#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 -1.12 -4.45 1.61 3.41 -1.26 -4.83 113.62 106.98 1ujo n SER 2 Ca 0.00 0.38 -0.29 0.00 -0.26 0.00 0.00 58.87 58.70 1ujo n SER 2 Cb 0.00 1.21 0.19 0.00 -0.26 0.00 0.00 64.21 65.34 1ujo n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ujo s SER 3 N -3.68 2.36 0.08 4.04 1.04 -1.26 -4.26 113.70 112.02 1ujo s SER 3 Ca 0.00 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1ujo s SER 3 Cb 0.00 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.68 1ujo s SER 3 CO 0.00 -3.27 0.00 0.61 0.98 0.00 0.00 173.24 171.56 1ujo n GLY 4 N -1.44 -3.41 1.17 7.32 0.00 -1.26 -5.05 105.19 102.52 1ujo n GLY 4 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.71 -6.65 -3.29 1.61 7.64 -1.26 -4.88 113.62 106.08 1ujo n SER 5 Ca 0.00 0.88 -0.21 0.00 1.01 0.00 0.00 58.87 60.54 1ujo n SER 5 Cb 0.00 -2.99 0.21 0.00 -1.01 0.00 0.00 64.21 60.42 1ujo n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ujo n SER 6 N -0.27 -3.50 0.00 6.43 3.41 -1.26 -4.42 113.62 114.02 1ujo n SER 6 Ca 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1ujo n SER 6 Cb 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujo n GLY 7 N -3.50 1.23 4.02 5.00 0.00 -1.26 -4.90 105.19 105.78 1ujo n GLY 7 Ca 0.10 0.60 0.10 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.49 0.27 1.61 -0.58 -1.26 -2.45 120.64 116.74 1ujo n GLU 8 Ca 0.00 0.98 0.16 0.00 -0.42 0.00 0.00 57.16 57.88 1ujo n GLU 8 Cb 0.00 -1.81 0.69 0.00 -0.57 0.00 0.00 31.44 29.74 1ujo n GLU 8 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ujo h GLU 9 N 0.00 0.00 -0.41 3.49 4.81 -1.88 -2.95 114.58 117.63 1ujo h GLU 9 Ca 0.02 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1ujo h GLU 9 Cb 0.67 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1ujo h GLU 9 CO 0.01 0.04 0.09 1.37 -0.73 0.00 0.00 179.01 179.79 1ujo h LEU 10 N 0.00 0.04 -0.73 1.64 8.10 -1.74 -1.83 115.31 120.79 1ujo h LEU 10 Ca -0.00 0.07 0.14 0.00 0.11 0.00 0.00 57.88 58.20 1ujo h LEU 10 Cb 0.51 0.08 -0.14 0.00 -0.44 0.00 0.00 40.66 40.68 1ujo h LEU 10 CO 0.00 0.05 -0.24 -0.08 -4.11 0.00 0.00 178.44 174.07 1ujo h GLU 11 N 0.23 -0.04 -1.00 0.17 4.81 -1.30 0.39 114.58 117.84 1ujo h GLU 11 Ca 0.20 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.74 1ujo h GLU 11 Cb 0.23 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.44 1ujo h GLU 11 CO -0.25 -0.03 0.15 0.93 -0.73 0.00 0.00 179.01 179.08 1ujo h GLU 12 N -0.05 0.00 0.12 1.92 4.39 -1.49 0.67 114.58 120.15 1ujo h GLU 12 Ca 0.33 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1ujo h GLU 12 Cb 0.56 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1ujo h GLU 12 CO -0.77 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.02 1ujo h ARG 13 N 0.00 -0.16 -0.73 2.33 3.08 -0.28 -0.33 114.38 118.30 1ujo h ARG 13 Ca 0.66 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.83 1ujo h ARG 13 Cb 1.49 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.46 1ujo h ARG 13 CO -0.89 0.06 -0.45 -0.07 -1.07 0.00 0.00 179.97 177.55 1ujo h LEU 14 N -0.37 -1.59 -0.17 3.04 3.38 0.72 0.31 115.31 120.64 1ujo h LEU 14 Ca -0.02 0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1ujo h LEU 14 Cb 0.30 0.74 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1ujo h LEU 14 CO 0.03 -0.31 0.06 0.58 0.09 0.00 0.00 178.44 178.89 1ujo h VAL 15 N -0.14 0.96 -0.69 1.22 2.07 -1.17 0.12 116.25 118.61 1ujo h VAL 15 Ca 0.21 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 67.89 1ujo h VAL 15 Cb 0.55 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1ujo h VAL 15 CO -0.79 0.03 0.76 -0.33 0.02 0.00 0.00 177.57 177.26 1ujo h GLU 16 N 0.14 0.00 0.00 1.57 4.39 0.13 0.83 114.58 121.64 1ujo h GLU 16 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ujo h GLU 16 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1ujo h GLU 16 CO -0.08 0.00 -0.21 2.35 -1.16 0.00 0.00 179.01 179.91 1ujo h TRP 17 N 0.00 0.00 -0.45 4.33 7.01 0.96 -3.20 115.95 124.60 1ujo h TRP 17 Ca 0.33 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.46 1ujo h TRP 17 Cb 1.85 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.89 1ujo h TRP 17 CO 0.00 0.00 0.68 0.82 -2.79 0.00 0.00 178.44 177.15 1ujo h ILE 18 N -0.84 0.16 0.23 2.65 2.04 0.41 0.55 117.51 122.71 1ujo h ILE 18 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1ujo h ILE 18 Cb 0.21 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1ujo h ILE 18 CO 0.00 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.62 1ujo h VAL 19 N 0.00 0.80 -0.47 1.67 2.07 0.50 0.18 116.25 121.00 1ujo h VAL 19 Ca 0.21 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1ujo h VAL 19 Cb 1.56 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1ujo h VAL 19 CO -0.00 0.16 -0.12 -0.37 0.02 0.00 0.00 177.57 177.26 1ujo h VAL 20 N -0.76 1.26 0.00 2.57 -1.51 -0.16 1.70 116.25 119.35 1ujo h VAL 20 Ca -0.03 -1.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 1ujo h VAL 20 Cb 0.50 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1ujo h VAL 20 CO 0.05 0.42 0.00 0.00 -1.23 0.00 0.00 177.57 176.82 1ujo n GLN 21 N -4.15 0.00 0.14 5.19 1.13 0.14 -3.97 117.38 115.87 1ujo n GLN 21 Ca 0.01 0.46 -0.14 0.00 -1.94 0.00 0.00 57.00 55.39 1ujo n GLN 21 Cb 0.39 -1.39 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 1ujo n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujo n GLY 23 N -0.57 0.94 2.30 0.00 0.00 0.58 -4.78 105.19 103.65 1ujo n GLY 23 Ca -0.09 -2.30 -0.19 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.89 2.15 0.00 1.61 -0.04 -1.25 -3.35 135.00 133.23 1ujo n PRO 24 Ca 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1ujo n PRO 24 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.28 1.70 0.09 3.54 2.03 -1.26 -4.74 116.55 121.18 1ujo n ASP 25 Ca 0.46 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.73 1ujo n ASP 25 Cb 0.43 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.99 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 1.36 0.00 5.18 -1.51 -1.91 -3.49 116.25 115.88 1ujo h VAL 26 Ca 0.00 -1.79 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 1ujo h VAL 26 Cb 0.72 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 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 0.08 0.42 2.89 5.19 0.00 -1.26 -4.93 105.19 107.58 1ujo n GLY 27 Ca -0.02 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 0.08 0.64 1.61 6.06 -1.26 -4.87 118.95 121.21 1ujo s ARG 28 Ca 0.00 -0.10 -0.13 0.00 -2.50 0.00 0.00 55.73 53.00 1ujo s ARG 28 Cb 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 34.95 34.96 1ujo s ARG 28 CO 0.00 0.01 1.05 -1.25 -2.50 0.00 0.00 175.30 172.61 1ujo s PRO 29 N -0.20 3.16 1.04 5.12 0.04 -1.26 -5.05 135.00 137.86 1ujo s PRO 29 Ca -0.02 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1ujo s PRO 29 Cb -0.01 -2.02 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1ujo s PRO 29 CO -0.00 -0.92 1.14 -0.51 0.04 0.00 0.00 177.00 176.74 1ujo s ASP 30 N -3.32 2.34 0.75 6.66 1.01 -1.26 -4.90 116.67 117.95 1ujo s ASP 30 Ca 0.60 0.82 -0.17 0.00 0.71 0.00 0.00 52.55 54.51 1ujo s ASP 30 Cb -0.15 -1.24 -0.15 0.00 1.01 0.00 0.00 42.92 42.40 1ujo s ASP 30 CO 0.46 -3.27 -0.49 0.54 0.21 0.00 0.00 175.17 172.62 1ujo n ARG 31 N -4.21 0.00 -2.08 8.23 1.74 -1.26 -4.22 116.66 114.86 1ujo n ARG 31 Ca 0.09 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 1ujo n ARG 31 Cb 0.59 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 1ujo n ARG 31 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ujo s GLY 32 N -0.97 1.02 0.06 -0.13 0.00 -1.26 -4.25 107.32 101.79 1ujo s GLY 32 Ca 0.46 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1ujo s GLY 32 CO 0.73 3.10 0.00 -2.13 0.00 0.00 0.00 173.10 174.80 1ujo n ARG 33 N 8.05 0.00 0.00 2.90 3.00 -1.26 -4.99 116.66 124.36 1ujo n ARG 33 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1ujo n ARG 33 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1ujo n ARG 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ujo n LEU 34 N -2.57 0.00 -0.09 6.15 -0.00 -1.26 -4.93 117.00 114.29 1ujo n LEU 34 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1ujo n LEU 34 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 43.53 1ujo n LEU 34 CO 0.00 -0.31 0.34 0.61 -0.00 0.00 0.00 177.39 178.04 1ujo n GLY 35 N 0.15 -2.07 0.35 1.47 0.00 -1.26 0.34 105.19 104.18 1ujo n GLY 35 Ca 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.40 -0.07 -0.31 1.61 7.35 -1.26 -0.16 117.46 121.23 1ujo n PHE 36 Ca 0.00 1.12 -0.11 0.00 -0.76 0.00 0.00 57.45 57.70 1ujo n PHE 36 Cb 0.06 -0.78 -0.09 0.00 0.35 0.00 0.00 39.48 39.02 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 -0.14 -0.48 -4.13 -0.00 -0.47 0.37 115.11 110.26 1ujo h GLN 37 Ca 0.28 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.97 1ujo h GLN 37 Cb 0.50 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.98 1ujo h GLN 37 CO -0.89 -0.10 0.26 0.28 0.00 0.00 0.00 178.83 178.39 1ujo h VAL 38 N -0.15 1.00 -1.08 2.39 2.07 -0.16 0.47 116.25 120.79 1ujo h VAL 38 Ca 0.14 -0.18 0.30 0.00 0.82 0.00 0.00 66.70 67.78 1ujo h VAL 38 Cb 0.49 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.59 1ujo h VAL 38 CO -0.81 0.09 0.68 -0.25 0.02 0.00 0.00 177.57 177.30 1ujo h TRP 39 N 0.52 0.71 -1.20 1.57 7.01 0.30 0.75 115.95 125.60 1ujo h TRP 39 Ca 0.20 0.03 -0.61 0.00 2.11 0.00 0.00 58.89 60.61 1ujo h TRP 39 Cb 0.07 -0.20 -0.38 0.00 -2.10 0.00 0.00 29.16 26.55 1ujo h TRP 39 CO -0.09 -0.01 -0.27 1.28 -2.79 0.00 0.00 178.44 176.56 1ujo n LEU 40 N -4.72 5.65 -0.05 0.65 4.77 0.68 -4.62 117.00 119.36 1ujo n LEU 40 Ca 0.28 -4.84 -0.11 0.00 -0.03 0.00 0.00 56.01 51.31 1ujo n LEU 40 Cb 0.97 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1ujo n LEU 40 CO 0.22 2.00 -0.75 1.17 -1.33 0.00 0.00 177.39 178.70 1ujo n LYS 41 N -0.65 0.31 -0.28 3.23 4.81 0.26 -4.63 118.16 121.21 1ujo n LYS 41 Ca 0.47 0.13 0.05 0.00 -0.87 0.00 0.00 58.31 58.09 1ujo n LYS 41 Cb 0.73 -1.02 0.15 0.00 0.02 0.00 0.00 35.03 34.90 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 -0.54 -0.54 0.00 3.14 4.21 -1.82 -3.45 115.58 116.59 1ujo h ASN 42 Ca -0.22 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ujo h ASN 42 Cb 1.00 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 38.63 1ujo h ASN 42 CO -0.14 -0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.38 1ujo n GLY 43 N -1.47 2.48 0.22 2.83 0.00 -1.26 -4.43 105.19 103.55 1ujo n GLY 43 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.47 0.06 1.61 2.07 -1.92 1.35 116.25 119.89 1ujo h VAL 44 Ca 0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ujo h VAL 44 Cb 0.00 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1ujo h VAL 44 CO 0.00 0.01 -0.13 0.40 0.02 0.00 0.00 177.57 177.87 1ujo h ILE 45 N 0.05 0.69 0.06 4.57 2.04 -1.91 0.64 117.51 123.65 1ujo h ILE 45 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.17 1ujo h ILE 45 Cb 0.46 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1ujo h ILE 45 CO -0.55 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.38 1ujo h LEU 46 N -0.26 -0.43 -1.05 1.44 3.38 -1.35 -0.08 115.31 116.96 1ujo h LEU 46 Ca 0.03 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1ujo h LEU 46 Cb 0.28 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1ujo h LEU 46 CO -0.08 -0.22 0.63 0.28 0.09 0.00 0.00 178.44 179.13 1ujo h SER 47 N -0.28 0.92 -0.95 -0.43 0.02 0.20 0.80 113.55 113.84 1ujo h SER 47 Ca 0.03 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ujo h SER 47 Cb 0.32 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1ujo h SER 47 CO -0.10 0.52 0.57 0.11 -1.14 0.00 0.00 176.83 176.78 1ujo h LYS 48 N 1.00 1.29 0.00 3.45 1.57 0.13 -0.52 116.57 123.50 1ujo h LYS 48 Ca 0.47 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1ujo h LYS 48 Cb 0.42 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ujo h LYS 48 CO -0.23 0.90 0.00 -0.11 -0.57 0.00 0.00 179.45 179.44 1ujo n LEU 49 N -4.35 0.00 -0.35 2.94 7.94 0.22 0.11 117.00 123.50 1ujo n LEU 49 Ca 0.11 0.80 0.11 0.00 -1.11 0.00 0.00 56.01 55.91 1ujo n LEU 49 Cb 0.06 -0.30 0.22 0.00 0.53 0.00 0.00 43.42 43.93 1ujo n LEU 49 CO 0.38 -0.30 0.73 0.55 -1.11 0.00 0.00 177.39 177.64 1ujo n VAL 50 N -1.47 -0.42 -0.08 1.96 3.14 -0.86 0.19 118.33 120.79 1ujo n VAL 50 Ca 0.00 2.23 -0.08 0.00 -2.96 0.00 0.00 64.34 63.53 1ujo n VAL 50 Cb 0.00 -3.17 -0.01 0.00 -1.06 0.00 0.00 33.84 29.60 1ujo n VAL 50 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1ujo h ASN 51 N 0.00 0.14 -0.72 6.55 2.35 -0.92 -1.88 115.58 121.10 1ujo h ASN 51 Ca 0.54 0.03 0.16 0.00 -0.55 0.00 0.00 56.30 56.48 1ujo h ASN 51 Cb 1.00 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 39.26 1ujo h ASN 51 CO -0.98 0.11 0.07 0.77 -1.65 0.00 0.00 177.43 175.76 1ujo h SER 52 N 0.25 -0.19 0.00 5.81 4.64 0.94 -3.06 113.55 121.95 1ujo h SER 52 Ca 0.13 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1ujo h SER 52 Cb 0.08 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1ujo h SER 52 CO -0.12 -0.11 0.00 0.18 -0.87 0.00 0.00 176.83 175.91 1ujo n LEU 53 N -5.26 0.00 -3.41 5.97 4.77 -0.47 -4.76 117.00 113.85 1ujo n LEU 53 Ca 0.13 0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 56.17 1ujo n LEU 53 Cb 0.45 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1ujo n LEU 53 CO 0.09 0.00 -0.82 -1.22 -1.33 0.00 0.00 177.39 174.11 1ujo n TYR 54 N -0.43 -3.37 -0.23 -1.77 4.01 -0.99 -4.71 117.16 109.68 1ujo n TYR 54 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1ujo n TYR 54 Cb 0.00 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.74 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 1.66 0.55 0.03 -0.72 -0.04 -1.26 -4.91 135.00 130.31 1ujo n PRO 55 Ca 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1ujo n PRO 55 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.19 -2.39 0.54 5.08 -1.93 -3.34 114.58 112.35 1ujo h GLU 56 Ca 0.00 0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.06 1ujo h GLU 56 Cb 0.00 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1ujo h GLU 56 CO 0.00 -0.02 0.93 0.41 -1.00 0.00 0.00 179.01 179.33 1ujo n GLY 57 N 1.22 3.22 1.86 -3.84 0.00 -1.26 -3.22 105.19 103.17 1ujo n GLY 57 Ca -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 2.90 -0.41 -4.62 1.61 7.64 -1.25 -5.12 113.62 114.37 1ujo n SER 58 Ca 0.50 -1.29 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 1ujo n SER 58 Cb 0.65 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.03 3.92 -0.02 1.43 3.01 -1.20 -4.49 119.74 122.42 1ujo s LYS 59 Ca 0.02 0.85 -0.03 0.00 -1.01 0.00 0.00 55.97 55.79 1ujo s LYS 59 Cb 0.08 -3.80 -0.02 0.00 -1.01 0.00 0.00 37.83 33.08 1ujo s LYS 59 CO -0.02 -1.08 0.30 -1.00 0.51 0.00 0.00 175.35 174.06 1ujo h PRO 60 N 8.53 -0.11 -6.95 -1.68 0.13 -1.93 -3.46 132.00 126.53 1ujo h PRO 60 Ca -0.22 0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.43 1ujo h PRO 60 Cb 1.06 0.03 0.04 0.00 0.13 0.00 0.00 31.00 32.25 1ujo h PRO 60 CO 1.06 -0.07 0.11 0.08 -0.23 0.00 0.00 178.00 178.95 1ujo s VAL 61 N -1.89 4.73 -0.13 1.56 1.01 -1.26 -5.08 120.40 119.34 1ujo s VAL 61 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1ujo s VAL 61 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1ujo s VAL 61 CO 0.05 -0.79 -0.13 -0.75 0.00 0.00 0.00 175.10 173.49 1ujo s LYS 62 N -4.77 3.35 -0.33 2.72 2.20 -1.26 -4.95 119.74 116.70 1ujo s LYS 62 Ca 0.48 -0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 55.36 1ujo s LYS 62 Cb -0.10 -2.63 0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1ujo s LYS 62 CO 0.45 0.25 0.08 0.08 -0.36 0.00 0.00 175.35 175.85 1ujo s VAL 63 N 0.27 3.65 -2.00 4.02 1.01 -1.26 -4.94 120.40 121.15 1ujo s VAL 63 Ca -0.09 -1.15 0.22 0.00 0.00 0.00 0.00 61.98 60.96 1ujo s VAL 63 Cb -0.15 -3.06 0.64 0.00 0.00 0.00 0.00 36.38 33.81 1ujo s VAL 63 CO 0.05 -0.15 1.73 -0.81 0.00 0.00 0.00 175.10 175.93 1ujo n PRO 64 N 4.78 0.75 0.00 2.72 -0.04 -1.26 -4.88 135.00 137.07 1ujo n PRO 64 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1ujo n PRO 64 Cb 0.45 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1ujo n PRO 64 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ujo n GLU 65 N -0.97 0.00 -3.23 0.54 2.13 -1.26 -4.91 120.64 112.95 1ujo n GLU 65 Ca 0.17 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.60 1ujo n GLU 65 Cb 0.08 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.73 1ujo n GLU 65 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ujo s ASN 66 N 0.00 6.86 0.38 4.31 4.22 -1.26 -5.05 114.94 124.39 1ujo s ASN 66 Ca 0.00 1.02 -0.25 0.00 -2.14 0.00 0.00 52.86 51.50 1ujo s ASN 66 Cb 0.00 -2.34 -0.09 0.00 1.28 0.00 0.00 41.25 40.10 1ujo s ASN 66 CO 0.00 0.03 1.06 -2.16 -2.04 0.00 0.00 177.10 173.99 1ujo s PRO 67 N 0.26 4.24 0.24 3.55 0.04 -1.26 -5.05 135.00 137.02 1ujo s PRO 67 Ca 0.30 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 1ujo s PRO 67 Cb -0.17 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.77 1ujo s PRO 67 CO 0.15 -0.08 0.26 -0.35 0.04 0.00 0.00 177.00 177.01 1ujo n PRO 68 N 0.15 -0.86 0.00 0.56 -0.04 -1.26 -5.05 135.00 128.50 1ujo n PRO 68 Ca 0.04 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 1ujo n PRO 68 Cb 0.49 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 -3.29 0.81 -4.27 3.54 2.88 -1.26 -4.98 113.62 107.05 1ujo n SER 69 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 1ujo n SER 69 Cb 0.13 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.53 -1.47 -0.07 -1.46 2.81 -1.26 -4.88 117.12 108.26 1ujo n MET 70 Ca 0.00 -0.41 -0.06 0.00 -1.81 0.00 0.00 57.70 55.42 1ujo n MET 70 Cb 0.29 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.00 0.25 -0.96 2.03 2.07 -1.99 -3.15 116.25 112.50 1ujo h VAL 71 Ca -0.53 -1.24 0.29 0.00 0.82 0.00 0.00 66.70 66.04 1ujo h VAL 71 Cb 1.36 0.52 -0.17 0.00 -1.52 0.00 0.00 31.29 31.48 1ujo h VAL 71 CO 0.37 0.08 0.21 -0.26 0.02 0.00 0.00 177.57 177.99 1ujo h PHE 72 N -1.00 0.27 0.31 1.57 -1.00 -1.99 0.22 116.94 115.33 1ujo h PHE 72 Ca -0.04 0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1ujo h PHE 72 Cb 0.47 0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1ujo h PHE 72 CO -0.07 -0.37 -0.15 0.87 -1.61 0.00 0.00 178.31 176.98 1ujo h LYS 73 N 0.07 -0.40 -1.00 1.51 1.79 -1.95 -0.59 116.57 116.00 1ujo h LYS 73 Ca 0.64 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 59.24 1ujo h LYS 73 Cb 1.41 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 32.02 1ujo h LYS 73 CO -0.80 -0.27 -0.53 1.96 -1.08 0.00 0.00 179.45 178.73 1ujo h GLN 74 N -0.47 -0.00 -0.60 3.15 1.08 -1.11 0.56 115.11 117.72 1ujo h GLN 74 Ca -0.04 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 1ujo h GLN 74 Cb 0.32 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.66 1ujo h GLN 74 CO 0.07 -0.00 0.04 0.52 -0.95 0.00 0.00 178.83 178.51 1ujo h MET 75 N -0.00 0.15 -0.28 1.46 2.86 -0.65 -0.83 114.93 117.64 1ujo h MET 75 Ca 0.21 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1ujo h MET 75 Cb 0.47 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1ujo h MET 75 CO -0.95 0.10 -0.01 0.93 1.06 0.00 0.00 176.91 178.04 1ujo h GLU 76 N 0.16 0.07 -0.43 1.72 5.08 0.16 -0.70 114.58 120.64 1ujo h GLU 76 Ca 0.31 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1ujo h GLU 76 Cb 0.49 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1ujo h GLU 76 CO -0.48 0.05 -0.37 1.96 -1.00 0.00 0.00 179.01 179.17 1ujo h GLN 77 N 0.07 -0.15 -0.42 2.33 1.08 0.71 0.95 115.11 119.69 1ujo h GLN 77 Ca 0.14 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.42 1ujo h GLN 77 Cb 0.18 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.57 1ujo h GLN 77 CO -0.24 -0.10 -0.02 0.28 -0.95 0.00 0.00 178.83 177.81 1ujo h VAL 78 N -0.15 0.66 -0.58 -0.54 2.07 -1.24 -0.28 116.25 116.20 1ujo h VAL 78 Ca 0.07 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1ujo h VAL 78 Cb 0.34 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 1ujo h VAL 78 CO -0.48 0.02 0.01 0.00 0.02 0.00 0.00 177.57 177.13 1ujo h ALA 79 N 1.38 0.57 -0.73 1.67 0.00 0.68 1.31 119.26 124.14 1ujo h ALA 79 Ca 0.21 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.40 1ujo h ALA 79 Cb 0.30 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1ujo h ALA 79 CO -0.36 -0.38 0.33 1.96 0.00 0.00 0.00 179.25 180.80 1ujo h GLN 80 N 0.13 0.52 -0.11 0.00 4.20 0.25 0.68 115.11 120.78 1ujo h GLN 80 Ca 0.30 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 1ujo h GLN 80 Cb 0.47 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.14 1ujo h GLN 80 CO -0.49 0.35 -0.53 0.35 -0.67 0.00 0.00 178.83 177.84 1ujo h PHE 81 N 0.54 0.75 0.15 2.96 3.57 0.14 -2.37 116.94 122.68 1ujo h PHE 81 Ca 0.38 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ujo h PHE 81 Cb 0.48 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1ujo h PHE 81 CO -0.13 1.11 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.47 1ujo h LEU 82 N 0.17 -1.55 -1.06 0.59 3.38 0.24 1.50 115.31 118.58 1ujo h LEU 82 Ca -0.04 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1ujo h LEU 82 Cb 1.18 0.57 -0.08 0.00 0.09 0.00 0.00 40.66 42.41 1ujo h LEU 82 CO 0.11 -0.56 0.62 0.11 0.09 0.00 0.00 178.44 178.81 1ujo h LYS 83 N -0.77 0.94 -0.55 1.13 1.79 -0.98 0.58 116.57 118.71 1ujo h LYS 83 Ca -0.01 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1ujo h LYS 83 Cb 0.77 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1ujo h LYS 83 CO -0.27 0.62 0.18 0.00 -1.08 0.00 0.00 179.45 178.91 1ujo h ALA 84 N 1.54 0.72 -0.92 3.86 0.00 -0.50 -2.01 119.26 121.95 1ujo h ALA 84 Ca 0.48 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.37 1ujo h ALA 84 Cb 0.49 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1ujo h ALA 84 CO -0.25 0.37 0.59 0.00 0.00 0.00 0.00 179.25 179.96 1ujo h ALA 85 N 1.04 1.87 -0.27 0.00 0.00 0.43 0.39 119.26 122.73 1ujo h ALA 85 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ujo h ALA 85 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ujo h ALA 85 CO -0.01 -0.15 0.06 1.49 0.00 0.00 0.00 179.25 180.65 1ujo h GLU 86 N 0.66 0.43 -0.98 0.00 4.81 -0.69 -2.62 114.58 116.19 1ujo h GLU 86 Ca 0.48 -0.10 0.19 0.00 -0.13 0.00 0.00 59.36 59.80 1ujo h GLU 86 Cb 0.84 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.05 1ujo h GLU 86 CO -0.23 0.52 0.58 -0.44 -0.73 0.00 0.00 179.01 178.71 1ujo h ASP 87 N 0.26 0.72 -0.03 1.04 5.19 -0.56 -0.71 116.42 122.33 1ujo h ASP 87 Ca 0.08 0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.63 1ujo h ASP 87 Cb 0.29 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.73 1ujo h ASP 87 CO 0.00 0.24 -0.27 0.22 -3.12 0.00 0.00 179.24 176.30 1ujo h TYR 88 N 0.71 -0.74 0.00 4.55 3.20 -1.02 -3.45 116.97 120.22 1ujo h TYR 88 Ca 0.57 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.47 1ujo h TYR 88 Cb 0.91 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1ujo h TYR 88 CO -0.02 -0.36 0.00 0.41 -1.64 0.00 0.00 178.16 176.54 1ujo n GLY 89 N -1.39 0.00 3.67 1.82 0.00 -0.28 -5.09 105.19 103.92 1ujo n GLY 89 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 4.44 0.90 1.61 1.01 -1.17 -5.01 120.40 122.17 1ujo s VAL 90 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1ujo s VAL 90 Cb 0.00 -2.90 0.13 0.00 0.00 0.00 0.00 36.38 33.61 1ujo s VAL 90 CO 0.00 0.57 1.11 0.27 0.00 0.00 0.00 175.10 177.06 1ujo s ILE 91 N -0.59 2.37 -2.21 2.22 -4.36 -1.26 -4.66 121.20 112.71 1ujo s ILE 91 Ca 0.10 0.12 0.23 0.00 -0.26 0.00 0.00 60.65 60.84 1ujo s ILE 91 Cb -0.12 -2.77 0.55 0.00 1.25 0.00 0.00 42.46 41.37 1ujo s ILE 91 CO 0.02 -0.15 1.71 0.29 0.24 0.00 0.00 174.94 177.05 1ujo n LYS 92 N -3.79 1.42 -0.00 0.37 4.01 -1.26 -3.12 118.16 115.79 1ujo n LYS 92 Ca 0.06 -0.63 0.11 0.00 -0.51 0.00 0.00 58.31 57.34 1ujo n LYS 92 Cb 0.58 -1.39 -0.14 0.00 -0.51 0.00 0.00 35.03 33.57 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1ujo n THR 93 N -0.18 0.01 0.17 -0.18 -1.04 -1.26 -4.16 114.28 107.65 1ujo n THR 93 Ca 0.17 -0.27 0.10 0.00 -2.04 0.00 0.00 64.05 62.02 1ujo n THR 93 Cb 0.23 0.45 -0.15 0.00 -1.82 0.00 0.00 70.33 69.04 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 -1.91 0.33 -4.82 8.00 9.92 -1.18 -4.96 116.55 121.93 1ujo n ASP 94 Ca -0.00 -0.19 -0.33 0.00 -0.53 0.00 0.00 54.79 53.74 1ujo n ASP 94 Cb 0.46 1.78 -0.06 0.00 -0.64 0.00 0.00 41.12 42.66 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 -3.37 4.13 0.13 -1.24 -1.94 -1.19 -2.33 119.30 113.50 1ujo s MET 95 Ca -0.05 1.17 0.00 0.00 -1.71 0.00 0.00 55.69 55.10 1ujo s MET 95 Cb 0.14 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.82 1ujo s MET 95 CO 0.87 -0.12 0.02 1.97 -0.01 0.00 0.00 175.02 177.76 1ujo n PHE 96 N -0.72 -0.09 -4.05 -0.03 1.16 -1.26 -4.98 117.46 107.49 1ujo n PHE 96 Ca 0.07 -0.61 -0.35 0.00 -1.87 0.00 0.00 57.45 54.69 1ujo n PHE 96 Cb 0.54 -0.09 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 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 -2.48 3.64 0.37 3.97 -0.21 -1.26 -4.97 119.66 118.73 1ujo s GLN 97 Ca 0.02 -0.30 0.25 0.00 0.02 0.00 0.00 55.36 55.34 1ujo s GLN 97 Cb -0.00 -3.12 1.30 0.00 1.00 0.00 0.00 33.01 32.18 1ujo s GLN 97 CO 0.01 0.49 1.43 2.41 -2.12 0.00 0.00 175.29 177.51 1ujo n THR 98 N 2.87 -0.30 0.09 -0.19 -1.04 -1.26 0.20 114.28 114.64 1ujo n THR 98 Ca -0.18 1.74 -0.13 0.00 -2.04 0.00 0.00 64.05 63.45 1ujo n THR 98 Cb 0.53 -2.85 -0.08 0.00 -1.82 0.00 0.00 70.33 66.11 1ujo n THR 98 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ujo h VAL 99 N 0.00 0.94 -1.92 12.58 3.04 -1.95 1.43 116.25 130.38 1ujo h VAL 99 Ca 0.79 -0.59 0.56 0.00 -1.01 0.00 0.00 66.70 66.45 1ujo h VAL 99 Cb 2.33 1.30 -0.08 0.00 -2.01 0.00 0.00 31.29 32.83 1ujo h VAL 99 CO -0.56 0.14 1.40 0.44 -1.01 0.00 0.00 177.57 177.98 1ujo h ASP 100 N -0.52 0.00 0.00 3.17 3.32 0.19 1.31 116.42 123.90 1ujo h ASP 100 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ujo h ASP 100 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1ujo h ASP 100 CO 0.04 0.00 -0.61 -0.11 -1.72 0.00 0.00 179.24 176.84 1ujo n LEU 101 N -3.92 1.19 -0.28 1.55 7.94 -0.93 -1.87 117.00 120.67 1ujo n LEU 101 Ca 0.43 0.21 0.02 0.00 -1.11 0.00 0.00 56.01 55.56 1ujo n LEU 101 Cb 1.98 -0.65 0.09 0.00 0.53 0.00 0.00 43.42 45.37 1ujo n LEU 101 CO 0.44 -0.36 0.69 0.22 -1.11 0.00 0.00 177.39 177.27 1ujo h TYR 102 N -0.61 -0.51 0.00 1.96 3.20 0.29 0.30 116.97 121.60 1ujo h TYR 102 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ujo h TYR 102 Cb 0.61 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1ujo h TYR 102 CO -0.26 -0.35 -0.91 0.39 -1.64 0.00 0.00 178.16 175.39 1ujo n GLU 103 N -5.51 0.48 -1.73 1.82 -0.58 0.44 -4.93 120.64 110.63 1ujo n GLU 103 Ca 0.11 0.10 -0.09 0.00 -0.42 0.00 0.00 57.16 56.85 1ujo n GLU 103 Cb 0.40 -1.76 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.24 0.52 0.37 0.62 0.00 0.11 -4.93 105.19 103.13 1ujo n GLY 104 Ca 0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -0.59 -4.72 1.61 1.57 -1.44 -3.37 116.57 109.62 1ujo h LYS 105 Ca -0.20 0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 57.96 1ujo h LYS 105 Cb 0.89 0.13 -0.38 0.00 0.08 0.00 0.00 32.23 32.95 1ujo h LYS 105 CO 0.26 -0.39 -0.78 -0.51 -0.57 0.00 0.00 179.45 177.46 1ujo s ASP 106 N -4.72 4.45 -0.11 0.86 1.11 -1.10 -4.98 116.67 112.18 1ujo s ASP 106 Ca -0.16 -1.57 -0.24 0.00 0.18 0.00 0.00 52.55 50.76 1ujo s ASP 106 Cb 0.07 -1.51 -0.28 0.00 1.07 0.00 0.00 42.92 42.28 1ujo s ASP 106 CO 0.64 -0.25 0.74 0.24 1.18 0.00 0.00 175.17 177.71 1ujo h MET 107 N 7.76 0.15 -1.35 8.23 2.86 -1.74 -3.11 114.93 127.73 1ujo h MET 107 Ca -0.15 -0.25 0.39 0.00 -2.06 0.00 0.00 59.70 57.63 1ujo h MET 107 Cb 1.04 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.72 1ujo h MET 107 CO 0.47 1.12 0.95 0.00 1.06 0.00 0.00 176.91 180.51 1ujo h ALA 108 N -0.02 3.13 0.10 6.32 0.00 -1.94 0.40 119.26 127.24 1ujo h ALA 108 Ca -0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ujo h ALA 108 Cb 1.38 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ujo h ALA 108 CO 0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 179.25 177.69 1ujo h ALA 109 N 1.37 -0.13 -1.21 0.00 0.00 -1.95 -0.78 119.26 116.56 1ujo h ALA 109 Ca 0.67 -0.26 0.40 0.00 0.00 0.00 0.00 54.91 55.72 1ujo h ALA 109 Cb 2.52 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 20.23 1ujo h ALA 109 CO -0.09 -0.19 0.76 0.28 0.00 0.00 0.00 179.25 180.01 1ujo h VAL 110 N -0.88 0.18 0.06 0.00 2.07 -0.18 0.63 116.25 118.12 1ujo h VAL 110 Ca -0.01 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1ujo h VAL 110 Cb 0.56 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ujo h VAL 110 CO 0.02 0.03 -0.44 1.56 0.02 0.00 0.00 177.57 178.75 1ujo h GLN 111 N 0.14 0.19 -1.22 1.57 4.20 -1.21 -3.23 115.11 115.55 1ujo h GLN 111 Ca 0.79 -0.29 0.35 0.00 0.06 0.00 0.00 58.65 59.56 1ujo h GLN 111 Cb 2.29 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 30.13 1ujo h GLN 111 CO -0.47 1.10 1.01 -0.09 -0.67 0.00 0.00 178.83 179.71 1ujo h ARG 112 N -0.57 0.00 0.18 1.46 2.43 0.18 0.39 114.38 118.45 1ujo h ARG 112 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1ujo h ARG 112 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1ujo h ARG 112 CO 0.08 0.00 -0.09 1.15 -1.51 0.00 0.00 179.97 179.61 1ujo h THR 113 N 0.00 0.00 -0.48 0.20 2.02 -0.82 -3.24 112.91 110.59 1ujo h THR 113 Ca 0.58 -0.54 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1ujo h THR 113 Cb 2.60 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.92 1ujo h THR 113 CO -0.01 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.73 1ujo h LEU 114 N -0.78 -0.37 -1.69 2.58 3.38 -1.01 0.32 115.31 117.73 1ujo h LEU 114 Ca -0.03 0.13 0.46 0.00 0.09 0.00 0.00 57.88 58.54 1ujo h LEU 114 Cb 0.19 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1ujo h LEU 114 CO 0.04 -0.13 1.03 0.24 0.09 0.00 0.00 178.44 179.71 1ujo h MET 115 N 0.03 0.06 0.00 1.13 2.86 -0.45 0.38 114.93 118.95 1ujo h MET 115 Ca 0.23 -0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.72 1ujo h MET 115 Cb 0.36 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1ujo h MET 115 CO -0.46 0.04 -0.85 0.00 1.06 0.00 0.00 176.91 176.69 1ujo h ALA 116 N 1.38 0.17 -0.40 6.32 0.00 -0.51 -3.20 119.26 123.03 1ujo h ALA 116 Ca 0.81 -0.95 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ujo h ALA 116 Cb 2.86 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 21.08 1ujo h ALA 116 CO -0.21 0.49 -0.52 1.25 0.00 0.00 0.00 179.25 180.25 1ujo h LEU 117 N -1.00 -1.75 -0.01 0.00 5.85 0.17 0.57 115.31 119.14 1ujo h LEU 117 Ca -0.23 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ujo h LEU 117 Cb 1.15 0.72 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1ujo h LEU 117 CO -0.14 -0.37 -0.13 1.23 -0.34 0.00 0.00 178.44 178.69 1ujo h GLY 118 N -0.36 -1.36 -0.74 3.75 0.00 -0.62 0.63 103.07 104.37 1ujo h GLY 118 Ca 0.07 0.63 0.35 0.00 0.00 0.00 0.00 47.33 48.38 1ujo h GLY 118 CO -0.56 -0.47 0.51 0.23 0.00 0.00 0.00 176.54 176.24 1ujo h SER 119 N -0.15 0.35 -0.37 0.19 0.87 -1.46 1.48 113.55 114.45 1ujo h SER 119 Ca 0.00 0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1ujo h SER 119 Cb 0.17 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1ujo h SER 119 CO -0.09 -0.27 0.24 -0.07 -0.53 0.00 0.00 176.83 176.11 1ujo h LEU 120 N 0.17 0.41 -1.21 2.23 3.38 0.16 0.32 115.31 120.77 1ujo h LEU 120 Ca 0.76 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.64 1ujo h LEU 120 Cb 1.86 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1ujo h LEU 120 CO -0.69 0.30 -0.39 0.00 0.09 0.00 0.00 178.44 177.74 1ujo h ALA 121 N 1.14 1.32 -0.33 1.53 0.00 0.40 -2.53 119.26 120.78 1ujo h ALA 121 Ca 0.14 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1ujo h ALA 121 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ujo h ALA 121 CO -0.04 0.49 -0.20 0.28 0.00 0.00 0.00 179.25 179.78 1ujo h VAL 122 N 0.00 1.29 -0.57 0.00 2.07 0.12 0.21 116.25 119.38 1ujo h VAL 122 Ca -0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1ujo h VAL 122 Cb 0.71 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1ujo h VAL 122 CO 0.05 0.43 0.36 0.74 0.02 0.00 0.00 177.57 179.18 1ujo h THR 123 N 0.49 1.15 0.00 2.57 2.02 -0.07 -3.31 112.91 115.77 1ujo h THR 123 Ca 0.07 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1ujo h THR 123 Cb 0.75 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ujo h THR 123 CO 0.06 0.15 0.00 0.29 0.37 0.00 0.00 175.52 176.39 1ujo n LYS 124 N -4.44 0.00 -2.62 6.66 5.02 -0.98 -5.05 118.16 116.75 1ujo n LYS 124 Ca 0.05 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1ujo n LYS 124 Cb 0.05 -0.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.45 1ujo n LYS 124 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ujo n ASN 125 N -0.52 -1.02 -2.45 4.39 5.15 0.04 -5.02 115.26 115.85 1ujo n ASN 125 Ca 0.00 1.36 -0.03 0.00 -0.60 0.00 0.00 54.58 55.31 1ujo n ASN 125 Cb 0.00 -5.09 0.08 0.00 -0.53 0.00 0.00 39.78 34.24 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ujo n ASP 126 N 1.78 -1.24 -1.01 1.20 -0.08 -1.26 -5.00 116.55 110.94 1ujo n ASP 126 Ca -0.39 -1.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.94 1ujo n ASP 126 Cb 0.61 0.69 0.00 0.00 2.34 0.00 0.00 41.12 44.76 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ujo n GLY 127 N -0.84 0.89 2.05 0.27 0.00 -1.26 -5.02 105.19 101.28 1ujo n GLY 127 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.00 -1.03 -4.55 1.61 3.02 -1.26 -4.96 115.26 107.09 1ujo n ASN 128 Ca 0.00 0.36 -0.36 0.00 -0.03 0.00 0.00 54.58 54.55 1ujo n ASN 128 Cb 0.34 1.13 -0.04 0.00 -0.61 0.00 0.00 39.78 40.60 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 -2.00 1.75 0.64 3.10 6.14 -1.26 -4.60 117.35 121.11 1ujo s TYR 129 Ca 0.00 0.67 0.35 0.00 0.64 0.00 0.00 57.07 58.73 1ujo s TYR 129 Cb 0.00 -4.12 1.98 0.00 0.42 0.00 0.00 41.96 40.24 1ujo s TYR 129 CO 0.00 -2.14 2.18 0.00 0.64 0.00 0.00 175.55 176.23 1ujo h ARG 130 N 13.65 0.00 0.00 4.97 2.47 -1.94 -3.41 114.38 130.12 1ujo h ARG 130 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1ujo h ARG 130 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1ujo h ARG 130 CO 1.22 0.00 0.00 0.41 0.56 0.00 0.00 179.97 182.16 1ujo n GLY 131 N -1.23 1.47 3.75 0.04 0.00 -1.26 -4.94 105.19 103.02 1ujo n GLY 131 Ca -0.01 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.00 5.40 0.43 1.61 1.11 -1.26 -5.01 116.67 117.95 1ujo s ASP 132 Ca 0.00 -0.04 0.24 0.00 0.18 0.00 0.00 52.55 52.93 1ujo s ASP 132 Cb 0.00 -1.42 0.69 0.00 1.07 0.00 0.00 42.92 43.27 1ujo s ASP 132 CO 0.00 0.18 1.73 1.55 1.18 0.00 0.00 175.17 179.81 1ujo h PRO 133 N 3.39 0.00 -1.96 8.23 0.13 -1.93 -3.25 132.00 136.61 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 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 1ujo h PRO 133 CO 0.64 0.19 0.08 0.09 -0.23 0.00 0.00 178.00 178.77 1ujo n ASN 134 N -3.23 5.96 0.02 1.44 3.02 -1.26 -3.96 115.26 117.24 1ujo n ASN 134 Ca 0.01 -2.88 -0.02 0.00 -0.03 0.00 0.00 54.58 51.66 1ujo n ASN 134 Cb 0.49 -1.28 -0.01 0.00 -0.61 0.00 0.00 39.78 38.37 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 1.47 0.00 1.51 3.10 8.01 -1.23 -4.67 117.44 125.63 1ujo n TRP 135 Ca 0.43 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.76 1ujo n TRP 135 Cb 0.69 -0.12 0.75 0.00 -2.01 0.00 0.00 31.31 30.62 1ujo n TRP 135 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1ujo n PHE 136 N -3.71 0.00 -1.43 -5.99 3.01 -1.25 -4.91 117.46 103.17 1ujo n PHE 136 Ca -0.03 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.97 1ujo n PHE 136 Cb 0.13 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 1ujo n PHE 136 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ujo n MET 137 N -1.14 0.33 -1.12 -1.08 0.00 -1.25 -4.91 117.12 107.94 1ujo n MET 137 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.98 1ujo n MET 137 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.23 1ujo n MET 137 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1ujo n LYS 138 N 0.94 0.00 -3.38 3.17 4.81 -1.26 -5.11 118.16 117.33 1ujo n LYS 138 Ca 0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 1ujo n LYS 138 Cb 0.31 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.27 1ujo n LYS 138 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1ujo s SER 139 N 0.02 0.92 0.34 3.14 0.01 -1.26 -5.15 113.70 111.73 1ujo s SER 139 Ca 0.00 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.04 1ujo s SER 139 Cb 0.00 0.79 -0.03 0.00 0.21 0.00 0.00 66.02 66.99 1ujo s SER 139 CO 0.00 -0.34 0.21 -0.83 0.41 0.00 0.00 173.24 172.69 1ujo s GLY 140 N 2.45 2.35 0.28 3.44 0.00 -1.26 -5.14 107.32 109.44 1ujo s GLY 140 Ca 0.10 -1.75 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 1ujo s GLY 140 CO -0.23 -1.59 1.08 2.56 0.00 0.00 0.00 173.10 174.91 1ujo s PRO 141 N -3.61 4.64 -0.06 2.90 0.04 -1.26 -5.04 135.00 132.60 1ujo s PRO 141 Ca 0.35 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1ujo s PRO 141 Cb 0.03 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.44 1ujo s PRO 141 CO 0.22 0.23 0.04 0.45 0.04 0.00 0.00 177.00 177.98 1ujo s SER 142 N -0.95 1.42 -0.32 6.66 0.15 -1.26 -5.12 113.70 114.28 1ujo s SER 142 Ca 0.45 -0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 1ujo s SER 142 Cb -0.31 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1ujo s SER 142 CO 0.39 -0.24 0.63 -0.94 1.20 0.00 0.00 173.24 174.28 1ujo s SER 143 N 2.10 6.47 0.00 5.45 1.04 -1.26 -5.34 113.70 122.16 1ujo s SER 143 Ca 0.05 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1ujo s SER 143 Cb -0.13 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1ujo s SER 143 CO -0.04 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.26