#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 -1.00 -3.86 1.61 7.64 -1.26 -4.98 113.62 111.77 1ujo n SER 2 Ca 0.00 0.53 -0.36 0.00 1.01 0.00 0.00 58.87 60.06 1ujo n SER 2 Cb 0.00 1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 64.27 1ujo n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujo n SER 3 N -3.38 4.89 -0.44 6.43 2.88 -1.26 -4.86 113.62 117.89 1ujo n SER 3 Ca 0.00 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 1ujo n SER 3 Cb 0.00 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1ujo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 4 N 1.50 5.44 2.52 0.46 0.00 -1.26 -5.12 105.19 108.73 1ujo n GLY 4 Ca 0.26 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1ujo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujo s SER 5 N 0.35 3.29 -0.15 1.61 0.15 -1.26 -3.29 113.70 114.39 1ujo s SER 5 Ca 0.00 -1.84 -0.12 0.00 0.70 0.00 0.00 55.95 54.69 1ujo s SER 5 Cb 0.00 -0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 63.79 1ujo s SER 5 CO 0.00 -0.36 -0.07 -1.28 1.20 0.00 0.00 173.24 172.73 1ujo h SER 6 N 7.59 0.00 0.00 5.45 0.87 -1.90 -3.45 113.55 122.11 1ujo h SER 6 Ca -0.05 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1ujo h SER 6 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1ujo h SER 6 CO 0.36 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 178.18 1ujo n GLY 7 N 1.58 1.84 1.58 5.77 0.00 -1.22 -4.91 105.19 109.83 1ujo n GLY 7 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -4.29 -0.04 1.61 1.02 -1.26 -4.12 120.64 113.57 1ujo n GLU 8 Ca 0.00 3.28 -0.13 0.00 -0.02 0.00 0.00 57.16 60.29 1ujo n GLU 8 Cb 0.00 -3.95 -0.08 0.00 -0.02 0.00 0.00 31.44 27.39 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 0.68 0.21 -0.78 3.49 3.07 -1.99 -2.22 114.58 117.04 1ujo h GLU 9 Ca 0.00 -0.09 0.14 0.00 -0.50 0.00 0.00 59.36 58.91 1ujo h GLU 9 Cb 0.63 -0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.39 1ujo h GLU 9 CO 0.00 0.57 -0.30 1.25 -1.40 0.00 0.00 179.01 179.12 1ujo h LEU 10 N -0.15 -1.09 -0.06 1.33 6.46 -2.00 0.26 115.31 120.04 1ujo h LEU 10 Ca 0.02 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1ujo h LEU 10 Cb 0.50 0.60 -0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1ujo h LEU 10 CO 0.01 -0.29 0.04 -0.08 -0.62 0.00 0.00 178.44 177.50 1ujo h GLU 11 N -0.06 0.08 -0.21 1.25 4.81 -1.70 -0.37 114.58 118.38 1ujo h GLU 11 Ca 0.32 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1ujo h GLU 11 Cb 0.58 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1ujo h GLU 11 CO -0.82 0.08 -0.16 0.93 -0.73 0.00 0.00 179.01 178.31 1ujo h GLU 12 N 0.06 -0.04 -0.56 1.92 4.39 0.10 1.17 114.58 121.63 1ujo h GLU 12 Ca 0.02 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1ujo h GLU 12 Cb 0.02 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1ujo h GLU 12 CO -0.00 -0.03 0.22 0.07 -1.16 0.00 0.00 179.01 178.11 1ujo h ARG 13 N -0.04 0.40 0.09 2.33 0.11 -1.19 1.47 114.38 117.55 1ujo h ARG 13 Ca 0.03 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.10 1ujo h ARG 13 Cb 0.13 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.08 1ujo h ARG 13 CO -0.22 0.26 -0.42 -0.07 0.10 0.00 0.00 179.97 179.62 1ujo h LEU 14 N 0.41 -1.28 0.68 0.08 4.07 0.80 0.80 115.31 120.88 1ujo h LEU 14 Ca 0.27 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.33 1ujo h LEU 14 Cb 0.29 0.47 0.01 0.00 1.08 0.00 0.00 40.66 42.51 1ujo h LEU 14 CO -0.26 -0.44 -0.33 0.58 -1.08 0.00 0.00 178.44 176.91 1ujo h VAL 15 N -0.60 0.00 -1.58 1.22 2.07 0.17 0.29 116.25 117.82 1ujo h VAL 15 Ca -0.00 -0.11 0.51 0.00 0.82 0.00 0.00 66.70 67.92 1ujo h VAL 15 Cb 0.60 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 1ujo h VAL 15 CO -0.23 0.00 1.07 -0.33 0.02 0.00 0.00 177.57 178.09 1ujo h GLU 16 N -1.02 0.00 0.13 1.57 5.08 0.21 1.47 114.58 122.02 1ujo h GLU 16 Ca -0.09 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ujo h GLU 16 Cb 0.70 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ujo h GLU 16 CO 0.15 0.00 -0.06 2.35 -1.00 0.00 0.00 179.01 180.45 1ujo h TRP 17 N 0.00 -0.16 -0.25 4.33 7.01 0.10 -2.95 115.95 124.04 1ujo h TRP 17 Ca 0.90 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.97 1ujo h TRP 17 Cb 3.16 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 30.26 1ujo h TRP 17 CO -0.00 -0.10 0.51 0.82 -2.79 0.00 0.00 178.44 176.88 1ujo h ILE 18 N -1.04 0.15 0.10 2.65 2.04 0.37 0.58 117.51 122.35 1ujo h ILE 18 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ujo h ILE 18 Cb 0.13 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1ujo h ILE 18 CO 0.03 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.71 1ujo h VAL 19 N 0.00 1.13 -0.37 1.67 2.07 0.17 0.11 116.25 121.03 1ujo h VAL 19 Ca 0.12 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.43 1ujo h VAL 19 Cb 1.14 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1ujo h VAL 19 CO -0.00 0.25 -0.35 -0.37 0.02 0.00 0.00 177.57 177.11 1ujo h VAL 20 N -0.64 1.28 0.06 2.57 -1.51 -0.20 1.57 116.25 119.38 1ujo h VAL 20 Ca -0.01 -1.52 -0.00 0.00 -1.23 0.00 0.00 66.70 63.93 1ujo h VAL 20 Cb 0.51 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1ujo h VAL 20 CO 0.02 0.51 -0.03 1.56 -1.23 0.00 0.00 177.57 178.40 1ujo h GLN 21 N 0.71 -0.08 -0.05 5.19 1.08 -0.09 -3.31 115.11 118.56 1ujo h GLN 21 Ca 0.07 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1ujo h GLN 21 Cb 0.92 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1ujo h GLN 21 CO 0.09 -0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.91 1ujo n GLY 23 N -0.30 -0.99 2.32 0.00 0.00 0.54 -4.74 105.19 102.02 1ujo n GLY 23 Ca -0.07 -2.25 -0.20 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.51 2.22 0.00 1.61 -0.04 -1.25 -3.42 135.00 133.60 1ujo n PRO 24 Ca 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1ujo n PRO 24 Cb 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.36 0.62 0.06 3.54 -0.08 -1.26 -4.75 116.55 118.03 1ujo n ASP 25 Ca 0.47 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.73 1ujo n ASP 25 Cb 0.40 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.10 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ujo h VAL 26 N 0.00 1.27 0.00 5.18 -1.51 -1.90 -3.48 116.25 115.80 1ujo h VAL 26 Ca 0.00 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1ujo h VAL 26 Cb 0.70 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1ujo h VAL 26 CO 0.00 0.39 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 1ujo n GLY 27 N -0.40 0.80 3.06 5.19 0.00 -1.26 -4.93 105.19 107.66 1ujo n GLY 27 Ca -0.01 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1ujo n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ujo s ARG 28 N 0.00 0.26 0.04 1.61 6.06 -1.26 -4.87 118.95 120.79 1ujo s ARG 28 Ca 0.00 0.11 -0.30 0.00 -2.50 0.00 0.00 55.73 53.04 1ujo s ARG 28 Cb 0.00 0.12 -0.05 0.00 0.06 0.00 0.00 34.95 35.08 1ujo s ARG 28 CO 0.00 -0.04 1.17 -1.25 -2.50 0.00 0.00 175.30 172.68 1ujo s PRO 29 N -0.20 4.44 0.98 5.12 0.04 -1.26 -4.99 135.00 139.12 1ujo s PRO 29 Ca -0.03 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1ujo s PRO 29 Cb -0.02 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1ujo s PRO 29 CO 0.01 -0.26 -0.04 -0.40 0.04 0.00 0.00 177.00 176.35 1ujo n ASP 30 N 4.08 -3.33 -4.49 6.66 5.75 -1.26 -4.80 116.55 119.15 1ujo n ASP 30 Ca 0.09 0.25 -0.29 0.00 -0.01 0.00 0.00 54.79 54.83 1ujo n ASP 30 Cb 0.47 -1.04 0.24 0.00 -1.03 0.00 0.00 41.12 39.77 1ujo n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ujo n ARG 31 N -0.34 -2.20 0.00 0.11 0.00 -1.26 -4.39 116.66 108.58 1ujo n ARG 31 Ca 0.03 -0.61 0.00 0.00 -0.00 0.00 0.00 57.85 57.28 1ujo n ARG 31 Cb 0.55 -2.17 0.00 0.00 -0.00 0.00 0.00 32.46 30.84 1ujo n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujo n GLY 32 N 0.97 1.02 1.42 2.89 0.00 -1.21 -4.56 105.19 105.72 1ujo n GLY 32 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1ujo n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujo n ARG 33 N 0.36 0.00 -0.15 1.61 1.74 -1.26 -3.45 116.66 115.51 1ujo n ARG 33 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1ujo n ARG 33 Cb 0.00 -0.13 -0.02 0.00 -1.02 0.00 0.00 32.46 31.28 1ujo n ARG 33 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ujo h LEU 34 N 0.00 -1.29 -0.48 0.55 3.38 -1.89 -1.90 115.31 113.68 1ujo h LEU 34 Ca 0.00 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1ujo h LEU 34 Cb 0.00 0.59 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1ujo h LEU 34 CO 0.00 -0.34 -0.28 0.61 0.09 0.00 0.00 178.44 178.52 1ujo n GLY 35 N -1.42 -2.49 0.36 0.83 0.00 -1.26 0.04 105.19 101.25 1ujo n GLY 35 Ca 0.01 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1ujo n GLY 35 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ujo h PHE 36 N 0.00 -0.86 -0.48 1.61 3.57 -1.56 0.41 116.94 119.63 1ujo h PHE 36 Ca 0.08 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1ujo h PHE 36 Cb 0.20 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 1ujo h PHE 36 CO -0.86 -0.40 -0.47 0.37 -2.23 0.00 0.00 178.31 174.72 1ujo h GLN 37 N -0.03 -0.23 -0.36 1.11 4.15 -0.11 0.69 115.11 120.33 1ujo h GLN 37 Ca 0.36 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.83 1ujo h GLN 37 Cb 0.61 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 1ujo h GLN 37 CO -0.92 -0.15 0.15 0.28 -1.93 0.00 0.00 178.83 176.25 1ujo h VAL 38 N -0.24 0.93 -1.03 2.39 2.07 -0.47 0.20 116.25 120.10 1ujo h VAL 38 Ca 0.08 -0.11 0.26 0.00 0.82 0.00 0.00 66.70 67.75 1ujo h VAL 38 Cb 0.45 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 1ujo h VAL 38 CO -0.57 0.06 0.65 -0.25 0.02 0.00 0.00 177.57 177.47 1ujo h TRP 39 N 0.31 0.77 -0.95 1.57 7.01 0.18 0.65 115.95 125.49 1ujo h TRP 39 Ca 0.16 0.03 -0.61 0.00 2.11 0.00 0.00 58.89 60.58 1ujo h TRP 39 Cb 0.11 -0.22 -0.38 0.00 -2.10 0.00 0.00 29.16 26.57 1ujo h TRP 39 CO -0.13 0.07 -0.17 1.28 -2.79 0.00 0.00 178.44 176.71 1ujo n LEU 40 N -4.69 5.95 -0.08 0.65 4.77 0.22 -4.61 117.00 119.21 1ujo n LEU 40 Ca 0.25 -4.64 -0.14 0.00 -0.03 0.00 0.00 56.01 51.46 1ujo n LEU 40 Cb 0.82 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1ujo n LEU 40 CO 0.23 1.89 -0.82 1.17 -1.33 0.00 0.00 177.39 178.53 1ujo n LYS 41 N -0.75 0.41 -0.34 3.23 4.81 0.23 -4.56 118.16 121.19 1ujo n LYS 41 Ca 0.50 0.17 0.13 0.00 -0.87 0.00 0.00 58.31 58.25 1ujo n LYS 41 Cb 0.81 -1.21 0.27 0.00 0.02 0.00 0.00 35.03 34.93 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 -0.74 -0.49 0.00 3.14 4.21 -1.81 -3.45 115.58 116.44 1ujo h ASN 42 Ca -0.24 0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1ujo h ASN 42 Cb 1.06 0.48 0.00 0.00 -1.12 0.00 0.00 38.32 38.75 1ujo h ASN 42 CO -0.14 -0.34 0.00 0.61 -1.29 0.00 0.00 177.43 176.27 1ujo n GLY 43 N -1.50 2.73 0.32 2.83 0.00 -1.26 -4.53 105.19 103.78 1ujo n GLY 43 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.29 -0.46 1.61 2.07 -1.86 0.66 116.25 118.56 1ujo h VAL 44 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1ujo h VAL 44 Cb 0.00 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 1ujo h VAL 44 CO 0.00 0.00 -0.16 0.40 0.02 0.00 0.00 177.57 177.83 1ujo h ILE 45 N -0.28 0.45 -0.20 4.57 2.04 -1.91 0.78 117.51 122.96 1ujo h ILE 45 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1ujo h ILE 45 Cb 0.52 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1ujo h ILE 45 CO -0.45 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 177.66 1ujo h LEU 46 N -0.06 -0.02 -1.27 1.44 3.38 -1.43 0.22 115.31 117.57 1ujo h LEU 46 Ca 0.22 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1ujo h LEU 46 Cb 0.40 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1ujo h LEU 46 CO -0.51 0.02 0.53 0.28 0.09 0.00 0.00 178.44 178.85 1ujo h SER 47 N 0.10 0.77 -0.19 -0.43 0.02 0.22 0.14 113.55 114.18 1ujo h SER 47 Ca 0.09 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1ujo h SER 47 Cb 0.10 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1ujo h SER 47 CO -0.14 0.50 -0.29 0.11 -1.14 0.00 0.00 176.83 175.87 1ujo h LYS 48 N 0.88 0.67 0.00 3.45 1.57 0.18 -1.87 116.57 121.44 1ujo h LYS 48 Ca 0.35 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ujo h LYS 48 Cb 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ujo h LYS 48 CO -0.12 0.88 0.00 -0.11 -0.57 0.00 0.00 179.45 179.53 1ujo n LEU 49 N -4.09 0.00 -0.31 2.94 7.94 0.65 -0.09 117.00 124.04 1ujo n LEU 49 Ca -0.01 0.79 0.15 0.00 -1.11 0.00 0.00 56.01 55.83 1ujo n LEU 49 Cb 0.46 -0.29 0.31 0.00 0.53 0.00 0.00 43.42 44.43 1ujo n LEU 49 CO 0.44 -0.29 0.91 1.62 -1.11 0.00 0.00 177.39 178.96 1ujo h VAL 50 N 0.00 0.20 0.11 1.96 3.04 -1.51 0.25 116.25 120.30 1ujo h VAL 50 Ca 0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 66.70 65.66 1ujo h VAL 50 Cb 0.00 0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 29.29 1ujo h VAL 50 CO 0.00 0.02 -0.52 0.78 -1.01 0.00 0.00 177.57 176.84 1ujo h ASN 51 N 0.13 -1.57 -0.95 3.17 2.35 -1.07 -1.28 115.58 116.36 1ujo h ASN 51 Ca 0.59 0.17 0.17 0.00 -0.55 0.00 0.00 56.30 56.68 1ujo h ASN 51 Cb 1.24 0.58 -0.17 0.00 0.05 0.00 0.00 38.32 40.02 1ujo h ASN 51 CO -0.74 -0.55 -0.30 -1.20 -1.65 0.00 0.00 177.43 172.99 1ujo n SER 52 N -5.48 -0.47 0.00 5.81 7.64 0.87 -1.97 113.62 120.02 1ujo n SER 52 Ca -0.08 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1ujo n SER 52 Cb 0.41 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1ujo n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ujo n LEU 53 N -5.49 0.00 -3.40 -3.43 4.77 -0.57 -4.72 117.00 104.17 1ujo n LEU 53 Ca 0.13 0.52 -0.31 0.00 -0.03 0.00 0.00 56.01 56.32 1ujo n LEU 53 Cb 0.43 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1ujo n LEU 53 CO -0.12 -0.02 -0.49 -1.22 -1.33 0.00 0.00 177.39 174.20 1ujo n TYR 54 N -0.72 -2.22 -0.92 -1.77 4.01 -0.71 -4.87 117.16 109.95 1ujo n TYR 54 Ca 0.00 0.38 -0.07 0.00 -0.16 0.00 0.00 57.90 58.06 1ujo n TYR 54 Cb 0.00 -1.36 0.05 0.00 -0.31 0.00 0.00 39.34 37.72 1ujo n TYR 54 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujo n PRO 55 N 1.18 -0.88 0.09 -0.72 -0.04 -1.26 -4.84 135.00 128.52 1ujo n PRO 55 Ca 0.07 -0.43 -0.13 0.00 -0.04 0.00 0.00 63.50 62.97 1ujo n PRO 55 Cb 0.37 -0.34 -0.09 0.00 -0.04 0.00 0.00 33.50 33.39 1ujo n PRO 55 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujo h GLU 56 N 0.00 0.24 -1.71 0.54 5.08 -1.94 -3.19 114.58 113.60 1ujo h GLU 56 Ca -0.10 -0.35 -0.26 0.00 -1.00 0.00 0.00 59.36 57.65 1ujo h GLU 56 Cb 0.28 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 1ujo h GLU 56 CO 0.06 1.12 0.28 0.41 -1.00 0.00 0.00 179.01 179.88 1ujo n GLY 57 N 1.28 3.70 1.38 -3.84 0.00 -1.26 -4.24 105.19 102.22 1ujo n GLY 57 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ujo n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujo n SER 58 N 0.78 0.00 -3.20 1.61 2.88 -1.23 -5.10 113.62 109.35 1ujo n SER 58 Ca 0.26 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.75 1ujo n SER 58 Cb 0.58 0.13 0.01 0.00 -0.75 0.00 0.00 64.21 64.17 1ujo n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujo n LYS 59 N -2.03 -0.65 0.04 -1.46 4.01 -1.21 -4.91 118.16 111.95 1ujo n LYS 59 Ca 0.00 0.96 -0.08 0.00 -0.51 0.00 0.00 58.31 58.68 1ujo n LYS 59 Cb 0.00 -1.37 -0.06 0.00 -0.51 0.00 0.00 35.03 33.09 1ujo n LYS 59 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1ujo h PRO 60 N 3.37 -0.20 -7.16 1.97 0.13 -1.94 -3.46 132.00 124.70 1ujo h PRO 60 Ca -0.07 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.60 1ujo h PRO 60 Cb 1.00 0.05 0.06 0.00 0.13 0.00 0.00 31.00 32.24 1ujo h PRO 60 CO 0.04 0.15 0.19 0.08 -0.23 0.00 0.00 178.00 178.23 1ujo s VAL 61 N -2.88 3.25 -0.30 1.56 1.01 -1.26 -5.07 120.40 116.70 1ujo s VAL 61 Ca -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1ujo s VAL 61 Cb 0.00 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 33.16 1ujo s VAL 61 CO 0.36 -0.33 0.06 -0.54 0.00 0.00 0.00 175.10 174.65 1ujo s LYS 62 N -5.06 1.05 -0.30 2.72 3.01 -1.26 -5.02 119.74 114.87 1ujo s LYS 62 Ca 0.56 -1.24 -0.26 0.00 -1.01 0.00 0.00 55.97 54.02 1ujo s LYS 62 Cb -0.11 -2.41 0.01 0.00 -1.01 0.00 0.00 37.83 34.31 1ujo s LYS 62 CO 0.45 -0.90 0.91 0.08 0.51 0.00 0.00 175.35 176.40 1ujo s VAL 63 N 1.41 4.69 0.92 3.17 1.01 -1.26 -5.03 120.40 125.30 1ujo s VAL 63 Ca 0.07 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1ujo s VAL 63 Cb -0.18 -4.25 0.14 0.00 0.00 0.00 0.00 36.38 32.09 1ujo s VAL 63 CO -0.17 -0.32 1.14 -2.16 0.00 0.00 0.00 175.10 173.60 1ujo s PRO 64 N 3.21 1.09 0.07 2.72 0.04 -1.26 -4.97 135.00 135.90 1ujo s PRO 64 Ca 0.38 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 1ujo s PRO 64 Cb -0.14 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1ujo s PRO 64 CO 0.13 -2.23 1.28 0.93 0.04 0.00 0.00 177.00 177.14 1ujo h GLU 65 N -1.52 -0.19 -5.98 4.56 5.08 -2.07 -3.43 114.58 111.03 1ujo h GLU 65 Ca -0.50 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.27 1ujo h GLU 65 Cb 1.33 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.50 1ujo h GLU 65 CO 0.61 -0.13 -0.65 -0.80 -1.00 0.00 0.00 179.01 177.04 1ujo s ASN 66 N -3.90 3.94 0.49 1.42 0.01 -1.26 -5.13 114.94 110.51 1ujo s ASN 66 Ca -0.07 -1.10 -0.20 0.00 -0.71 0.00 0.00 52.86 50.78 1ujo s ASN 66 Cb 0.04 -0.43 -0.08 0.00 0.41 0.00 0.00 41.25 41.18 1ujo s ASN 66 CO 0.31 -0.21 1.04 -2.16 -1.51 0.00 0.00 177.10 174.56 1ujo s PRO 67 N -3.66 3.79 0.78 -0.60 0.04 -1.26 -5.06 135.00 129.04 1ujo s PRO 67 Ca 0.33 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1ujo s PRO 67 Cb 0.01 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.65 1ujo s PRO 67 CO 0.18 -0.44 0.86 -0.35 0.04 0.00 0.00 177.00 177.29 1ujo n PRO 68 N -1.00 -1.72 0.00 0.56 -0.04 -1.26 -5.05 135.00 126.49 1ujo n PRO 68 Ca 0.09 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1ujo n PRO 68 Cb 0.53 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1ujo n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujo n SER 69 N -3.97 0.23 -4.44 3.54 2.88 -1.26 -4.87 113.62 105.73 1ujo n SER 69 Ca 0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.29 1ujo n SER 69 Cb 0.41 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.56 0.31 0.36 -1.46 2.81 -1.26 -4.68 117.12 110.64 1ujo n MET 70 Ca 0.00 0.14 -0.15 0.00 -1.81 0.00 0.00 57.70 55.88 1ujo n MET 70 Cb 0.18 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 30.88 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 -0.27 0.00 -1.06 2.03 2.07 -1.98 0.83 116.25 117.87 1ujo h VAL 71 Ca -0.45 -0.28 0.28 0.00 0.82 0.00 0.00 66.70 67.07 1ujo h VAL 71 Cb 1.36 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 1ujo h VAL 71 CO 0.43 0.00 0.67 -0.26 0.02 0.00 0.00 177.57 178.43 1ujo h PHE 72 N -1.24 0.71 0.06 1.57 -1.00 -1.98 0.84 116.94 115.91 1ujo h PHE 72 Ca -0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 1ujo h PHE 72 Cb 0.73 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1ujo h PHE 72 CO 0.00 0.02 -0.03 0.87 -1.61 0.00 0.00 178.31 177.56 1ujo h LYS 73 N 0.39 -0.08 -0.73 1.51 1.79 -1.89 -1.98 116.57 115.58 1ujo h LYS 73 Ca 0.63 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 59.26 1ujo h LYS 73 Cb 1.58 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 32.11 1ujo h LYS 73 CO -0.35 -0.05 -0.14 1.96 -1.08 0.00 0.00 179.45 179.78 1ujo h GLN 74 N -0.14 0.02 -0.29 3.15 4.20 -0.26 0.16 115.11 121.95 1ujo h GLN 74 Ca -0.01 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1ujo h GLN 74 Cb 0.06 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 1ujo h GLN 74 CO 0.01 0.01 -0.22 0.52 -0.67 0.00 0.00 178.83 178.48 1ujo h MET 75 N 0.02 -0.19 -0.55 1.46 2.86 0.60 -1.22 114.93 117.91 1ujo h MET 75 Ca 0.36 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.05 1ujo h MET 75 Cb 0.57 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1ujo h MET 75 CO -0.73 -0.13 0.33 0.93 1.06 0.00 0.00 176.91 178.36 1ujo h GLU 76 N -0.20 0.62 -0.96 1.72 5.08 -0.07 -1.70 114.58 119.08 1ujo h GLU 76 Ca 0.15 -0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.77 1ujo h GLU 76 Cb 0.44 -0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.40 1ujo h GLU 76 CO -0.41 0.41 0.40 0.37 -1.00 0.00 0.00 179.01 178.78 1ujo h GLN 77 N 0.64 0.21 0.14 2.33 5.75 0.42 0.37 115.11 124.98 1ujo h GLN 77 Ca 0.23 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1ujo h GLN 77 Cb 0.05 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1ujo h GLN 77 CO -0.11 0.14 -0.07 0.28 -2.65 0.00 0.00 178.83 176.42 1ujo h VAL 78 N 0.22 0.97 -0.95 2.39 2.07 -0.94 -3.12 116.25 116.88 1ujo h VAL 78 Ca 0.67 -1.11 0.29 0.00 0.82 0.00 0.00 66.70 67.37 1ujo h VAL 78 Cb 1.49 1.59 -0.15 0.00 -1.52 0.00 0.00 31.29 32.71 1ujo h VAL 78 CO -0.67 0.24 0.39 0.00 0.02 0.00 0.00 177.57 177.55 1ujo h ALA 79 N -0.12 1.64 -0.56 1.67 0.00 0.01 1.02 119.26 122.93 1ujo h ALA 79 Ca -0.02 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1ujo h ALA 79 Cb 0.54 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1ujo h ALA 79 CO 0.03 -0.55 0.23 1.96 0.00 0.00 0.00 179.25 180.92 1ujo h GLN 80 N 0.24 0.43 -0.16 0.00 4.20 -0.37 0.15 115.11 119.59 1ujo h GLN 80 Ca 0.66 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 59.21 1ujo h GLN 80 Cb 1.45 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1ujo h GLN 80 CO -0.66 0.28 -0.43 0.35 -0.67 0.00 0.00 178.83 177.71 1ujo h PHE 81 N 0.44 0.75 0.23 2.96 3.57 0.85 -2.39 116.94 123.34 1ujo h PHE 81 Ca 0.27 -0.29 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ujo h PHE 81 Cb 0.26 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1ujo h PHE 81 CO -0.14 1.05 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.47 1ujo h LEU 82 N 0.23 -1.28 -0.74 0.59 3.38 0.43 1.48 115.31 119.40 1ujo h LEU 82 Ca -0.01 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1ujo h LEU 82 Cb 1.04 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 42.16 1ujo h LEU 82 CO 0.09 -0.54 0.32 0.50 0.09 0.00 0.00 178.44 178.90 1ujo h LYS 83 N -0.75 0.48 -0.36 1.13 3.64 -0.78 0.70 116.57 120.63 1ujo h LYS 83 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ujo h LYS 83 Cb 0.73 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1ujo h LYS 83 CO -0.19 0.32 0.17 0.00 -2.27 0.00 0.00 179.45 177.48 1ujo h ALA 84 N 1.51 0.47 -0.55 5.00 0.00 -0.71 -0.40 119.26 124.58 1ujo h ALA 84 Ca 0.39 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1ujo h ALA 84 Cb 0.54 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1ujo h ALA 84 CO -0.36 0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.04 1ujo h ALA 85 N 1.02 0.63 0.04 0.00 0.00 0.41 -0.71 119.26 120.64 1ujo h ALA 85 Ca 0.12 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ujo h ALA 85 Cb 0.13 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ujo h ALA 85 CO -0.01 -0.31 -0.02 1.49 0.00 0.00 0.00 179.25 180.40 1ujo h GLU 86 N 0.24 -0.05 -0.98 0.00 4.81 -0.55 -2.24 114.58 115.81 1ujo h GLU 86 Ca 0.28 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.77 1ujo h GLU 86 Cb 0.40 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.66 1ujo h GLU 86 CO -0.37 0.02 0.55 -0.44 -0.73 0.00 0.00 179.01 178.04 1ujo h ASP 87 N -0.11 0.57 -0.06 1.04 3.32 -0.04 0.64 116.42 121.78 1ujo h ASP 87 Ca -0.01 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.24 1ujo h ASP 87 Cb 0.09 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1ujo h ASP 87 CO 0.01 0.03 -0.33 0.22 -1.72 0.00 0.00 179.24 177.44 1ujo h TYR 88 N 0.49 -0.91 0.00 4.55 3.20 -0.54 -3.45 116.97 120.30 1ujo h TYR 88 Ca 0.65 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.55 1ujo h TYR 88 Cb 1.30 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.98 1ujo h TYR 88 CO -0.03 -0.41 0.00 0.41 -1.64 0.00 0.00 178.16 176.48 1ujo n GLY 89 N -1.41 0.00 3.51 1.82 0.00 0.20 -5.11 105.19 104.19 1ujo n GLY 89 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 3.99 1.29 1.61 1.01 -1.10 -5.00 120.40 122.20 1ujo s VAL 90 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1ujo s VAL 90 Cb 0.00 -2.76 0.32 0.00 0.00 0.00 0.00 36.38 33.95 1ujo s VAL 90 CO 0.00 0.48 0.98 0.27 0.00 0.00 0.00 175.10 176.84 1ujo s ILE 91 N 0.43 1.63 -0.84 2.22 -4.36 -1.26 -4.63 121.20 114.39 1ujo s ILE 91 Ca -0.03 0.00 0.25 0.00 -0.26 0.00 0.00 60.65 60.62 1ujo s ILE 91 Cb -0.14 -2.09 0.08 0.00 1.25 0.00 0.00 42.46 41.56 1ujo s ILE 91 CO 0.03 0.00 1.48 2.29 0.24 0.00 0.00 174.94 178.98 1ujo n LYS 92 N -5.26 0.14 0.03 0.37 -0.00 -1.26 -3.09 118.16 109.09 1ujo n LYS 92 Ca 0.07 0.05 0.12 0.00 -0.00 0.00 0.00 58.31 58.55 1ujo n LYS 92 Cb 0.57 -1.60 0.19 0.00 -0.00 0.00 0.00 35.03 34.19 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1ujo n THR 93 N -1.81 0.19 -0.00 0.58 -1.04 -1.26 -3.69 114.28 107.25 1ujo n THR 93 Ca 0.05 -0.16 0.09 0.00 -2.04 0.00 0.00 64.05 61.99 1ujo n THR 93 Cb 0.39 0.06 -0.14 0.00 -1.82 0.00 0.00 70.33 68.81 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ujo n ASP 94 N -1.84 0.14 -4.81 8.00 8.00 -1.21 -4.94 116.55 119.88 1ujo n ASP 94 Ca 0.04 0.05 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 1ujo n ASP 94 Cb 0.40 1.65 -0.07 0.00 -0.02 0.00 0.00 41.12 43.08 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ujo s MET 95 N -3.38 4.33 0.39 -1.24 -1.94 -1.18 -2.14 119.30 114.14 1ujo s MET 95 Ca -0.07 1.12 0.04 0.00 -1.71 0.00 0.00 55.69 55.07 1ujo s MET 95 Cb 0.13 -2.49 0.04 0.00 2.01 0.00 0.00 34.83 34.51 1ujo s MET 95 CO 0.88 0.14 0.32 1.97 -0.01 0.00 0.00 175.02 178.33 1ujo n PHE 96 N -0.06 -1.03 -3.66 -0.03 1.16 -1.26 -4.97 117.46 107.61 1ujo n PHE 96 Ca 0.04 -1.64 -0.38 0.00 -1.87 0.00 0.00 57.45 53.60 1ujo n PHE 96 Cb 0.52 -0.33 -0.06 0.00 -1.61 0.00 0.00 39.48 38.00 1ujo n PHE 96 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1ujo s GLN 97 N -3.63 3.75 0.62 3.97 -0.21 -1.26 -4.94 119.66 117.95 1ujo s GLN 97 Ca 0.24 0.18 0.24 0.00 0.02 0.00 0.00 55.36 56.04 1ujo s GLN 97 Cb -0.02 -3.22 1.13 0.00 1.00 0.00 0.00 33.01 31.90 1ujo s GLN 97 CO 0.16 0.70 1.59 1.15 -2.12 0.00 0.00 175.29 176.77 1ujo h THR 98 N 3.87 0.13 0.12 -0.19 2.02 -1.98 1.48 112.91 118.35 1ujo h THR 98 Ca -0.52 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.32 1ujo h THR 98 Cb 1.22 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1ujo h THR 98 CO 0.61 0.00 -1.76 -0.37 0.37 0.00 0.00 175.52 174.37 1ujo h VAL 99 N 0.00 0.88 -0.30 3.16 -1.51 -1.95 -1.44 116.25 115.08 1ujo h VAL 99 Ca 0.23 -2.57 0.09 0.00 -1.23 0.00 0.00 66.70 63.22 1ujo h VAL 99 Cb 1.74 2.62 -0.01 0.00 -2.13 0.00 0.00 31.29 33.51 1ujo h VAL 99 CO -0.00 0.80 0.56 0.44 -1.23 0.00 0.00 177.57 178.15 1ujo h ASP 100 N 0.07 0.00 0.00 4.19 3.32 0.18 0.92 116.42 125.09 1ujo h ASP 100 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1ujo h ASP 100 Cb 2.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.59 1ujo h ASP 100 CO 0.13 0.00 -0.44 -0.11 -1.72 0.00 0.00 179.24 177.10 1ujo n LEU 101 N -3.23 1.09 -0.10 1.55 7.94 -1.05 -2.28 117.00 120.93 1ujo n LEU 101 Ca 0.05 0.17 -0.06 0.00 -1.11 0.00 0.00 56.01 55.06 1ujo n LEU 101 Cb 0.69 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1ujo n LEU 101 CO 0.19 -0.46 0.70 0.22 -1.11 0.00 0.00 177.39 176.93 1ujo h TYR 102 N -0.44 -0.60 -0.38 1.96 3.20 -1.04 0.32 116.97 119.99 1ujo h TYR 102 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ujo h TYR 102 Cb 0.44 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1ujo h TYR 102 CO -0.19 -0.31 0.00 0.39 -1.64 0.00 0.00 178.16 176.41 1ujo n GLU 103 N -5.39 2.23 -2.47 1.82 -0.58 0.31 -4.88 120.64 111.68 1ujo n GLU 103 Ca 0.01 -1.50 -0.02 0.00 -0.42 0.00 0.00 57.16 55.23 1ujo n GLU 103 Cb 0.30 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.93 -0.46 0.22 0.62 0.00 0.11 -4.72 105.19 101.89 1ujo n GLY 104 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.05 0.53 -2.85 1.61 1.57 -1.41 -3.39 116.57 112.58 1ujo h LYS 105 Ca -0.03 -0.03 -0.43 0.00 -1.87 0.00 0.00 60.65 58.28 1ujo h LYS 105 Cb 0.95 -0.12 -0.39 0.00 0.08 0.00 0.00 32.23 32.75 1ujo h LYS 105 CO 0.05 0.35 -0.72 -0.51 -0.57 0.00 0.00 179.45 178.05 1ujo s ASP 106 N -5.52 2.30 0.02 0.86 1.01 -0.96 -4.99 116.67 109.38 1ujo s ASP 106 Ca -0.13 -0.64 -0.06 0.00 0.71 0.00 0.00 52.55 52.42 1ujo s ASP 106 Cb 0.14 -0.08 -0.30 0.00 1.01 0.00 0.00 42.92 43.69 1ujo s ASP 106 CO 0.74 -0.36 0.93 0.24 0.21 0.00 0.00 175.17 176.93 1ujo h MET 107 N 8.39 0.32 -1.03 8.23 2.86 -1.76 -3.21 114.93 128.72 1ujo h MET 107 Ca -0.16 -0.55 0.29 0.00 -2.06 0.00 0.00 59.70 57.22 1ujo h MET 107 Cb 1.12 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.93 1ujo h MET 107 CO 0.32 1.22 0.72 0.00 1.06 0.00 0.00 176.91 180.23 1ujo h ALA 108 N 0.42 2.78 0.05 6.32 0.00 -1.94 0.79 119.26 127.68 1ujo h ALA 108 Ca -0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ujo h ALA 108 Cb 2.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ujo h ALA 108 CO 0.19 -1.10 -0.03 0.00 0.00 0.00 0.00 179.25 178.32 1ujo h ALA 109 N 1.52 -0.07 -1.79 0.00 0.00 -1.93 -2.40 119.26 114.59 1ujo h ALA 109 Ca 0.51 -0.30 0.53 0.00 0.00 0.00 0.00 54.91 55.65 1ujo h ALA 109 Cb 1.83 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 1ujo h ALA 109 CO -0.08 -0.12 1.27 0.28 0.00 0.00 0.00 179.25 180.60 1ujo h VAL 110 N -0.91 0.07 0.00 0.00 2.07 -0.88 0.80 116.25 117.40 1ujo h VAL 110 Ca -0.01 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1ujo h VAL 110 Cb 0.62 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1ujo h VAL 110 CO 0.01 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 179.02 1ujo h GLN 111 N 0.01 0.00 -1.35 1.57 4.20 -1.33 -3.21 115.11 115.00 1ujo h GLN 111 Ca 0.88 0.00 0.41 0.00 0.06 0.00 0.00 58.65 60.00 1ujo h GLN 111 Cb 3.44 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 31.12 1ujo h GLN 111 CO -0.08 0.82 0.92 -0.09 -0.67 0.00 0.00 178.83 179.73 1ujo h ARG 112 N -1.00 0.11 0.34 1.46 1.12 0.11 0.21 114.38 116.72 1ujo h ARG 112 Ca -0.04 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1ujo h ARG 112 Cb 0.86 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 1ujo h ARG 112 CO -0.02 0.07 -0.16 1.15 -3.11 0.00 0.00 179.97 177.90 1ujo h THR 113 N 0.11 0.00 -0.62 0.20 2.02 -0.62 -3.10 112.91 110.89 1ujo h THR 113 Ca 0.74 -0.25 0.12 0.00 0.77 0.00 0.00 66.41 67.79 1ujo h THR 113 Cb 2.51 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.80 1ujo h THR 113 CO -0.23 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.40 1ujo h LEU 114 N -0.70 -0.70 -1.30 2.58 3.38 -1.06 0.56 115.31 118.07 1ujo h LEU 114 Ca -0.05 0.20 0.41 0.00 0.09 0.00 0.00 57.88 58.53 1ujo h LEU 114 Cb 0.35 0.43 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 1ujo h LEU 114 CO 0.08 -0.23 0.77 0.24 0.09 0.00 0.00 178.44 179.38 1ujo h MET 115 N -0.04 0.12 0.05 1.13 2.86 -0.74 0.59 114.93 118.89 1ujo h MET 115 Ca 0.29 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1ujo h MET 115 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1ujo h MET 115 CO -0.66 0.08 -0.02 0.00 1.06 0.00 0.00 176.91 177.36 1ujo h ALA 116 N 1.68 -0.06 -0.83 6.32 0.00 0.14 -2.75 119.26 123.75 1ujo h ALA 116 Ca 0.80 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.74 1ujo h ALA 116 Cb 2.37 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 20.03 1ujo h ALA 116 CO -0.48 -0.07 -0.17 1.25 0.00 0.00 0.00 179.25 179.78 1ujo h LEU 117 N -1.00 -0.72 0.03 0.00 5.85 0.58 0.63 115.31 120.69 1ujo h LEU 117 Ca -0.01 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1ujo h LEU 117 Cb 0.30 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1ujo h LEU 117 CO 0.01 -0.27 -0.02 1.23 -0.34 0.00 0.00 178.44 179.05 1ujo h GLY 118 N 0.01 -0.37 -0.84 3.75 0.00 -0.06 0.30 103.07 105.86 1ujo h GLY 118 Ca 0.41 0.16 0.39 0.00 0.00 0.00 0.00 47.33 48.29 1ujo h GLY 118 CO -0.84 -0.14 0.80 0.23 0.00 0.00 0.00 176.54 176.59 1ujo h SER 119 N -0.04 0.29 0.12 0.19 0.87 -1.06 0.80 113.55 114.72 1ujo h SER 119 Ca -0.00 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1ujo h SER 119 Cb 0.03 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ujo h SER 119 CO 0.00 -0.11 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.07 1ujo h LEU 120 N 0.16 -0.13 -1.99 2.23 3.38 0.68 0.79 115.31 120.44 1ujo h LEU 120 Ca 0.76 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1ujo h LEU 120 Cb 2.28 0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.07 1ujo h LEU 120 CO -0.38 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.33 1ujo h ALA 121 N 0.38 1.00 0.09 1.53 0.00 0.43 1.49 119.26 124.18 1ujo h ALA 121 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1ujo h ALA 121 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ujo h ALA 121 CO 0.03 0.00 -0.91 0.28 0.00 0.00 0.00 179.25 178.65 1ujo h VAL 122 N 0.00 1.34 0.06 0.00 2.07 0.10 -2.05 116.25 117.78 1ujo h VAL 122 Ca 0.00 -2.42 -0.27 0.00 0.82 0.00 0.00 66.70 64.83 1ujo h VAL 122 Cb 0.08 2.98 0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1ujo h VAL 122 CO 0.00 0.65 -1.10 0.74 0.02 0.00 0.00 177.57 177.88 1ujo h THR 123 N -0.53 1.30 0.00 2.57 2.02 0.31 -3.28 112.91 115.29 1ujo h THR 123 Ca -0.19 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1ujo h THR 123 Cb 1.53 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 1ujo h THR 123 CO 0.05 0.71 0.00 0.29 0.37 0.00 0.00 175.52 176.95 1ujo n LYS 124 N -3.87 0.00 -3.32 6.66 5.02 0.50 -4.69 118.16 118.46 1ujo n LYS 124 Ca -0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.91 1ujo n LYS 124 Cb 0.91 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.85 1ujo n LYS 124 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ujo n ASN 125 N 0.00 1.82 -0.69 4.39 0.23 -1.24 -4.92 115.26 114.84 1ujo n ASN 125 Ca 0.00 -3.03 0.52 0.00 -0.53 0.00 0.00 54.58 51.54 1ujo n ASN 125 Cb 0.00 -0.65 0.80 0.00 -2.08 0.00 0.00 39.78 37.84 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1ujo n ASP 126 N 1.22 0.01 -0.36 0.53 5.75 -0.77 0.17 116.55 123.10 1ujo n ASP 126 Ca 0.25 0.98 0.30 0.00 -0.01 0.00 0.00 54.79 56.31 1ujo n ASP 126 Cb 0.47 -0.49 0.60 0.00 -1.03 0.00 0.00 41.12 40.67 1ujo n ASP 126 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ujo h GLY 127 N 0.00 0.93 1.85 6.12 0.00 -1.91 1.42 103.07 111.49 1ujo h GLY 127 Ca 0.92 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 47.90 1ujo h GLY 127 CO -0.03 -0.16 -0.97 3.43 0.00 0.00 0.00 176.54 178.81 1ujo h ASN 128 N 0.22 0.17 -2.28 0.19 -0.26 0.14 -3.44 115.58 110.32 1ujo h ASN 128 Ca 0.65 -0.16 -0.55 0.00 -0.56 0.00 0.00 56.30 55.68 1ujo h ASN 128 Cb 1.98 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 39.20 1ujo h ASN 128 CO -0.25 1.04 1.31 -0.47 -1.06 0.00 0.00 177.43 178.00 1ujo s TYR 129 N -2.95 1.32 0.08 1.19 6.14 0.49 -4.72 117.35 118.90 1ujo s TYR 129 Ca -0.01 -0.05 -0.34 0.00 0.64 0.00 0.00 57.07 57.30 1ujo s TYR 129 Cb 0.10 -4.12 -0.18 0.00 0.42 0.00 0.00 41.96 38.18 1ujo s TYR 129 CO 0.83 -4.87 1.60 0.00 0.64 0.00 0.00 175.55 173.75 1ujo h ARG 130 N 12.01 -0.94 0.00 4.97 2.47 -1.86 -3.44 114.38 127.59 1ujo h ARG 130 Ca -0.45 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1ujo h ARG 130 Cb 1.23 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.76 1ujo h ARG 130 CO 0.95 -0.63 0.00 0.41 0.56 0.00 0.00 179.97 181.26 1ujo n GLY 131 N -1.53 -3.27 3.88 0.04 0.00 -1.26 -5.00 105.19 98.05 1ujo n GLY 131 Ca -0.13 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.87 6.56 0.24 1.61 1.11 -1.26 -4.99 116.67 118.08 1ujo s ASP 132 Ca 0.00 0.88 0.11 0.00 0.18 0.00 0.00 52.55 53.72 1ujo s ASP 132 Cb 0.00 -2.21 0.22 0.00 1.07 0.00 0.00 42.92 42.00 1ujo s ASP 132 CO 0.00 -0.14 1.52 1.55 1.18 0.00 0.00 175.17 179.28 1ujo h PRO 133 N 2.17 0.00 -2.05 8.23 0.13 -1.92 -3.27 132.00 135.30 1ujo h PRO 133 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 1ujo h PRO 133 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1ujo h PRO 133 CO 0.68 0.69 0.13 0.09 -0.23 0.00 0.00 178.00 179.35 1ujo n ASN 134 N -3.60 5.91 -0.01 1.44 3.02 -1.26 -3.74 115.26 117.01 1ujo n ASN 134 Ca -0.00 -2.78 -0.04 0.00 -0.03 0.00 0.00 54.58 51.73 1ujo n ASN 134 Cb 0.70 -1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 1ujo n ASN 134 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ujo n TRP 135 N 1.90 0.00 0.01 3.10 7.02 -1.23 -4.82 117.44 123.42 1ujo n TRP 135 Ca 0.47 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.77 1ujo n TRP 135 Cb 0.74 -0.20 -0.14 0.00 -2.42 0.00 0.00 31.31 29.28 1ujo n TRP 135 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1ujo h PHE 136 N -0.35 0.38 -3.79 -5.99 0.04 -1.84 -3.48 116.94 101.91 1ujo h PHE 136 Ca -0.04 -0.28 -0.55 0.00 2.80 0.00 0.00 57.97 59.90 1ujo h PHE 136 Cb 0.49 -0.02 0.18 0.00 2.20 0.00 0.00 35.95 38.80 1ujo h PHE 136 CO -0.13 1.58 0.12 -0.12 -0.60 0.00 0.00 178.31 179.16 1ujo n MET 137 N -3.38 0.53 -4.04 1.51 1.56 -1.25 -4.95 117.12 107.09 1ujo n MET 137 Ca -0.27 0.24 -0.08 0.00 -0.27 0.00 0.00 57.70 57.31 1ujo n MET 137 Cb 1.05 -2.24 -0.10 0.00 2.15 0.00 0.00 33.22 34.08 1ujo n MET 137 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1ujo s LYS 138 N -3.35 0.48 -0.19 2.12 1.02 -1.26 -4.92 119.74 113.63 1ujo s LYS 138 Ca 0.74 -0.94 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 1ujo s LYS 138 Cb -0.35 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1ujo s LYS 138 CO 0.50 -0.08 -0.08 -1.54 -0.92 0.00 0.00 175.35 173.23 1ujo s SER 139 N -2.24 4.08 0.04 2.83 1.04 -1.26 -5.07 113.70 113.12 1ujo s SER 139 Ca -0.04 -0.41 -0.23 0.00 0.48 0.00 0.00 55.95 55.76 1ujo s SER 139 Cb -0.00 -1.68 0.08 0.00 0.10 0.00 0.00 66.02 64.52 1ujo s SER 139 CO -0.06 0.03 1.04 0.61 0.98 0.00 0.00 173.24 175.84 1ujo n GLY 140 N 4.48 0.42 3.36 7.32 0.00 -1.26 -5.06 105.19 114.44 1ujo n GLY 140 Ca -0.19 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1ujo n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 141 N -0.74 2.32 -4.20 1.61 -0.04 -1.26 -4.87 135.00 127.81 1ujo n PRO 141 Ca 0.02 -2.65 -0.13 0.00 -0.04 0.00 0.00 63.50 60.69 1ujo n PRO 141 Cb 0.51 -3.44 -0.10 0.00 -0.04 0.00 0.00 33.50 30.43 1ujo n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujo s SER 142 N 4.92 1.52 -0.09 3.54 0.15 -1.26 -5.16 113.70 117.33 1ujo s SER 142 Ca 0.58 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 1ujo s SER 142 Cb 0.06 0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1ujo s SER 142 CO 0.08 -0.33 0.21 -0.44 1.20 0.00 0.00 173.24 173.95 1ujo s SER 143 N -2.86 -0.21 0.00 5.45 0.01 -1.26 -5.20 113.70 109.62 1ujo s SER 143 Ca 0.11 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1ujo s SER 143 Cb 0.01 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1ujo s SER 143 CO -0.01 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.11