0.00 0.00 179.24 176.81 1ujo n LEU 101 N -3.71 1.44 -0.17 1.55 7.94 -1.01 -1.48 117.00 121.57 1ujo n LEU 101 Ca 0.26 0.24 -0.05 0.00 -1.11 0.00 0.00 56.01 55.34 1ujo n LEU 101 Cb 1.41 -0.60 0.01 0.00 0.53 0.00 0.00 43.42 44.77 1ujo n LEU 101 CO 0.33 -0.40 0.66 0.22 -1.11 0.00 0.00 177.39 177.08 1ujo h TYR 102 N -0.63 -0.79 -0.58 1.96 3.20 0.18 0.24 116.97 120.55 1ujo h TYR 102 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1ujo h TYR 102 Cb 0.63 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1ujo h TYR 102 CO -0.27 -0.36 0.00 0.39 -1.64 0.00 0.00 178.16 176.28 1ujo n GLU 103 N -5.43 4.44 -4.11 1.82 -0.58 0.36 -4.92 120.64 112.22 1ujo n GLU 103 Ca 0.04 -2.97 -0.34 0.00 -0.42 0.00 0.00 57.16 53.46 1ujo n GLU 103 Cb 0.34 -2.13 -0.07 0.00 -0.57 0.00 0.00 31.44 29.00 1ujo n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ujo n GLY 104 N 0.77 -0.28 0.16 0.62 0.00 0.86 -4.75 105.19 102.58 1ujo n GLY 104 Ca 0.26 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 1ujo n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo h LYS 105 N -0.93 0.11 -1.55 1.61 1.57 -1.12 -3.40 116.57 112.86 1ujo h LYS 105 Ca -0.53 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 57.94 1ujo h LYS 105 Cb 1.20 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 33.26 1ujo h LYS 105 CO 0.73 0.66 -0.58 -0.51 -0.57 0.00 0.00 179.45 179.17 1ujo s ASP 106 N -6.88 0.01 0.01 0.86 1.01 -0.55 -4.92 116.67 106.21 1ujo s ASP 106 Ca -0.03 -1.20 -0.21 0.00 0.71 0.00 0.00 52.55 51.82 1ujo s ASP 106 Cb 0.13 1.16 -0.20 0.00 1.01 0.00 0.00 42.92 45.02 1ujo s ASP 106 CO 0.77 -0.23 1.16 -0.03 0.21 0.00 0.00 175.17 177.06 1ujo h MET 107 N 7.08 0.36 -1.06 8.23 1.85 -1.77 -2.95 114.93 126.67 1ujo h MET 107 Ca 0.05 -0.32 0.29 0.00 -0.61 0.00 0.00 59.70 59.11 1ujo h MET 107 Cb 1.11 0.07 -0.11 0.00 0.43 0.00 0.00 31.60 33.10 1ujo h MET 107 CO 0.16 0.97 0.66 0.00 -0.40 0.00 0.00 176.91 178.30 1ujo h ALA 108 N 0.40 2.14 0.18 0.39 0.00 -1.95 0.23 119.26 120.65 1ujo h ALA 108 Ca -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ujo h ALA 108 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ujo h ALA 108 CO 0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 179.25 178.62 1ujo h ALA 109 N 1.68 -0.24 -1.21 0.00 0.00 -1.93 -2.72 119.26 114.83 1ujo h ALA 109 Ca 0.65 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.82 1ujo h ALA 109 Cb 1.59 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.32 1ujo h ALA 109 CO -0.40 -0.44 0.74 0.28 0.00 0.00 0.00 179.25 179.43 1ujo n VAL 110 N -5.03 -0.31 0.03 0.00 0.31 0.75 0.16 118.33 114.25 1ujo n VAL 110 Ca -0.09 1.84 -0.13 0.00 -0.01 0.00 0.00 64.34 65.96 1ujo n VAL 110 Cb 0.24 -3.01 -0.09 0.00 -0.91 0.00 0.00 33.84 30.07 1ujo n VAL 110 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ujo h GLN 111 N 0.00 -0.11 -1.42 5.55 4.20 -1.18 -2.92 115.11 119.23 1ujo h GLN 111 Ca 0.85 0.01 0.47 0.00 0.06 0.00 0.00 58.65 60.03 1ujo h GLN 111 Cb 2.56 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 30.25 1ujo h GLN 111 CO -0.56 0.33 0.95 -2.13 -0.67 0.00 0.00 178.83 176.74 1ujo n ARG 112 N -4.92 -0.02 0.04 1.46 0.63 0.42 0.72 116.66 114.98 1ujo n ARG 112 Ca -0.09 1.11 -0.08 0.00 -0.92 0.00 0.00 57.85 57.88 1ujo n ARG 112 Cb 0.25 -2.29 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 1ujo n ARG 112 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1ujo h THR 113 N 0.00 0.53 -0.35 5.15 2.02 -1.17 -3.20 112.91 115.89 1ujo h THR 113 Ca 0.83 -1.11 0.07 0.00 0.77 0.00 0.00 66.41 66.97 1ujo h THR 113 Cb 2.86 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 70.13 1ujo h THR 113 CO -0.32 0.15 -0.13 -0.07 0.37 0.00 0.00 175.52 175.53 1ujo h LEU 114 N -0.98 -0.44 -0.99 2.58 3.38 0.48 0.71 115.31 120.04 1ujo h LEU 114 Ca -0.02 0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.40 1ujo h LEU 114 Cb 0.41 0.26 -0.16 0.00 0.09 0.00 0.00 40.66 41.27 1ujo h LEU 114 CO 0.04 -0.16 0.50 0.24 0.09 0.00 0.00 178.44 179.15 1ujo h MET 115 N -0.06 0.21 0.05 1.13 2.86 0.01 0.62 114.93 119.75 1ujo h MET 115 Ca 0.17 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1ujo h MET 115 Cb 0.32 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ujo h MET 115 CO -0.39 0.14 -0.02 0.00 1.06 0.00 0.00 176.91 177.69 1ujo h ALA 116 N 1.89 -0.06 -0.80 6.32 0.00 -0.95 -2.38 119.26 123.28 1ujo h ALA 116 Ca 0.74 -0.32 0.19 0.00 0.00 0.00 0.00 54.91 55.52 1ujo h ALA 116 Cb 1.75 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.44 1ujo h ALA 116 CO -0.67 -0.17 0.19 1.25 0.00 0.00 0.00 179.25 179.85 1ujo h LEU 117 N -0.79 -0.01 0.44 0.00 5.85 0.14 0.34 115.31 121.28 1ujo h LEU 117 Ca -0.01 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ujo h LEU 117 Cb 0.65 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1ujo h LEU 117 CO 0.01 -0.09 -0.21 1.23 -0.34 0.00 0.00 178.44 179.04 1ujo h GLY 118 N 0.24 -0.62 -0.59 3.75 0.00 0.04 -0.81 103.07 105.09 1ujo h GLY 118 Ca 0.47 0.23 0.18 0.00 0.00 0.00 0.00 47.33 48.20 1ujo h GLY 118 CO -0.58 -0.22 -0.12 0.23 0.00 0.00 0.00 176.54 175.85 1ujo h SER 119 N -0.62 -0.61 -0.42 0.19 0.87 -0.85 0.97 113.55 113.08 1ujo h SER 119 Ca -0.06 0.23 0.07 0.00 -1.23 0.00 0.00 61.79 60.81 1ujo h SER 119 Cb 0.45 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 62.80 1ujo h SER 119 CO 0.10 -0.25 0.03 -0.07 -0.53 0.00 0.00 176.83 176.11 1ujo h LEU 120 N 0.03 -0.10 -1.62 2.23 3.38 -0.27 1.40 115.31 120.36 1ujo h LEU 120 Ca 0.42 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1ujo h LEU 120 Cb 0.70 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ujo h LEU 120 CO -0.80 -0.02 -0.09 0.00 0.09 0.00 0.00 178.44 177.62 1ujo h ALA 121 N 1.35 1.07 0.06 1.53 0.00 0.17 -2.54 119.26 120.89 1ujo h ALA 121 Ca 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ujo h ALA 121 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ujo h ALA 121 CO -0.32 0.11 -0.03 0.28 0.00 0.00 0.00 179.25 179.30 1ujo h VAL 122 N 0.00 0.31 -1.21 0.00 2.07 0.53 -3.27 116.25 114.67 1ujo h VAL 122 Ca -0.00 -1.16 0.35 0.00 0.82 0.00 0.00 66.70 66.71 1ujo h VAL 122 Cb 0.49 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1ujo h VAL 122 CO 0.01 0.10 0.83 0.74 0.02 0.00 0.00 177.57 179.27 1ujo h THR 123 N -1.01 0.37 -0.11 2.57 2.02 0.17 0.47 112.91 117.40 1ujo h THR 123 Ca -0.01 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1ujo h THR 123 Cb 0.23 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1ujo h THR 123 CO 0.01 0.03 -0.05 0.11 0.37 0.00 0.00 175.52 175.99 1ujo h LYS 124 N 0.16 -0.04 -4.61 6.66 1.57 -1.52 -3.48 116.57 115.30 1ujo h LYS 124 Ca 0.65 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.44 1ujo h LYS 124 Cb 2.15 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 34.37 1ujo h LYS 124 CO -0.19 -0.02 -1.28 -1.71 -0.57 0.00 0.00 179.45 175.68 1ujo n ASN 125 N -5.18 -1.96 -3.32 0.86 2.85 0.17 -4.53 115.26 104.15 1ujo n ASN 125 Ca -0.04 1.23 -0.16 0.00 -0.11 0.00 0.00 54.58 55.49 1ujo n ASN 125 Cb 0.11 -4.62 0.08 0.00 1.24 0.00 0.00 39.78 36.59 1ujo n ASN 125 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ujo n ASP 126 N 1.47 -3.04 -0.01 1.20 9.92 -1.26 -4.93 116.55 119.91 1ujo n ASP 126 Ca -0.30 -0.62 -0.01 0.00 -0.53 0.00 0.00 54.79 53.33 1ujo n ASP 126 Cb 0.46 -5.02 -0.01 0.00 -0.64 0.00 0.00 41.12 35.92 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ujo n GLY 127 N -1.15 -0.05 0.69 0.44 0.00 -1.26 -5.00 105.19 98.86 1ujo n GLY 127 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ujo n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ujo n ASN 128 N -2.35 0.00 -3.50 1.61 0.23 -1.26 -5.05 115.26 104.93 1ujo n ASN 128 Ca -0.04 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.70 1ujo n ASN 128 Cb 0.55 0.17 0.02 0.00 -2.08 0.00 0.00 39.78 38.44 1ujo n ASN 128 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ujo n TYR 129 N -1.78 -3.62 -0.00 -2.53 4.19 -1.26 -4.91 117.16 107.25 1ujo n TYR 129 Ca 0.00 0.15 -0.00 0.00 3.31 0.00 0.00 57.90 61.36 1ujo n TYR 129 Cb 0.00 -1.32 -0.00 0.00 0.49 0.00 0.00 39.34 38.51 1ujo n TYR 129 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1ujo n ARG 130 N 1.77 0.00 0.00 2.98 5.12 -1.26 -4.90 116.66 120.37 1ujo n ARG 130 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1ujo n ARG 130 Cb 0.45 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 1ujo n ARG 130 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujo n GLY 131 N 3.11 -0.57 3.82 -0.13 0.00 -1.26 -5.01 105.19 105.15 1ujo n GLY 131 Ca -0.00 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1ujo n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujo s ASP 132 N -1.36 6.64 0.16 1.61 1.11 -1.26 -4.99 116.67 118.58 1ujo s ASP 132 Ca 0.00 0.76 -0.01 0.00 0.18 0.00 0.00 52.55 53.49 1ujo s ASP 132 Cb 0.00 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.79 1ujo s ASP 132 CO 0.00 0.29 1.38 1.55 1.18 0.00 0.00 175.17 179.57 1ujo h PRO 133 N 5.21 0.33 -0.24 8.23 0.13 -1.94 -3.02 132.00 140.71 1ujo h PRO 133 Ca -0.50 -0.32 0.07 0.00 -0.87 0.00 0.00 66.00 64.38 1ujo h PRO 133 Cb 1.21 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ujo h PRO 133 CO 0.64 1.00 0.49 -2.95 -0.23 0.00 0.00 178.00 176.95 1ujo h ASN 134 N 0.20 0.00 -0.94 1.44 7.08 -1.97 0.54 115.58 121.93 1ujo h ASN 134 Ca -0.05 0.00 0.20 0.00 -3.08 0.00 0.00 56.30 53.37 1ujo h ASN 134 Cb 1.44 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 37.60 1ujo h ASN 134 CO 0.14 0.00 0.61 -0.50 -2.08 0.00 0.00 177.43 175.60 1ujo h TRP 135 N 0.00 0.70 -2.29 4.14 6.55 -1.95 -3.20 115.95 119.90 1ujo h TRP 135 Ca 0.11 0.02 -0.58 0.00 0.95 0.00 0.00 58.89 59.40 1ujo h TRP 135 Cb 1.10 -0.21 -0.38 0.00 -0.86 0.00 0.00 29.16 28.81 1ujo h TRP 135 CO 0.00 0.17 -0.98 1.19 -1.05 0.00 0.00 178.44 177.77 1ujo n PHE 136 N -4.58 -0.95 -0.01 0.49 3.01 0.19 -4.96 117.46 110.64 1ujo n PHE 136 Ca 0.21 -3.29 -0.17 0.00 1.01 0.00 0.00 57.45 55.22 1ujo n PHE 136 Cb 0.67 0.23 -0.13 0.00 -0.01 0.00 0.00 39.48 40.24 1ujo n PHE 136 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 1ujo h MET 137 N 5.45 0.18 -6.19 -1.08 2.86 -1.59 -3.36 114.93 111.20 1ujo h MET 137 Ca 0.24 -0.26 -0.48 0.00 -2.06 0.00 0.00 59.70 57.15 1ujo h MET 137 Cb 0.91 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1ujo h MET 137 CO 0.37 1.06 -0.47 0.21 1.06 0.00 0.00 176.91 179.14 1ujo s LYS 138 N -2.67 3.23 0.07 1.72 2.20 -1.26 -4.93 119.74 118.10 1ujo s LYS 138 Ca -0.16 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.56 1ujo s LYS 138 Cb -0.00 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.56 1ujo s LYS 138 CO 0.76 0.41 -0.02 -1.13 -0.36 0.00 0.00 175.35 175.02 1ujo n SER 139 N -1.32 0.94 0.00 1.43 3.41 -1.26 -4.80 113.62 112.02 1ujo n SER 139 Ca -0.08 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1ujo n SER 139 Cb 0.57 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1ujo n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujo n GLY 140 N 3.37 3.70 3.67 5.00 0.00 -1.26 -4.92 105.19 114.75 1ujo n GLY 140 Ca -0.01 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1ujo n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujo s PRO 141 N 1.92 4.29 -0.34 1.61 0.04 -1.26 -5.00 135.00 136.26 1ujo s PRO 141 Ca 0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1ujo s PRO 141 Cb 0.00 -3.66 0.05 0.00 0.04 0.00 0.00 34.50 30.93 1ujo s PRO 141 CO 0.00 -0.58 0.10 0.45 0.04 0.00 0.00 177.00 177.01 1ujo s SER 142 N 1.75 5.23 0.60 6.66 0.15 -1.26 -4.99 113.70 121.85 1ujo s SER 142 Ca 0.56 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1ujo s SER 142 Cb -0.24 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1ujo s SER 142 CO 0.19 -0.35 0.00 -0.24 1.20 0.00 0.00 173.24 174.04 1ujo n SER 143 N 4.75 -8.65 0.00 5.45 2.88 -1.26 -5.26 113.62 111.52 1ujo n SER 143 Ca -0.11 1.92 0.00 0.00 -1.33 0.00 0.00 58.87 59.35 1ujo n SER 143 Cb 0.44 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.69 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42