#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 -4.13 -3.09 1.61 7.64 -1.26 -5.11 113.62 109.28 1ujo n SER 2 Ca 0.00 0.92 -0.00 0.00 1.01 0.00 0.00 58.87 60.80 1ujo n SER 2 Cb 0.00 3.83 -0.00 0.00 -1.01 0.00 0.00 64.21 67.03 1ujo n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ujo n SER 3 N -3.50 -6.85 0.00 6.43 3.41 -1.26 -4.92 113.62 106.93 1ujo n SER 3 Ca 0.00 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1ujo n SER 3 Cb 0.00 -2.34 0.00 0.00 -0.26 0.00 0.00 64.21 61.61 1ujo n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujo n GLY 4 N 1.19 2.64 1.45 5.00 0.00 -1.26 -5.16 105.19 109.06 1ujo n GLY 4 Ca -0.00 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.25 1ujo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujo n SER 5 N 0.00 -8.62 -3.86 1.61 7.64 -1.26 -4.83 113.62 104.29 1ujo n SER 5 Ca 0.00 1.11 -0.24 0.00 1.01 0.00 0.00 58.87 60.74 1ujo n SER 5 Cb 0.00 -4.75 0.14 0.00 -1.01 0.00 0.00 64.21 58.59 1ujo n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujo n SER 6 N -4.33 -2.78 0.00 6.43 2.88 -1.26 -4.80 113.62 109.76 1ujo n SER 6 Ca -0.05 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1ujo n SER 6 Cb 0.68 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 7 N 2.41 0.81 1.62 0.46 0.00 -1.26 -4.33 105.19 104.90 1ujo n GLY 7 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.23 -0.05 1.61 1.02 -1.26 -4.24 120.64 113.48 1ujo n GLU 8 Ca 0.00 3.29 -0.22 0.00 -0.02 0.00 0.00 57.16 60.21 1ujo n GLU 8 Cb 0.00 -4.11 -0.13 0.00 -0.02 0.00 0.00 31.44 27.18 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 0.18 0.13 -0.45 3.49 4.39 -2.00 -3.26 114.58 117.05 1ujo h GLU 9 Ca 0.00 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.51 1ujo h GLU 9 Cb 0.99 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 1ujo h GLU 9 CO 0.00 1.11 0.23 1.25 -1.16 0.00 0.00 179.01 180.44 1ujo h LEU 10 N -0.52 0.35 -0.22 1.33 5.85 -2.00 -2.30 115.31 117.80 1ujo h LEU 10 Ca -0.37 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1ujo h LEU 10 Cb 1.63 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 1ujo h LEU 10 CO -0.07 0.25 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.10 1ujo h GLU 11 N 0.47 -0.07 -0.81 1.25 4.81 -1.81 -1.44 114.58 116.97 1ujo h GLU 11 Ca 0.19 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.62 1ujo h GLU 11 Cb 0.08 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.34 1ujo h GLU 11 CO -0.13 -0.05 0.01 0.93 -0.73 0.00 0.00 179.01 179.05 1ujo h GLU 12 N -0.08 0.09 0.22 1.92 4.39 -1.46 0.10 114.58 119.77 1ujo h GLU 12 Ca 0.12 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ujo h GLU 12 Cb 0.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1ujo h GLU 12 CO -0.27 0.06 -0.16 0.00 -1.16 0.00 0.00 179.01 177.48 1ujo h ARG 13 N 0.09 -0.37 -0.95 2.33 3.08 -1.00 0.34 114.38 117.91 1ujo h ARG 13 Ca 0.45 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.66 1ujo h ARG 13 Cb 0.82 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 30.81 1ujo h ARG 13 CO -0.72 -0.24 -0.42 -0.07 -1.07 0.00 0.00 179.97 177.45 1ujo h LEU 14 N -0.38 -1.54 0.74 3.04 4.07 -0.10 0.87 115.31 122.01 1ujo h LEU 14 Ca -0.02 0.31 -0.04 0.00 0.08 0.00 0.00 57.88 58.21 1ujo h LEU 14 Cb 0.33 0.78 0.01 0.00 1.08 0.00 0.00 40.66 42.85 1ujo h LEU 14 CO 0.00 -0.28 -0.36 0.58 -1.08 0.00 0.00 178.44 177.30 1ujo h VAL 15 N -0.02 0.05 -1.84 1.22 2.07 -1.08 -0.91 116.25 115.74 1ujo h VAL 15 Ca 0.30 -0.26 0.53 0.00 0.82 0.00 0.00 66.70 68.10 1ujo h VAL 15 Cb 0.56 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1ujo h VAL 15 CO -0.95 0.01 1.34 -0.33 0.02 0.00 0.00 177.57 177.66 1ujo h GLU 16 N -1.24 0.00 0.11 1.57 5.08 0.13 0.74 114.58 120.97 1ujo h GLU 16 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ujo h GLU 16 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ujo h GLU 16 CO 0.17 0.00 -0.05 2.35 -1.00 0.00 0.00 179.01 180.48 1ujo h TRP 17 N 0.00 -0.13 -0.43 4.33 7.01 0.11 -2.90 115.95 123.94 1ujo h TRP 17 Ca 0.88 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 62.00 1ujo h TRP 17 Cb 3.54 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 30.63 1ujo h TRP 17 CO 0.00 0.02 0.65 0.82 -2.79 0.00 0.00 178.44 177.14 1ujo h ILE 18 N -1.02 0.17 0.12 2.65 2.04 0.17 0.93 117.51 122.56 1ujo h ILE 18 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ujo h ILE 18 Cb 0.21 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1ujo h ILE 18 CO 0.02 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.70 1ujo h VAL 19 N 0.00 1.07 -0.35 1.67 2.07 -0.26 0.46 116.25 120.91 1ujo h VAL 19 Ca 0.20 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1ujo h VAL 19 Cb 1.50 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1ujo h VAL 19 CO -0.00 0.26 -0.30 -0.37 0.02 0.00 0.00 177.57 177.18 1ujo h VAL 20 N -0.74 1.28 0.06 2.57 -1.51 0.08 1.42 116.25 119.40 1ujo h VAL 20 Ca -0.02 -1.43 -0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1ujo h VAL 20 Cb 0.54 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1ujo h VAL 20 CO 0.03 0.47 -0.03 1.56 -1.23 0.00 0.00 177.57 178.37 1ujo h GLN 21 N 0.63 -0.07 0.26 5.19 1.08 0.57 -3.34 115.11 119.44 1ujo h GLN 21 Ca 0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1ujo h GLN 21 Cb 0.82 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1ujo h GLN 21 CO 0.07 -0.05 -0.12 0.00 -0.95 0.00 0.00 178.83 177.78 1ujo n GLY 23 N -0.47 1.19 2.33 0.00 0.00 0.49 -4.77 105.19 103.95 1ujo n GLY 23 Ca -0.09 -2.24 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.69 2.23 0.00 1.61 -0.04 -1.25 -3.34 135.00 133.52 1ujo n PRO 24 Ca 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1ujo n PRO 24 Cb 0.00 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1ujo n PRO 24 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ujo n ASP 25 N 3.37 1.20 0.17 3.54 8.00 -1.26 -4.75 116.55 126.83 1ujo n ASP 25 Ca 0.48 0.00 0.04 0.00 0.71 0.00 0.00 54.79 56.01 1ujo n ASP 25 Cb 0.40 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.78 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1ujo h VAL 26 N 0.00 1.03 0.00 2.53 -1.51 -1.90 -3.49 116.25 112.91 1ujo h VAL 26 Ca 0.00 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 1ujo h VAL 26 Cb 0.62 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1ujo h VAL 26 CO 0.00 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.39 1ujo n GLY 27 N 0.27 0.80 3.38 5.19 0.00 -1.26 -4.99 105.19 108.58 1ujo n GLY 27 Ca -0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 1.20 0.00 1.61 3.52 -1.26 -4.86 118.95 119.16 1ujo s ARG 28 Ca 0.00 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 1ujo s ARG 28 Cb 0.00 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 1ujo s ARG 28 CO 0.00 -0.46 0.00 -0.35 -0.81 0.00 0.00 175.30 173.68 1ujo n PRO 29 N -0.24 -0.22 -3.09 5.12 -0.04 -1.26 -5.07 135.00 130.20 1ujo n PRO 29 Ca -0.09 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 1ujo n PRO 29 Cb 0.63 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.15 1ujo n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ujo s ASP 30 N -1.25 5.02 1.08 3.54 1.01 -1.26 -5.02 116.67 119.80 1ujo s ASP 30 Ca 0.00 -0.91 -0.21 0.00 0.71 0.00 0.00 52.55 52.13 1ujo s ASP 30 Cb 0.00 0.40 0.01 0.00 1.01 0.00 0.00 42.92 44.34 1ujo s ASP 30 CO 0.00 -1.38 -0.47 -2.11 0.21 0.00 0.00 175.17 171.42 1ujo n ARG 31 N -2.25 -1.11 -1.53 8.23 0.00 -1.26 -4.53 116.66 114.20 1ujo n ARG 31 Ca 0.15 -0.31 -0.26 0.00 -0.00 0.00 0.00 57.85 57.44 1ujo n ARG 31 Cb 0.62 -1.49 -0.11 0.00 -0.00 0.00 0.00 32.46 31.48 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 2.48 -0.21 1.03 2.89 0.00 -1.26 -4.62 105.19 105.49 1ujo n GLY 32 Ca -0.00 0.46 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 8.01 0.20 0.22 1.61 5.12 -1.26 -4.07 116.66 126.50 1ujo n ARG 33 Ca 0.53 -0.44 0.14 0.00 -1.93 0.00 0.00 57.85 56.15 1ujo n ARG 33 Cb 0.32 0.59 0.77 0.00 -1.16 0.00 0.00 32.46 32.98 1ujo n ARG 33 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1ujo h LEU 34 N 0.00 0.00 -0.84 0.55 -0.00 -1.96 -3.02 115.31 110.04 1ujo h LEU 34 Ca -0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.92 1ujo h LEU 34 Cb 0.32 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.86 1ujo h LEU 34 CO 0.10 0.00 -0.37 0.61 -0.00 0.00 0.00 178.44 178.78 1ujo n GLY 35 N -1.23 -1.84 0.34 0.83 0.00 -1.26 0.73 105.19 102.76 1ujo n GLY 35 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.73 -0.55 1.61 3.57 -1.80 0.40 116.94 119.44 1ujo h PHE 36 Ca 0.25 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.95 1ujo h PHE 36 Cb 0.46 0.45 -0.11 0.00 2.79 0.00 0.00 35.95 39.55 1ujo h PHE 36 CO -0.77 -0.38 -0.16 0.37 -2.23 0.00 0.00 178.31 175.14 1ujo h GLN 37 N -0.04 -0.03 -0.18 1.11 4.15 0.06 0.12 115.11 120.32 1ujo h GLN 37 Ca 0.36 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 1ujo h GLN 37 Cb 0.60 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1ujo h GLN 37 CO -0.87 -0.02 0.11 0.28 -1.93 0.00 0.00 178.83 176.40 1ujo h VAL 38 N -0.03 1.08 -1.00 2.39 2.07 -0.11 0.23 116.25 120.87 1ujo h VAL 38 Ca 0.26 -0.19 0.27 0.00 0.82 0.00 0.00 66.70 67.86 1ujo h VAL 38 Cb 0.43 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1ujo h VAL 38 CO -0.58 0.07 0.69 -0.25 0.02 0.00 0.00 177.57 177.52 1ujo h TRP 39 N 0.21 0.32 -0.72 1.57 7.01 0.13 0.79 115.95 125.27 1ujo h TRP 39 Ca 0.06 0.01 -0.51 0.00 2.11 0.00 0.00 58.89 60.56 1ujo h TRP 39 Cb 0.02 -0.10 -0.35 0.00 -2.10 0.00 0.00 29.16 26.64 1ujo h TRP 39 CO -0.05 0.05 -0.39 1.28 -2.79 0.00 0.00 178.44 176.54 1ujo n LEU 40 N -4.41 5.31 -0.09 0.65 4.77 0.23 -4.65 117.00 118.81 1ujo n LEU 40 Ca 0.22 -4.52 -0.13 0.00 -0.03 0.00 0.00 56.01 51.55 1ujo n LEU 40 Cb 0.94 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1ujo n LEU 40 CO 0.33 1.86 -0.80 1.17 -1.33 0.00 0.00 177.39 178.63 1ujo n LYS 41 N -0.81 0.48 -0.34 3.23 4.81 0.28 -4.55 118.16 121.25 1ujo n LYS 41 Ca 0.46 0.20 0.05 0.00 -0.87 0.00 0.00 58.31 58.14 1ujo n LYS 41 Cb 0.90 -1.33 0.12 0.00 0.02 0.00 0.00 35.03 34.74 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 -0.88 -0.93 0.00 3.14 4.21 -1.82 -3.44 115.58 115.86 1ujo h ASN 42 Ca -0.16 0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1ujo h ASN 42 Cb 1.06 0.60 0.00 0.00 -1.12 0.00 0.00 38.32 38.86 1ujo h ASN 42 CO -0.10 -0.31 0.00 0.61 -1.29 0.00 0.00 177.43 176.34 1ujo n GLY 43 N -1.59 3.32 0.08 2.83 0.00 -1.26 -4.29 105.19 104.27 1ujo n GLY 43 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 0.89 -0.83 1.61 2.07 -1.87 -0.01 116.25 118.12 1ujo h VAL 44 Ca 0.00 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1ujo h VAL 44 Cb 0.00 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1ujo h VAL 44 CO 0.00 0.00 0.52 0.40 0.02 0.00 0.00 177.57 178.51 1ujo h ILE 45 N 0.03 1.09 -0.27 4.57 2.04 -1.91 0.03 117.51 123.09 1ujo h ILE 45 Ca 0.06 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1ujo h ILE 45 Cb 0.08 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 1ujo h ILE 45 CO -0.12 0.18 0.01 -0.07 0.00 0.00 0.00 178.15 178.16 1ujo h LEU 46 N 0.99 -0.08 -0.92 1.44 3.38 -1.65 0.55 115.31 119.01 1ujo h LEU 46 Ca 0.34 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.39 1ujo h LEU 46 Cb 0.08 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1ujo h LEU 46 CO -0.14 -0.01 0.61 0.77 0.09 0.00 0.00 178.44 179.76 1ujo h SER 47 N 0.10 1.04 -0.95 -0.43 4.64 -0.13 -1.25 113.55 116.56 1ujo h SER 47 Ca 0.13 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1ujo h SER 47 Cb 0.16 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 1ujo h SER 47 CO -0.20 0.74 0.63 0.11 -0.87 0.00 0.00 176.83 177.23 1ujo h LYS 48 N 1.22 1.20 0.00 4.77 1.57 0.16 0.19 116.57 125.69 1ujo h LYS 48 Ca 0.34 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ujo h LYS 48 Cb -0.10 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 31.94 1ujo h LYS 48 CO -0.09 0.80 0.00 -0.11 -0.57 0.00 0.00 179.45 179.48 1ujo n LEU 49 N -4.42 0.00 -0.31 2.94 7.94 0.07 0.18 117.00 123.40 1ujo n LEU 49 Ca 0.12 0.82 0.06 0.00 -1.11 0.00 0.00 56.01 55.90 1ujo n LEU 49 Cb 0.06 -0.32 0.15 0.00 0.53 0.00 0.00 43.42 43.84 1ujo n LEU 49 CO 0.36 -0.32 0.73 1.62 -1.11 0.00 0.00 177.39 178.66 1ujo h VAL 50 N 0.00 0.15 -0.82 1.96 3.04 -1.42 1.41 116.25 120.57 1ujo h VAL 50 Ca 0.00 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1ujo h VAL 50 Cb 0.00 0.13 -0.06 0.00 -2.01 0.00 0.00 31.29 29.35 1ujo h VAL 50 CO 0.00 0.00 0.50 0.78 -1.01 0.00 0.00 177.57 177.85 1ujo h ASN 51 N 0.02 0.80 -1.03 3.17 2.35 -0.76 -0.15 115.58 119.98 1ujo h ASN 51 Ca 0.45 0.01 0.26 0.00 -0.55 0.00 0.00 56.30 56.47 1ujo h ASN 51 Cb 0.76 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.88 1ujo h ASN 51 CO -0.86 0.52 0.67 0.77 -1.65 0.00 0.00 177.43 176.88 1ujo h SER 52 N 0.94 0.42 0.00 5.81 4.64 1.25 -3.12 113.55 123.48 1ujo h SER 52 Ca 0.35 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1ujo h SER 52 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ujo h SER 52 CO -0.16 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.08 1ujo n LEU 53 N -4.58 0.90 -3.38 5.97 4.77 -0.09 -4.86 117.00 115.72 1ujo n LEU 53 Ca 0.24 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 1ujo n LEU 53 Cb 0.87 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1ujo n LEU 53 CO 0.27 0.00 -0.50 -1.22 -1.33 0.00 0.00 177.39 174.61 1ujo n TYR 54 N -0.26 -2.26 -1.52 -1.77 4.01 -1.09 -4.62 117.16 109.65 1ujo n TYR 54 Ca 0.00 0.37 -0.30 0.00 -0.16 0.00 0.00 57.90 57.82 1ujo n TYR 54 Cb 0.00 -1.35 0.20 0.00 -0.31 0.00 0.00 39.34 37.88 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 -0.79 0.01 0.46 -0.72 0.04 -1.26 -4.79 135.00 127.95 1ujo s PRO 55 Ca 0.45 -0.14 0.26 0.00 0.04 0.00 0.00 61.00 61.61 1ujo s PRO 55 Cb -0.40 -1.75 1.03 0.00 0.04 0.00 0.00 34.50 33.42 1ujo s PRO 55 CO 0.52 -2.88 1.87 1.05 0.04 0.00 0.00 177.00 177.61 1ujo h GLU 56 N -1.98 0.00 -0.83 4.56 4.11 -1.92 -2.36 114.58 116.16 1ujo h GLU 56 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1ujo h GLU 56 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ujo h GLU 56 CO 0.41 0.18 0.00 0.41 0.07 0.00 0.00 179.01 180.09 1ujo n GLY 57 N 0.05 1.87 1.33 1.06 0.00 -1.26 -4.30 105.19 103.95 1ujo n GLY 57 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.20 0.00 -3.29 1.61 2.88 -0.91 -5.09 113.62 109.02 1ujo n SER 58 Ca 0.09 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.47 1ujo n SER 58 Cb 0.54 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.32 -1.12 -0.01 -1.46 4.01 -1.05 -4.89 118.16 111.32 1ujo n LYS 59 Ca 0.00 1.15 -0.17 0.00 -0.51 0.00 0.00 58.31 58.78 1ujo n LYS 59 Cb 0.00 -1.70 -0.10 0.00 -0.51 0.00 0.00 35.03 32.71 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 2.93 0.39 -6.39 1.97 0.13 -1.95 -3.45 132.00 125.62 1ujo h PRO 60 Ca -0.23 -0.38 -0.47 0.00 -0.87 0.00 0.00 66.00 64.05 1ujo h PRO 60 Cb 1.13 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ujo h PRO 60 CO 0.10 1.04 -0.28 0.08 -0.23 0.00 0.00 178.00 178.71 1ujo s VAL 61 N -3.35 5.14 -0.33 1.56 1.01 -1.26 -5.08 120.40 118.08 1ujo s VAL 61 Ca -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1ujo s VAL 61 Cb 0.04 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1ujo s VAL 61 CO 0.81 -0.46 0.05 -0.54 0.00 0.00 0.00 175.10 174.95 1ujo s LYS 62 N -4.19 1.45 -0.19 2.72 1.02 -1.26 -5.02 119.74 114.27 1ujo s LYS 62 Ca 0.38 -1.80 -0.05 0.00 0.02 0.00 0.00 55.97 54.53 1ujo s LYS 62 Cb -0.09 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 1ujo s LYS 62 CO 0.33 -0.93 -0.01 0.54 -0.92 0.00 0.00 175.35 174.36 1ujo s VAL 63 N 0.96 3.92 -2.00 3.17 0.11 -1.26 -4.96 120.40 120.34 1ujo s VAL 63 Ca 0.10 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 58.91 1ujo s VAL 63 Cb -0.19 -2.76 0.25 0.00 -1.53 0.00 0.00 36.38 32.15 1ujo s VAL 63 CO -0.09 0.44 1.13 -0.81 -3.33 0.00 0.00 175.10 172.44 1ujo n PRO 64 N 4.09 0.75 0.00 1.54 -0.04 -1.26 -4.89 135.00 135.19 1ujo n PRO 64 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ujo n PRO 64 Cb 0.52 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1ujo n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ujo n GLU 65 N -0.68 0.00 -2.30 0.54 1.02 -1.26 -4.84 120.64 113.12 1ujo n GLU 65 Ca 0.06 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1ujo n GLU 65 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.42 1ujo n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ujo s ASN 66 N -0.97 6.94 0.23 1.62 4.22 -1.26 -4.95 114.94 120.76 1ujo s ASN 66 Ca 0.00 2.08 -0.30 0.00 -2.14 0.00 0.00 52.86 52.50 1ujo s ASN 66 Cb 0.00 -2.57 -0.09 0.00 1.28 0.00 0.00 41.25 39.87 1ujo s ASN 66 CO 0.00 -0.62 1.10 -2.16 -2.04 0.00 0.00 177.10 173.38 1ujo s PRO 67 N 1.78 4.62 0.00 3.55 0.04 -1.26 -5.02 135.00 138.71 1ujo s PRO 67 Ca 0.61 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1ujo s PRO 67 Cb -0.31 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1ujo s PRO 67 CO 0.27 0.15 0.03 -0.35 0.04 0.00 0.00 177.00 177.14 1ujo n PRO 68 N 1.81 0.00 0.00 0.56 -0.04 -1.26 -5.06 135.00 131.01 1ujo n PRO 68 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ujo n PRO 68 Cb 0.45 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 1ujo n PRO 68 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ujo n SER 69 N -0.12 0.00 -4.20 3.54 7.64 -1.26 -5.15 113.62 114.07 1ujo n SER 69 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1ujo n SER 69 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1ujo n SER 69 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1ujo n MET 70 N 0.00 0.04 -0.06 1.43 2.81 -1.26 -4.85 117.12 115.23 1ujo n MET 70 Ca 0.00 0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 55.89 1ujo n MET 70 Cb 0.00 -1.23 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 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 -0.59 0.16 -0.97 2.03 2.07 -2.01 -2.98 116.25 113.95 1ujo h VAL 71 Ca -0.43 -1.14 0.28 0.00 0.82 0.00 0.00 66.70 66.23 1ujo h VAL 71 Cb 1.36 0.32 -0.18 0.00 -1.52 0.00 0.00 31.29 31.27 1ujo h VAL 71 CO 0.34 0.06 0.10 -0.26 0.02 0.00 0.00 177.57 177.83 1ujo h PHE 72 N -1.00 0.09 0.40 1.57 -1.00 -1.99 0.43 116.94 115.43 1ujo h PHE 72 Ca -0.01 0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 1ujo h PHE 72 Cb 0.23 0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1ujo h PHE 72 CO -0.03 -0.42 -0.19 0.87 -1.61 0.00 0.00 178.31 176.94 1ujo h LYS 73 N 0.03 -0.51 -0.95 1.51 1.79 -1.95 -1.86 116.57 114.63 1ujo h LYS 73 Ca 0.62 0.04 0.20 0.00 -2.18 0.00 0.00 60.65 59.32 1ujo h LYS 73 Cb 1.33 0.12 -0.18 0.00 -1.58 0.00 0.00 32.23 31.92 1ujo h LYS 73 CO -0.88 -0.34 -0.20 1.96 -1.08 0.00 0.00 179.45 178.91 1ujo h GLN 74 N -0.62 0.00 0.24 3.15 1.08 -0.92 0.10 115.11 118.15 1ujo h GLN 74 Ca -0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ujo h GLN 74 Cb 0.41 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 1ujo h GLN 74 CO 0.09 0.00 -0.52 0.52 -0.95 0.00 0.00 178.83 177.97 1ujo h MET 75 N 0.00 -0.80 -0.79 1.46 2.86 -0.18 -2.34 114.93 115.14 1ujo h MET 75 Ca 0.47 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.31 1ujo h MET 75 Cb 0.76 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.46 1ujo h MET 75 CO -0.96 -0.54 -0.32 0.93 1.06 0.00 0.00 176.91 177.08 1ujo h GLU 76 N -0.83 -0.06 -0.96 1.72 5.08 0.04 0.35 114.58 119.92 1ujo h GLU 76 Ca -0.02 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.55 1ujo h GLU 76 Cb 0.80 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 29.88 1ujo h GLU 76 CO -0.22 -0.04 -0.17 0.94 -1.00 0.00 0.00 179.01 178.52 1ujo n GLN 77 N -5.48 -0.08 0.43 2.33 -0.06 -0.68 0.60 117.38 114.43 1ujo n GLN 77 Ca 0.08 1.48 -0.19 0.00 -2.00 0.00 0.00 57.00 56.37 1ujo n GLN 77 Cb 0.39 -2.24 -0.09 0.00 -4.06 0.00 0.00 30.24 24.24 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 0.19 -0.72 1.69 2.07 -0.19 -1.65 116.25 117.65 1ujo h VAL 78 Ca 0.49 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 68.12 1ujo h VAL 78 Cb 0.83 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 30.67 1ujo h VAL 78 CO -0.96 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 176.52 1ujo h ALA 79 N -0.92 0.58 -0.93 1.67 0.00 0.25 1.52 119.26 121.44 1ujo h ALA 79 Ca -0.11 0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1ujo h ALA 79 Cb 0.83 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1ujo h ALA 79 CO 0.18 -0.42 0.54 1.96 0.00 0.00 0.00 179.25 181.51 1ujo h GLN 80 N 0.04 0.76 0.02 0.00 4.20 0.42 0.55 115.11 121.11 1ujo h GLN 80 Ca 0.36 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.90 1ujo h GLN 80 Cb 0.59 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1ujo h GLN 80 CO -0.70 0.50 -0.51 0.35 -0.67 0.00 0.00 178.83 177.81 1ujo h PHE 81 N 0.79 0.47 -0.24 2.96 3.57 0.14 -2.53 116.94 122.09 1ujo h PHE 81 Ca 0.49 -0.27 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1ujo h PHE 81 Cb 0.63 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1ujo h PHE 81 CO -0.04 1.11 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.68 1ujo h LEU 82 N -0.31 -1.28 -1.08 0.59 3.38 0.25 1.51 115.31 118.39 1ujo h LEU 82 Ca -0.07 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1ujo h LEU 82 Cb 1.27 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 42.51 1ujo h LEU 82 CO 0.10 -0.39 0.62 0.11 0.09 0.00 0.00 178.44 178.97 1ujo h LYS 83 N -0.40 1.16 -0.72 1.13 1.79 -1.03 -0.78 116.57 117.72 1ujo h LYS 83 Ca 0.11 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1ujo h LYS 83 Cb 0.59 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1ujo h LYS 83 CO -0.46 0.77 0.31 0.00 -1.08 0.00 0.00 179.45 178.98 1ujo h ALA 84 N 1.45 0.94 -0.95 3.86 0.00 -0.26 -1.89 119.26 122.40 1ujo h ALA 84 Ca 0.38 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1ujo h ALA 84 Cb 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 1ujo h ALA 84 CO -0.12 0.54 0.62 0.00 0.00 0.00 0.00 179.25 180.29 1ujo h ALA 85 N 1.15 1.43 -0.19 0.00 0.00 0.34 -1.84 119.26 120.15 1ujo h ALA 85 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ujo h ALA 85 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ujo h ALA 85 CO -0.02 0.46 0.11 1.49 0.00 0.00 0.00 179.25 181.28 1ujo h GLU 86 N 1.15 0.26 -1.01 0.00 4.81 -0.56 -2.15 114.58 117.08 1ujo h GLU 86 Ca 0.39 -0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.82 1ujo h GLU 86 Cb 0.09 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.31 1ujo h GLU 86 CO -0.13 0.25 0.61 -0.44 -0.73 0.00 0.00 179.01 178.57 1ujo h ASP 87 N 0.21 0.66 -0.19 1.04 5.19 -0.71 0.63 116.42 123.25 1ujo h ASP 87 Ca 0.07 0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.64 1ujo h ASP 87 Cb 0.06 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.52 1ujo h ASP 87 CO -0.01 0.15 -0.17 0.22 -3.12 0.00 0.00 179.24 176.32 1ujo h TYR 88 N 0.60 -0.42 0.00 4.55 3.20 -1.00 -3.45 116.97 120.44 1ujo h TYR 88 Ca 0.61 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1ujo h TYR 88 Cb 1.18 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1ujo h TYR 88 CO -0.00 -0.24 0.00 0.41 -1.64 0.00 0.00 178.16 176.69 1ujo n GLY 89 N -1.32 0.00 3.91 1.82 0.00 0.21 -5.09 105.19 104.71 1ujo n GLY 89 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 5.38 1.08 1.61 1.01 -1.17 -5.01 120.40 123.31 1ujo s VAL 90 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1ujo s VAL 90 Cb 0.00 -3.59 0.26 0.00 0.00 0.00 0.00 36.38 33.04 1ujo s VAL 90 CO 0.00 0.22 1.27 0.27 0.00 0.00 0.00 175.10 176.86 1ujo s ILE 91 N -1.44 1.83 -2.34 2.22 -4.36 -1.26 -4.79 121.20 111.06 1ujo s ILE 91 Ca 0.32 0.00 0.23 0.00 -0.26 0.00 0.00 60.65 60.94 1ujo s ILE 91 Cb -0.13 -2.83 0.48 0.00 1.25 0.00 0.00 42.46 41.24 1ujo s ILE 91 CO 0.23 0.00 1.44 0.29 0.24 0.00 0.00 174.94 177.14 1ujo n LYS 92 N -4.22 2.57 0.00 0.37 4.01 -1.26 -3.91 118.16 115.72 1ujo n LYS 92 Ca 0.16 -2.40 0.06 0.00 -0.51 0.00 0.00 58.31 55.62 1ujo n LYS 92 Cb 0.59 -1.53 0.04 0.00 -0.51 0.00 0.00 35.03 33.62 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 1.55 0.00 0.07 -0.18 -2.24 -1.26 -4.39 114.28 107.82 1ujo n THR 93 Ca 0.21 -0.48 0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1ujo n THR 93 Cb 0.61 1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.47 2.38 -4.76 3.42 9.92 -1.25 -5.00 116.55 121.73 1ujo n ASP 94 Ca 0.06 -0.12 -0.39 0.00 -0.53 0.00 0.00 54.79 53.81 1ujo n ASP 94 Cb 0.27 1.37 -0.04 0.00 -0.64 0.00 0.00 41.12 42.08 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 -2.55 4.54 0.53 -1.24 -1.94 -1.25 -1.57 119.30 115.81 1ujo s MET 95 Ca -0.02 1.67 0.06 0.00 -1.71 0.00 0.00 55.69 55.69 1ujo s MET 95 Cb 0.06 -3.02 0.04 0.00 2.01 0.00 0.00 34.83 33.92 1ujo s MET 95 CO 0.41 0.16 0.45 -0.59 -0.01 0.00 0.00 175.02 175.43 1ujo s PHE 96 N -1.31 1.75 -0.11 -0.03 -0.12 -1.26 -4.97 117.98 111.92 1ujo s PHE 96 Ca 0.48 -0.78 -0.09 0.00 -0.05 0.00 0.00 56.93 56.49 1ujo s PHE 96 Cb -0.28 -1.98 -0.04 0.00 -0.63 0.00 0.00 43.02 40.08 1ujo s PHE 96 CO 0.36 -0.51 0.18 -0.65 -0.05 0.00 0.00 175.22 174.55 1ujo s GLN 97 N -4.30 3.60 0.46 1.99 -0.21 -1.26 -4.96 119.66 114.98 1ujo s GLN 97 Ca 0.39 -0.06 0.33 0.00 0.02 0.00 0.00 55.36 56.04 1ujo s GLN 97 Cb -0.03 -3.22 1.46 0.00 1.00 0.00 0.00 33.01 32.22 1ujo s GLN 97 CO 0.24 0.71 1.64 1.15 -2.12 0.00 0.00 175.29 176.91 1ujo h THR 98 N 4.03 0.16 -0.07 -0.19 2.02 -1.99 1.49 112.91 118.36 1ujo h THR 98 Ca -0.53 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 1ujo h THR 98 Cb 1.22 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1ujo h THR 98 CO 0.61 0.02 -0.55 -0.37 0.37 0.00 0.00 175.52 175.60 1ujo h VAL 99 N 0.09 1.38 -0.45 3.16 -1.51 -1.95 0.68 116.25 117.65 1ujo h VAL 99 Ca 0.80 -1.92 0.13 0.00 -1.23 0.00 0.00 66.70 64.49 1ujo h VAL 99 Cb 2.64 2.33 -0.02 0.00 -2.13 0.00 0.00 31.29 34.12 1ujo h VAL 99 CO -0.32 0.57 0.67 0.44 -1.23 0.00 0.00 177.57 177.69 1ujo h ASP 100 N 0.05 0.00 0.00 4.19 3.32 0.18 0.51 116.42 124.67 1ujo h ASP 100 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ujo h ASP 100 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1ujo h ASP 100 CO 0.11 0.00 0.00 -0.11 -1.72 0.00 0.00 179.24 177.52 1ujo n LEU 101 N -3.33 0.00 -0.36 1.55 7.94 -0.87 -2.47 117.00 119.46 1ujo n LEU 101 Ca 0.09 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.03 1ujo n LEU 101 Cb 0.84 -0.28 0.11 0.00 0.53 0.00 0.00 43.42 44.62 1ujo n LEU 101 CO 0.21 -0.43 0.64 0.22 -1.11 0.00 0.00 177.39 176.92 1ujo h TYR 102 N 0.00 -0.68 0.00 1.96 3.20 0.46 0.94 116.97 122.85 1ujo h TYR 102 Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ujo h TYR 102 Cb 0.00 0.45 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1ujo h TYR 102 CO 0.00 -0.42 -0.76 0.93 -1.64 0.00 0.00 178.16 176.27 1ujo h GLU 103 N -0.00 0.00 -2.52 1.82 5.08 -0.25 -3.48 114.58 115.22 1ujo h GLU 103 Ca 0.44 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.57 1ujo h GLU 103 Cb 0.69 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.97 1ujo h GLU 103 CO -1.01 0.00 -0.33 0.41 -1.00 0.00 0.00 179.01 177.08 1ujo n GLY 104 N 1.21 -0.01 0.14 -3.84 0.00 0.33 -4.93 105.19 98.09 1ujo n GLY 104 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.64 0.37 -3.13 1.61 1.57 -1.34 -3.40 116.57 111.60 1ujo h LYS 105 Ca -0.29 -0.06 -0.52 0.00 -1.87 0.00 0.00 60.65 57.90 1ujo h LYS 105 Cb 1.20 -0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.05 1ujo h LYS 105 CO 0.32 0.40 -0.77 -0.51 -0.57 0.00 0.00 179.45 178.32 1ujo s ASP 106 N -5.65 3.25 -0.02 0.86 1.11 -1.05 -5.00 116.67 110.18 1ujo s ASP 106 Ca -0.13 -1.12 -0.20 0.00 0.18 0.00 0.00 52.55 51.27 1ujo s ASP 106 Cb 0.08 -0.47 -0.29 0.00 1.07 0.00 0.00 42.92 43.31 1ujo s ASP 106 CO 0.72 -0.39 0.98 0.24 1.18 0.00 0.00 175.17 177.90 1ujo h MET 107 N 8.32 0.37 -1.27 8.23 2.86 -1.78 -3.19 114.93 128.47 1ujo h MET 107 Ca -0.17 -0.53 0.44 0.00 -2.06 0.00 0.00 59.70 57.38 1ujo h MET 107 Cb 1.06 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.76 1ujo h MET 107 CO 0.39 1.22 0.80 0.00 1.06 0.00 0.00 176.91 180.38 1ujo h ALA 108 N 0.18 2.63 0.13 6.32 0.00 -1.94 0.84 119.26 127.42 1ujo h ALA 108 Ca -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ujo h ALA 108 Cb 1.58 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1ujo h ALA 108 CO 0.15 -1.31 -0.06 0.00 0.00 0.00 0.00 179.25 178.03 1ujo h ALA 109 N 1.68 -0.18 -1.92 0.00 0.00 -1.94 -2.24 119.26 114.66 1ujo h ALA 109 Ca 0.84 -0.24 0.56 0.00 0.00 0.00 0.00 54.91 56.07 1ujo h ALA 109 Cb 2.56 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 20.34 1ujo h ALA 109 CO -0.50 -0.29 1.40 0.28 0.00 0.00 0.00 179.25 180.13 1ujo h VAL 110 N -0.80 0.02 0.00 0.00 2.07 0.67 0.89 116.25 119.11 1ujo h VAL 110 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1ujo h VAL 110 Cb 0.54 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ujo h VAL 110 CO 0.03 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.95 1ujo h GLN 111 N 0.00 0.00 -1.45 1.57 4.20 -1.16 -3.29 115.11 114.97 1ujo h GLN 111 Ca 0.91 0.00 0.47 0.00 0.06 0.00 0.00 58.65 60.09 1ujo h GLN 111 Cb 3.70 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 31.37 1ujo h GLN 111 CO -0.01 0.76 0.98 -2.13 -0.67 0.00 0.00 178.83 177.76 1ujo n ARG 112 N -4.61 -0.02 0.07 1.46 0.63 0.30 0.14 116.66 114.63 1ujo n ARG 112 Ca -0.12 1.10 -0.03 0.00 -0.92 0.00 0.00 57.85 57.88 1ujo n ARG 112 Cb 0.41 -2.28 -0.01 0.00 0.45 0.00 0.00 32.46 31.03 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 0.00 -0.69 5.15 2.02 -0.63 -3.01 112.91 115.75 1ujo h THR 113 Ca 0.83 -0.11 0.15 0.00 0.77 0.00 0.00 66.41 68.05 1ujo h THR 113 Cb 2.90 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 69.19 1ujo h THR 113 CO -0.29 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.54 1ujo h LEU 114 N -0.30 -0.31 -1.74 2.58 3.38 -0.75 1.05 115.31 119.22 1ujo h LEU 114 Ca -0.02 0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.34 1ujo h LEU 114 Cb 0.15 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1ujo h LEU 114 CO 0.03 -0.14 0.74 0.24 0.09 0.00 0.00 178.44 179.40 1ujo h MET 115 N 0.11 0.00 0.00 1.13 2.86 -0.37 0.19 114.93 118.86 1ujo h MET 115 Ca 0.37 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.95 1ujo h MET 115 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1ujo h MET 115 CO -0.60 0.00 -0.78 0.00 1.06 0.00 0.00 176.91 176.59 1ujo n ALA 116 N -2.40 0.59 -0.35 6.32 0.00 0.34 -3.29 120.51 121.72 1ujo n ALA 116 Ca 0.15 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1ujo n ALA 116 Cb 0.99 -0.07 0.15 0.00 0.00 0.00 0.00 19.45 20.52 1ujo n ALA 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ujo h LEU 117 N -1.00 -0.86 0.22 0.00 5.85 0.16 0.43 115.31 120.11 1ujo h LEU 117 Ca -0.09 0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1ujo h LEU 117 Cb 0.75 0.59 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1ujo h LEU 117 CO -0.05 -0.32 -0.10 1.23 -0.34 0.00 0.00 178.44 178.85 1ujo h GLY 118 N 0.00 -0.31 -0.96 3.75 0.00 -0.85 -2.10 103.07 102.59 1ujo h GLY 118 Ca 0.48 0.11 0.30 0.00 0.00 0.00 0.00 47.33 48.22 1ujo h GLY 118 CO -0.99 -0.11 0.13 -1.26 0.00 0.00 0.00 176.54 174.31 1ujo n SER 119 N -2.82 -0.01 -0.06 0.19 2.88 -0.54 0.19 113.62 113.45 1ujo n SER 119 Ca -0.04 1.63 -0.07 0.00 -1.33 0.00 0.00 58.87 59.06 1ujo n SER 119 Cb 0.12 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 62.92 1ujo n SER 119 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ujo h LEU 120 N 0.00 -0.26 -1.84 2.46 3.38 -0.06 1.58 115.31 120.58 1ujo h LEU 120 Ca 0.64 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.66 1ujo h LEU 120 Cb 1.42 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1ujo h LEU 120 CO -0.87 -0.09 -0.11 0.00 0.09 0.00 0.00 178.44 177.46 1ujo h ALA 121 N 1.24 1.18 0.00 1.53 0.00 0.28 -2.15 119.26 121.34 1ujo h ALA 121 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ujo h ALA 121 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ujo h ALA 121 CO -0.27 0.14 -0.00 0.28 0.00 0.00 0.00 179.25 179.39 1ujo h VAL 122 N 0.00 0.00 -0.05 0.00 2.07 0.32 -2.69 116.25 115.89 1ujo h VAL 122 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ujo h VAL 122 Cb 0.39 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1ujo h VAL 122 CO 0.01 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.31 1ujo h THR 123 N -0.26 0.00 -0.89 2.57 2.02 0.21 0.30 112.91 116.86 1ujo h THR 123 Ca -0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 1ujo h THR 123 Cb 0.00 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.28 1ujo h THR 123 CO 0.00 0.00 0.33 0.11 0.37 0.00 0.00 175.52 176.33 1ujo h LYS 124 N -0.01 0.30 -6.06 6.66 1.57 -1.59 -3.46 116.57 113.98 1ujo h LYS 124 Ca 0.01 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.49 1ujo h LYS 124 Cb 0.03 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ujo h LYS 124 CO -0.05 0.20 -0.63 0.09 -0.57 0.00 0.00 179.45 178.49 1ujo n ASN 125 N -5.13 -6.16 0.00 0.86 3.02 0.11 -4.84 115.26 103.11 1ujo n ASN 125 Ca 0.22 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1ujo n ASN 125 Cb 0.69 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1ujo n ASN 125 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ujo n ASP 126 N -2.31 0.00 -2.70 6.41 8.00 -1.26 -5.07 116.55 119.63 1ujo n ASP 126 Ca -0.14 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.22 1ujo n ASP 126 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.71 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ujo n GLY 127 N 0.00 2.82 3.82 0.44 0.00 -1.26 -4.93 105.19 106.07 1ujo n GLY 127 Ca 0.00 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1ujo n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujo n ASN 128 N -0.11 -5.30 -4.57 1.61 3.02 -1.26 -4.68 115.26 103.96 1ujo n ASN 128 Ca 0.18 -0.70 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 1ujo n ASN 128 Cb 0.75 -4.25 -0.09 0.00 -0.61 0.00 0.00 39.78 35.59 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ujo s TYR 129 N -3.31 3.21 -0.05 3.10 5.04 -1.26 -4.43 117.35 119.65 1ujo s TYR 129 Ca 0.64 0.20 -0.03 0.00 -2.44 0.00 0.00 57.07 55.44 1ujo s TYR 129 Cb -0.31 -2.75 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 1ujo s TYR 129 CO 0.80 -0.42 -0.06 0.00 -1.34 0.00 0.00 175.55 174.53 1ujo h ARG 130 N 8.36 0.00 -5.06 4.97 2.47 -1.93 -3.48 114.38 119.71 1ujo h ARG 130 Ca -0.29 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 57.94 1ujo h ARG 130 Cb 1.14 0.00 0.18 0.00 -1.65 0.00 0.00 29.97 29.64 1ujo h ARG 130 CO 0.71 0.00 -1.32 0.41 0.56 0.00 0.00 179.97 180.34 1ujo n GLY 131 N 1.71 -3.41 3.77 0.04 0.00 -1.26 -4.83 105.19 101.21 1ujo n GLY 131 Ca -0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.84 5.99 0.15 1.61 1.11 -1.26 -4.94 116.67 118.48 1ujo s ASP 132 Ca 0.40 2.40 -0.03 0.00 0.18 0.00 0.00 52.55 55.50 1ujo s ASP 132 Cb -0.27 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.08 1ujo s ASP 132 CO 0.64 -1.05 1.36 1.55 1.18 0.00 0.00 175.17 178.85 1ujo h PRO 133 N 1.93 0.40 -0.10 8.23 0.13 -1.93 -2.99 132.00 137.67 1ujo h PRO 133 Ca -0.50 -0.38 0.03 0.00 -0.87 0.00 0.00 66.00 64.28 1ujo h PRO 133 Cb 1.26 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ujo h PRO 133 CO 0.60 1.04 0.32 -0.91 -0.23 0.00 0.00 178.00 178.82 1ujo h ASN 134 N 0.24 0.00 -0.70 1.44 2.35 -1.98 0.33 115.58 117.27 1ujo h ASN 134 Ca -0.06 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1ujo h ASN 134 Cb 1.46 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.78 1ujo h ASN 134 CO 0.15 0.00 0.41 -0.50 -1.65 0.00 0.00 177.43 175.83 1ujo h TRP 135 N 0.00 0.75 -2.36 1.19 6.55 -1.91 -3.31 115.95 116.86 1ujo h TRP 135 Ca 0.05 0.02 -0.59 0.00 0.95 0.00 0.00 58.89 59.33 1ujo h TRP 135 Cb 0.70 -0.24 -0.39 0.00 -0.86 0.00 0.00 29.16 28.37 1ujo h TRP 135 CO 0.00 0.38 -0.94 1.19 -1.05 0.00 0.00 178.44 178.03 1ujo n PHE 136 N -4.73 -0.04 0.00 0.49 3.01 0.12 -5.01 117.46 111.29 1ujo n PHE 136 Ca 0.09 -3.53 0.00 0.00 1.01 0.00 0.00 57.45 55.01 1ujo n PHE 136 Cb 0.15 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1ujo n PHE 136 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 1ujo n MET 137 N 2.29 0.00 -4.36 -1.08 1.56 -1.11 -4.37 117.12 110.05 1ujo n MET 137 Ca 0.27 0.17 -0.26 0.00 -0.27 0.00 0.00 57.70 57.61 1ujo n MET 137 Cb 0.47 -0.99 -0.10 0.00 2.15 0.00 0.00 33.22 34.75 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 -1.20 1.87 -0.26 2.12 3.01 -1.26 -4.80 119.74 119.22 1ujo s LYS 138 Ca 0.00 -1.43 -0.13 0.00 -1.01 0.00 0.00 55.97 53.40 1ujo s LYS 138 Cb 0.00 -2.01 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 1ujo s LYS 138 CO 0.00 0.40 0.26 0.45 0.51 0.00 0.00 175.35 176.97 1ujo s SER 139 N -2.98 6.17 0.17 2.83 0.15 -1.26 -4.93 113.70 113.84 1ujo s SER 139 Ca 0.25 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1ujo s SER 139 Cb -0.08 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1ujo s SER 139 CO 0.14 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1ujo n GLY 140 N 4.59 -3.06 3.68 9.45 0.00 -1.26 -4.79 105.19 113.80 1ujo n GLY 140 Ca -0.12 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.09 4.33 0.06 1.61 0.04 -1.26 -4.54 135.00 131.15 1ujo s PRO 141 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ujo s PRO 141 Cb 0.00 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1ujo s PRO 141 CO 0.00 -0.49 0.00 0.43 0.04 0.00 0.00 177.00 176.98 1ujo n SER 142 N 5.40 -8.75 -3.15 6.66 7.64 -1.26 -5.06 113.62 115.10 1ujo n SER 142 Ca 0.12 1.73 0.05 0.00 1.01 0.00 0.00 58.87 61.77 1ujo n SER 142 Cb 0.46 -4.93 -0.01 0.00 -1.01 0.00 0.00 64.21 58.71 1ujo n SER 142 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujo s SER 143 N -0.54 -0.92 0.00 6.43 0.15 -1.26 -5.12 113.70 112.43 1ujo s SER 143 Ca 0.00 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1ujo s SER 143 Cb 0.00 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1ujo s SER 143 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88