#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo s SER 2 N 0.00 -0.38 -0.01 1.61 1.04 -1.26 -5.17 113.70 109.54 1ujo s SER 2 Ca 0.00 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.64 1ujo s SER 2 Cb 0.00 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 1ujo s SER 2 CO 0.00 -0.62 -0.05 -0.55 0.98 0.00 0.00 173.24 173.00 1ujo s SER 3 N -1.70 0.63 -1.26 7.02 0.15 -1.26 -5.06 113.70 112.22 1ujo s SER 3 Ca -0.08 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.42 1ujo s SER 3 Cb -0.02 -0.09 0.17 0.00 -1.71 0.00 0.00 66.02 64.37 1ujo s SER 3 CO 0.02 0.06 2.18 0.61 1.20 0.00 0.00 173.24 177.31 1ujo n GLY 4 N 3.02 5.30 1.36 9.45 0.00 -1.26 -4.96 105.19 118.11 1ujo n GLY 4 Ca -0.14 -2.17 0.16 0.00 0.00 0.00 0.00 46.02 43.87 1ujo n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujo n SER 5 N 1.72 -7.14 0.00 1.61 2.88 -1.26 -5.04 113.62 106.39 1ujo n SER 5 Ca 0.55 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 59.35 1ujo n SER 5 Cb 0.27 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 1ujo n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujo n SER 6 N -4.25 0.00 0.00 -3.46 2.88 -1.26 -5.05 113.62 102.49 1ujo n SER 6 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ujo n SER 6 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.00 0.24 3.56 0.46 0.00 -1.26 -4.61 105.19 103.57 1ujo n GLY 7 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1ujo n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujo s GLU 8 N -2.00 2.01 0.12 1.61 2.02 -1.26 -5.02 118.70 116.18 1ujo s GLU 8 Ca 0.00 -1.29 -0.26 0.00 0.02 0.00 0.00 54.97 53.44 1ujo s GLU 8 Cb 0.00 -2.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.02 1ujo s GLU 8 CO 0.00 0.43 1.44 0.93 0.02 0.00 0.00 175.26 178.08 1ujo h GLU 9 N 2.94 -0.17 -0.48 1.61 3.07 -2.00 -1.05 114.58 118.51 1ujo h GLU 9 Ca -0.47 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.45 1ujo h GLU 9 Cb 1.20 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 29.09 1ujo h GLU 9 CO 0.54 -0.11 -0.29 1.25 -1.40 0.00 0.00 179.01 179.00 1ujo h LEU 10 N -0.17 -1.06 -0.95 1.33 6.46 -1.99 0.73 115.31 119.66 1ujo h LEU 10 Ca 0.09 0.16 0.09 0.00 -0.12 0.00 0.00 57.88 58.10 1ujo h LEU 10 Cb 0.41 0.47 -0.12 0.00 -0.73 0.00 0.00 40.66 40.69 1ujo h LEU 10 CO -0.61 -0.11 -0.55 -0.62 -0.62 0.00 0.00 178.44 175.93 1ujo n GLU 11 N -4.10 -0.40 -0.33 1.25 1.02 -0.56 0.77 120.64 118.29 1ujo n GLU 11 Ca 0.01 1.43 0.06 0.00 -0.02 0.00 0.00 57.16 58.64 1ujo n GLU 11 Cb 0.13 -2.10 0.14 0.00 -0.02 0.00 0.00 31.44 29.59 1ujo n GLU 11 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ujo h GLU 12 N 0.00 0.00 0.50 3.49 5.08 0.31 0.42 114.58 124.38 1ujo h GLU 12 Ca 0.16 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1ujo h GLU 12 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ujo h GLU 12 CO -0.89 0.00 -0.24 -0.09 -1.00 0.00 0.00 179.01 176.79 1ujo h ARG 13 N 0.00 -0.64 -0.90 2.33 9.65 0.13 0.47 114.38 125.43 1ujo h ARG 13 Ca 0.46 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.51 1ujo h ARG 13 Cb 0.73 0.15 -0.14 0.00 -1.39 0.00 0.00 29.97 29.32 1ujo h ARG 13 CO -0.94 -0.34 -0.44 -0.07 2.80 0.00 0.00 179.97 180.98 1ujo h LEU 14 N -1.01 -1.59 -0.05 3.80 3.38 0.18 0.53 115.31 120.55 1ujo h LEU 14 Ca -0.07 0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ujo h LEU 14 Cb 0.60 0.78 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1ujo h LEU 14 CO 0.11 -0.29 -0.01 0.58 0.09 0.00 0.00 178.44 178.93 1ujo h VAL 15 N -0.05 0.96 -0.56 1.22 2.07 -0.26 0.29 116.25 119.92 1ujo h VAL 15 Ca 0.27 -0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.95 1ujo h VAL 15 Cb 0.55 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1ujo h VAL 15 CO -0.91 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 176.98 1ujo h GLU 16 N 0.01 0.00 0.00 1.57 4.39 0.22 0.40 114.58 121.17 1ujo h GLU 16 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ujo h GLU 16 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ujo h GLU 16 CO -0.04 0.00 -0.08 2.35 -1.16 0.00 0.00 179.01 180.08 1ujo h TRP 17 N 0.00 0.00 -1.64 4.33 7.01 0.13 -3.19 115.95 122.58 1ujo h TRP 17 Ca 0.27 0.00 0.48 0.00 2.11 0.00 0.00 58.89 61.74 1ujo h TRP 17 Cb 1.51 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.51 1ujo h TRP 17 CO 0.00 0.00 1.23 0.82 -2.79 0.00 0.00 178.44 177.70 1ujo h ILE 18 N -0.46 0.13 0.42 2.65 2.04 -0.08 1.12 117.51 123.33 1ujo h ILE 18 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ujo h ILE 18 Cb 0.08 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1ujo h ILE 18 CO 0.00 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.53 1ujo h VAL 19 N 0.00 0.56 -0.29 1.67 2.07 -0.34 0.52 116.25 120.45 1ujo h VAL 19 Ca 0.78 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.89 1ujo h VAL 19 Cb 3.23 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 1ujo h VAL 19 CO -0.01 0.06 -0.04 -0.37 0.02 0.00 0.00 177.57 177.23 1ujo h VAL 20 N -0.77 1.27 0.17 2.57 -1.51 0.99 1.70 116.25 120.67 1ujo h VAL 20 Ca -0.06 -1.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 1ujo h VAL 20 Cb 0.53 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1ujo h VAL 20 CO 0.09 0.33 -0.12 1.56 -1.23 0.00 0.00 177.57 178.20 1ujo h GLN 21 N 0.31 -0.27 0.34 5.19 1.08 0.08 -3.26 115.11 118.59 1ujo h GLN 21 Ca 0.08 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1ujo h GLN 21 Cb 0.50 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1ujo h GLN 21 CO 0.02 -0.18 -0.17 0.00 -0.95 0.00 0.00 178.83 177.56 1ujo n GLY 23 N -0.82 1.35 2.32 0.00 0.00 0.58 -4.77 105.19 103.84 1ujo n GLY 23 Ca -0.10 -2.22 -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 -0.60 2.20 0.00 1.61 -0.04 -1.25 -3.36 135.00 133.56 1ujo n PRO 24 Ca 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1ujo n PRO 24 Cb 0.00 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1ujo n PRO 24 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ujo n ASP 25 N 3.33 0.59 0.10 3.54 5.75 -1.26 -4.77 116.55 123.84 1ujo n ASP 25 Ca 0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 55.24 1ujo n ASP 25 Cb 0.41 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.74 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1ujo h VAL 26 N 0.00 1.30 0.00 2.12 -1.51 -1.90 -3.48 116.25 112.78 1ujo h VAL 26 Ca 0.00 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1ujo h VAL 26 Cb 0.59 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1ujo h VAL 26 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 177.57 177.38 1ujo n GLY 27 N -0.26 0.57 3.38 5.19 0.00 -1.26 -4.96 105.19 107.86 1ujo n GLY 27 Ca -0.01 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 1ujo n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo s ARG 28 N 0.00 1.45 0.77 1.61 0.52 -1.26 -4.86 118.95 117.17 1ujo s ARG 28 Ca 0.00 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 53.36 1ujo s ARG 28 Cb 0.00 -0.84 0.05 0.00 0.52 0.00 0.00 34.95 34.68 1ujo s ARG 28 CO 0.00 -0.06 1.08 -1.25 0.02 0.00 0.00 175.30 175.09 1ujo s PRO 29 N -3.82 2.36 0.97 3.54 0.04 -1.26 -5.05 135.00 131.78 1ujo s PRO 29 Ca 0.30 0.75 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 1ujo s PRO 29 Cb 0.05 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.86 1ujo s PRO 29 CO 0.11 -1.46 1.31 -0.51 0.04 0.00 0.00 177.00 176.49 1ujo s ASP 30 N -3.86 3.00 0.92 6.66 1.01 -1.26 -4.90 116.67 118.25 1ujo s ASP 30 Ca 0.60 0.30 -0.12 0.00 0.71 0.00 0.00 52.55 54.05 1ujo s ASP 30 Cb -0.14 -0.37 0.15 0.00 1.01 0.00 0.00 42.92 43.56 1ujo s ASP 30 CO 0.54 -2.81 1.09 0.00 0.21 0.00 0.00 175.17 174.21 1ujo s ARG 31 N -5.85 1.02 0.45 8.23 3.03 -1.26 -4.16 118.95 120.41 1ujo s ARG 31 Ca 0.74 0.81 0.00 0.00 2.03 0.00 0.00 55.73 59.30 1ujo s ARG 31 Cb -0.04 -1.78 0.00 0.00 -1.03 0.00 0.00 34.95 32.09 1ujo s ARG 31 CO 0.53 -2.40 0.00 0.41 -1.13 0.00 0.00 175.30 172.71 1ujo n GLY 32 N -0.97 -3.10 0.13 3.88 0.00 -1.26 -2.94 105.19 100.94 1ujo n GLY 32 Ca 0.07 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1ujo n GLY 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ujo h ARG 33 N -1.04 0.28 -0.94 1.61 9.65 -1.89 -1.77 114.38 120.28 1ujo h ARG 33 Ca -0.14 -0.02 0.28 0.00 -1.10 0.00 0.00 59.98 59.01 1ujo h ARG 33 Cb 1.01 -0.06 -0.15 0.00 -1.39 0.00 0.00 29.97 29.38 1ujo h ARG 33 CO 0.05 0.19 0.38 -0.07 2.80 0.00 0.00 179.97 183.32 1ujo h LEU 34 N 0.29 0.20 0.00 3.80 -0.00 -1.94 -1.75 115.31 115.91 1ujo h LEU 34 Ca 0.12 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 1ujo h LEU 34 Cb 0.05 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1ujo h LEU 34 CO -0.09 -0.17 0.00 0.61 -0.00 0.00 0.00 178.44 178.79 1ujo n GLY 35 N -1.34 -3.14 0.35 0.83 0.00 -0.67 -0.98 105.19 100.24 1ujo n GLY 35 Ca 0.26 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.69 -0.39 1.61 3.57 -1.42 -0.07 116.94 119.54 1ujo h PHE 36 Ca 0.00 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1ujo h PHE 36 Cb 0.00 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1ujo h PHE 36 CO -0.82 -0.39 -0.31 0.37 -2.23 0.00 0.00 178.31 174.93 1ujo h GLN 37 N -0.02 -0.10 -0.60 1.11 4.15 -0.94 0.21 115.11 118.92 1ujo h GLN 37 Ca 0.39 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.93 1ujo h GLN 37 Cb 0.63 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.26 1ujo h GLN 37 CO -0.92 -0.06 0.10 0.28 -1.93 0.00 0.00 178.83 176.29 1ujo h VAL 38 N -0.10 0.61 -0.90 2.39 2.07 -0.18 0.25 116.25 120.39 1ujo h VAL 38 Ca 0.06 -0.08 0.24 0.00 0.82 0.00 0.00 66.70 67.74 1ujo h VAL 38 Cb 0.27 0.36 -0.16 0.00 -1.52 0.00 0.00 31.29 30.24 1ujo h VAL 38 CO -0.42 0.04 0.10 -0.25 0.02 0.00 0.00 177.57 177.07 1ujo h TRP 39 N 0.23 0.10 -1.89 1.57 7.01 0.10 0.43 115.95 123.51 1ujo h TRP 39 Ca 0.32 0.06 -0.67 0.00 2.11 0.00 0.00 58.89 60.71 1ujo h TRP 39 Cb 0.48 0.10 -0.36 0.00 -2.10 0.00 0.00 29.16 27.29 1ujo h TRP 39 CO -0.27 -0.32 0.02 1.28 -2.79 0.00 0.00 178.44 176.36 1ujo n LEU 40 N -5.36 5.81 -0.02 0.65 4.77 0.76 -4.69 117.00 118.92 1ujo n LEU 40 Ca 0.21 -5.22 -0.02 0.00 -0.03 0.00 0.00 56.01 50.95 1ujo n LEU 40 Cb 0.68 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1ujo n LEU 40 CO 0.00 2.10 -0.18 1.17 -1.33 0.00 0.00 177.39 179.16 1ujo n LYS 41 N -0.40 0.14 -0.33 3.23 4.81 0.15 -4.66 118.16 121.10 1ujo n LYS 41 Ca 0.43 0.05 0.06 0.00 -0.87 0.00 0.00 58.31 57.98 1ujo n LYS 41 Cb 0.44 -0.64 0.14 0.00 0.02 0.00 0.00 35.03 34.99 1ujo n LYS 41 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1ujo h ASN 42 N -0.26 -0.81 0.00 3.14 7.08 -1.84 -3.44 115.58 119.45 1ujo h ASN 42 Ca 0.00 0.27 0.00 0.00 -3.08 0.00 0.00 56.30 53.49 1ujo h ASN 42 Cb 0.26 0.56 0.00 0.00 -2.08 0.00 0.00 38.32 37.06 1ujo h ASN 42 CO 0.00 -0.31 0.00 0.61 -2.08 0.00 0.00 177.43 175.65 1ujo n GLY 43 N -1.57 2.70 0.18 9.14 0.00 -1.26 -4.13 105.19 110.24 1ujo n GLY 43 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 0.60 -0.75 1.61 2.07 -1.89 0.93 116.25 118.82 1ujo h VAL 44 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ujo h VAL 44 Cb 0.00 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1ujo h VAL 44 CO 0.00 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.44 1ujo h ILE 45 N 0.03 1.21 -0.33 4.57 2.04 -1.93 0.37 117.51 123.47 1ujo h ILE 45 Ca 0.21 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1ujo h ILE 45 Cb 0.31 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ujo h ILE 45 CO -0.42 0.22 0.04 -0.07 0.00 0.00 0.00 178.15 177.93 1ujo h LEU 46 N 1.04 0.54 -0.66 1.44 3.38 -1.01 -0.70 115.31 119.33 1ujo h LEU 46 Ca 0.27 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ujo h LEU 46 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ujo h LEU 46 CO -0.05 0.67 0.17 0.77 0.09 0.00 0.00 178.44 180.09 1ujo h SER 47 N 0.38 1.00 -0.21 -0.43 4.64 0.15 -2.03 113.55 117.06 1ujo h SER 47 Ca 0.10 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1ujo h SER 47 Cb 0.37 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1ujo h SER 47 CO 0.01 0.97 0.07 0.11 -0.87 0.00 0.00 176.83 177.12 1ujo h LYS 48 N 0.98 0.39 0.00 4.77 1.57 -0.06 -1.14 116.57 123.08 1ujo h LYS 48 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ujo h LYS 48 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ujo h LYS 48 CO 0.00 0.37 0.00 -0.11 -0.57 0.00 0.00 179.45 179.14 1ujo n LEU 49 N -4.38 0.03 -0.32 2.94 7.94 -0.29 -0.77 117.00 122.15 1ujo n LEU 49 Ca 0.01 0.78 0.16 0.00 -1.11 0.00 0.00 56.01 55.84 1ujo n LEU 49 Cb 0.16 -0.29 0.32 0.00 0.53 0.00 0.00 43.42 44.15 1ujo n LEU 49 CO 0.37 -0.29 0.89 1.62 -1.11 0.00 0.00 177.39 178.86 1ujo h VAL 50 N 0.00 0.14 0.07 1.96 3.04 -1.48 0.32 116.25 120.30 1ujo h VAL 50 Ca 0.00 -0.03 0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1ujo h VAL 50 Cb 0.00 0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.28 1ujo h VAL 50 CO 0.00 0.02 -0.53 0.78 -1.01 0.00 0.00 177.57 176.82 1ujo h ASN 51 N 0.08 -1.62 -0.92 3.17 2.35 -1.10 -0.41 115.58 117.13 1ujo h ASN 51 Ca 0.61 0.18 0.24 0.00 -0.55 0.00 0.00 56.30 56.78 1ujo h ASN 51 Cb 1.30 0.61 -0.17 0.00 0.05 0.00 0.00 38.32 40.10 1ujo h ASN 51 CO -0.80 -0.55 -0.02 -1.20 -1.65 0.00 0.00 177.43 173.22 1ujo n SER 52 N -5.48 -0.14 0.00 5.81 7.64 0.11 -2.04 113.62 119.52 1ujo n SER 52 Ca -0.08 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1ujo n SER 52 Cb 0.41 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -5.38 0.00 -3.65 -3.43 4.77 -0.24 -4.69 117.00 104.38 1ujo n LEU 53 Ca 0.21 0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 56.23 1ujo n LEU 53 Cb 0.68 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.77 1ujo n LEU 53 CO -0.08 0.00 -0.54 -1.22 -1.33 0.00 0.00 177.39 174.22 1ujo n TYR 54 N -0.38 -2.45 -0.97 -1.77 4.01 -0.74 -4.74 117.16 110.11 1ujo n TYR 54 Ca 0.00 0.40 -0.09 0.00 -0.16 0.00 0.00 57.90 58.05 1ujo n TYR 54 Cb 0.00 -1.45 0.07 0.00 -0.31 0.00 0.00 39.34 37.64 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 1.28 -1.00 0.10 -0.72 -0.04 -1.26 -4.80 135.00 128.56 1ujo n PRO 55 Ca 0.07 -0.55 -0.01 0.00 -0.04 0.00 0.00 63.50 62.97 1ujo n PRO 55 Cb 0.40 -0.44 -0.03 0.00 -0.04 0.00 0.00 33.50 33.39 1ujo n PRO 55 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ujo h GLU 56 N 0.00 0.00 -0.70 0.54 4.11 -1.93 -2.90 114.58 113.70 1ujo h GLU 56 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1ujo h GLU 56 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ujo h GLU 56 CO 0.08 0.59 0.00 0.41 0.07 0.00 0.00 179.01 180.17 1ujo n GLY 57 N 1.29 1.39 1.19 1.06 0.00 -1.26 -4.29 105.19 104.58 1ujo n GLY 57 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.15 0.00 -3.16 1.61 2.88 -1.20 -5.09 113.62 108.80 1ujo n SER 58 Ca 0.07 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1ujo n SER 58 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.25 -0.60 0.09 -1.46 4.01 -1.10 -4.93 118.16 111.91 1ujo n LYS 59 Ca 0.00 0.97 -0.05 0.00 -0.51 0.00 0.00 58.31 58.72 1ujo n LYS 59 Cb 0.00 -1.40 -0.02 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 3.48 -0.29 -7.05 1.97 0.13 -1.94 -3.46 132.00 124.83 1ujo h PRO 60 Ca -0.02 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.63 1ujo h PRO 60 Cb 0.93 0.07 0.03 0.00 0.13 0.00 0.00 31.00 32.16 1ujo h PRO 60 CO 0.02 -0.19 0.23 0.08 -0.23 0.00 0.00 178.00 177.90 1ujo s VAL 61 N -2.52 4.78 -0.38 1.56 1.01 -1.26 -5.05 120.40 118.54 1ujo s VAL 61 Ca -0.04 0.62 -0.09 0.00 0.00 0.00 0.00 61.98 62.46 1ujo s VAL 61 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1ujo s VAL 61 CO 0.13 -0.82 0.21 -0.54 0.00 0.00 0.00 175.10 174.08 1ujo s LYS 62 N -4.54 2.68 -0.37 2.72 3.01 -1.26 -4.99 119.74 116.99 1ujo s LYS 62 Ca 0.52 -1.26 -0.28 0.00 -1.01 0.00 0.00 55.97 53.94 1ujo s LYS 62 Cb -0.10 -3.69 0.02 0.00 -1.01 0.00 0.00 37.83 33.04 1ujo s LYS 62 CO 0.42 -0.80 1.05 0.08 0.51 0.00 0.00 175.35 176.61 1ujo s VAL 63 N 1.47 4.45 0.38 3.17 1.01 -1.26 -5.02 120.40 124.59 1ujo s VAL 63 Ca 0.02 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.39 1ujo s VAL 63 Cb -0.21 -4.45 0.09 0.00 0.00 0.00 0.00 36.38 31.82 1ujo s VAL 63 CO 0.04 -0.63 0.43 -0.81 0.00 0.00 0.00 175.10 174.12 1ujo n PRO 64 N 7.10 -1.09 0.01 2.72 -0.04 -1.26 -5.02 135.00 137.42 1ujo n PRO 64 Ca 0.11 -0.67 -0.07 0.00 -0.04 0.00 0.00 63.50 62.83 1ujo n PRO 64 Cb 0.48 -0.52 -0.05 0.00 -0.04 0.00 0.00 33.50 33.36 1ujo n PRO 64 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ujo h GLU 65 N 0.00 -0.13 -5.43 0.54 4.57 -2.06 -3.47 114.58 108.60 1ujo h GLU 65 Ca -0.15 0.01 -0.42 0.00 -1.18 0.00 0.00 59.36 57.62 1ujo h GLU 65 Cb 0.43 0.03 -0.19 0.00 -0.16 0.00 0.00 28.75 28.85 1ujo h GLU 65 CO 0.10 0.22 -0.77 0.54 -1.18 0.00 0.00 179.01 177.92 1ujo s ASN 66 N -5.58 1.94 0.19 1.04 2.20 -1.26 -5.13 114.94 108.34 1ujo s ASN 66 Ca -0.09 -0.76 -0.30 0.00 -0.94 0.00 0.00 52.86 50.78 1ujo s ASN 66 Cb -0.00 -0.07 -0.08 0.00 -2.00 0.00 0.00 41.25 39.10 1ujo s ASN 66 CO 0.31 -0.12 1.11 -2.16 -2.94 0.00 0.00 177.10 173.30 1ujo s PRO 67 N -2.40 4.59 0.90 3.55 0.04 -1.26 -5.04 135.00 135.38 1ujo s PRO 67 Ca 0.06 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1ujo s PRO 67 Cb -0.06 -3.26 0.22 0.00 0.04 0.00 0.00 34.50 31.43 1ujo s PRO 67 CO 0.03 0.08 0.99 -0.35 0.04 0.00 0.00 177.00 177.79 1ujo n PRO 68 N 2.21 -1.89 0.00 0.56 -0.04 -1.26 -5.04 135.00 129.53 1ujo n PRO 68 Ca 0.02 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1ujo n PRO 68 Cb 0.46 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -4.11 3.79 -4.08 3.54 2.88 -1.26 -4.91 113.62 109.48 1ujo n SER 69 Ca 0.13 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.31 1ujo n SER 69 Cb 0.48 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.49 -0.18 -0.04 -1.46 2.81 -1.26 -4.79 117.12 109.70 1ujo n MET 70 Ca 0.00 -0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.84 1ujo n MET 70 Cb 0.49 -1.18 -0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 -1.17 0.00 -0.94 2.03 2.07 -1.98 -2.95 116.25 113.30 1ujo h VAL 71 Ca -0.43 -0.64 0.23 0.00 0.82 0.00 0.00 66.70 66.68 1ujo h VAL 71 Cb 1.33 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.93 1ujo h VAL 71 CO 0.25 0.00 -0.08 0.49 0.02 0.00 0.00 177.57 178.25 1ujo n PHE 72 N -3.78 0.50 0.24 1.57 3.01 -1.26 0.78 117.46 118.52 1ujo n PHE 72 Ca -0.01 1.14 -0.09 0.00 1.01 0.00 0.00 57.45 59.50 1ujo n PHE 72 Cb 0.04 -1.15 -0.04 0.00 -0.01 0.00 0.00 39.48 38.32 1ujo n PHE 72 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ujo h LYS 73 N 0.00 -0.58 -0.62 -1.08 1.57 -1.95 0.67 116.57 114.58 1ujo h LYS 73 Ca 0.53 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.44 1ujo h LYS 73 Cb 0.99 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.33 1ujo h LYS 73 CO -0.92 -0.39 -0.45 1.96 -0.57 0.00 0.00 179.45 179.08 1ujo h GLN 74 N -0.63 -0.20 -0.43 3.15 4.20 -0.76 0.93 115.11 121.36 1ujo h GLN 74 Ca -0.06 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.75 1ujo h GLN 74 Cb 0.46 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 1ujo h GLN 74 CO 0.10 -0.13 -0.19 0.52 -0.67 0.00 0.00 178.83 178.45 1ujo h MET 75 N -0.21 -0.10 0.42 1.46 2.86 0.38 -1.54 114.93 118.19 1ujo h MET 75 Ca 0.18 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1ujo h MET 75 Cb 0.56 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ujo h MET 75 CO -0.72 -0.07 -0.20 0.93 1.06 0.00 0.00 176.91 177.91 1ujo h GLU 76 N -0.11 -0.54 -0.99 1.72 5.08 0.13 -1.43 114.58 118.45 1ujo h GLU 76 Ca 0.21 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.87 1ujo h GLU 76 Cb 0.43 0.12 -0.19 0.00 0.50 0.00 0.00 28.75 29.61 1ujo h GLU 76 CO -0.50 -0.35 0.01 0.94 -1.00 0.00 0.00 179.01 178.11 1ujo n GLN 77 N -5.32 -0.08 0.31 2.33 -0.06 0.30 -0.08 117.38 114.77 1ujo n GLN 77 Ca -0.11 1.49 -0.15 0.00 -2.00 0.00 0.00 57.00 56.23 1ujo n GLN 77 Cb 0.24 -2.36 -0.08 0.00 -4.06 0.00 0.00 30.24 23.99 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 0.25 -0.98 1.69 2.07 -0.97 -2.95 116.25 115.36 1ujo h VAL 78 Ca 0.60 -0.34 0.27 0.00 0.82 0.00 0.00 66.70 68.04 1ujo h VAL 78 Cb 1.21 0.34 -0.18 0.00 -1.52 0.00 0.00 31.29 31.14 1ujo h VAL 78 CO -0.94 0.03 0.02 0.00 0.02 0.00 0.00 177.57 176.71 1ujo h ALA 79 N -0.86 1.15 -0.64 1.67 0.00 0.61 1.59 119.26 122.77 1ujo h ALA 79 Ca -0.08 0.34 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1ujo h ALA 79 Cb 0.67 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1ujo h ALA 79 CO 0.13 -0.56 0.19 1.96 0.00 0.00 0.00 179.25 180.97 1ujo h GLN 80 N 0.01 0.33 -0.11 0.00 4.20 -0.45 -0.33 115.11 118.76 1ujo h GLN 80 Ca 0.59 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.23 1ujo h GLN 80 Cb 1.21 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 1ujo h GLN 80 CO -0.92 0.22 -0.15 0.35 -0.67 0.00 0.00 178.83 177.66 1ujo h PHE 81 N 0.34 0.35 -0.57 2.96 3.57 0.22 -2.43 116.94 121.38 1ujo h PHE 81 Ca 0.34 -0.12 0.10 0.00 3.53 0.00 0.00 57.97 61.83 1ujo h PHE 81 Cb 0.49 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 39.05 1ujo h PHE 81 CO -0.21 0.74 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.23 1ujo h LEU 82 N -0.13 -1.06 -0.94 0.59 3.38 0.44 1.39 115.31 118.98 1ujo h LEU 82 Ca 0.01 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1ujo h LEU 82 Cb 0.70 0.54 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1ujo h LEU 82 CO 0.03 -0.29 0.61 0.50 0.09 0.00 0.00 178.44 179.39 1ujo h LYS 83 N -0.15 1.18 -0.77 1.13 3.64 -1.11 -0.92 116.57 119.58 1ujo h LYS 83 Ca 0.24 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1ujo h LYS 83 Cb 0.54 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1ujo h LYS 83 CO -0.66 0.78 0.34 0.00 -2.27 0.00 0.00 179.45 177.65 1ujo h ALA 84 N 1.37 0.99 0.30 5.00 0.00 0.51 -0.67 119.26 126.75 1ujo h ALA 84 Ca 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ujo h ALA 84 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ujo h ALA 84 CO -0.11 0.58 -0.24 0.00 0.00 0.00 0.00 179.25 179.48 1ujo h ALA 85 N 1.18 -0.53 -0.70 0.00 0.00 0.28 -1.28 119.26 118.20 1ujo h ALA 85 Ca 0.26 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1ujo h ALA 85 Cb 0.16 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1ujo h ALA 85 CO -0.03 -0.82 0.46 1.49 0.00 0.00 0.00 179.25 180.35 1ujo h GLU 86 N -0.54 0.55 -0.36 0.00 4.81 -0.97 -0.66 114.58 117.40 1ujo h GLU 86 Ca -0.02 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1ujo h GLU 86 Cb 0.48 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1ujo h GLU 86 CO -0.02 0.37 0.22 0.22 -0.73 0.00 0.00 179.01 179.07 1ujo h ASP 87 N 0.57 0.37 -0.25 1.04 1.82 -0.17 -2.81 116.42 116.99 1ujo h ASP 87 Ca 0.32 -0.00 0.06 0.00 -0.39 0.00 0.00 57.03 57.02 1ujo h ASP 87 Cb 0.50 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.35 1ujo h ASP 87 CO -0.11 0.27 -0.35 0.22 -1.61 0.00 0.00 179.24 177.66 1ujo h TYR 88 N 0.45 -0.99 0.00 0.28 3.20 -0.03 -3.45 116.97 116.44 1ujo h TYR 88 Ca 0.14 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1ujo h TYR 88 Cb -0.02 0.47 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1ujo h TYR 88 CO -0.07 -0.41 0.00 0.41 -1.64 0.00 0.00 178.16 176.45 1ujo n GLY 89 N -1.42 0.00 3.79 1.82 0.00 -1.06 -5.13 105.19 103.20 1ujo n GLY 89 Ca -0.02 0.00 -0.37 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 5.28 1.30 1.61 1.01 -1.20 -4.97 120.40 123.42 1ujo s VAL 90 Ca 0.00 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1ujo s VAL 90 Cb 0.00 -3.60 0.32 0.00 0.00 0.00 0.00 36.38 33.10 1ujo s VAL 90 CO 0.00 0.50 0.85 2.30 0.00 0.00 0.00 175.10 178.75 1ujo n ILE 91 N 2.70 0.00 0.96 2.22 -5.35 -1.26 -4.70 119.36 113.93 1ujo n ILE 91 Ca -0.14 -0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.17 1ujo n ILE 91 Cb 0.53 -0.95 0.18 0.00 -1.74 0.00 0.00 39.64 37.66 1ujo n ILE 91 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ujo n LYS 92 N -5.00 0.03 -0.13 6.28 5.02 -1.26 -3.59 118.16 119.51 1ujo n LYS 92 Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 1ujo n LYS 92 Cb 0.56 -1.51 0.25 0.00 -0.02 0.00 0.00 35.03 34.31 1ujo n LYS 92 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ujo n THR 93 N -1.55 0.35 -0.02 -0.18 -2.24 -1.26 -3.92 114.28 105.46 1ujo n THR 93 Ca 0.05 -0.60 0.04 0.00 -2.27 0.00 0.00 64.05 61.27 1ujo n THR 93 Cb 0.34 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ujo n ASP 94 N 1.15 2.08 -4.71 3.42 8.00 -1.24 -4.97 116.55 120.28 1ujo n ASP 94 Ca 0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 1ujo n ASP 94 Cb 0.53 1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 43.03 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 -2.77 4.31 0.56 -1.24 -1.94 -1.25 -2.01 119.30 114.97 1ujo s MET 95 Ca -0.05 2.07 0.07 0.00 -1.71 0.00 0.00 55.69 56.07 1ujo s MET 95 Cb 0.07 -3.30 0.06 0.00 2.01 0.00 0.00 34.83 33.67 1ujo s MET 95 CO 0.52 -0.46 0.52 -0.59 -0.01 0.00 0.00 175.02 175.00 1ujo s PHE 96 N 1.31 1.50 -0.11 -0.03 -0.12 -1.26 -5.00 117.98 114.27 1ujo s PHE 96 Ca 0.65 -0.83 -0.13 0.00 -0.05 0.00 0.00 56.93 56.57 1ujo s PHE 96 Cb -0.36 -1.99 -0.05 0.00 -0.63 0.00 0.00 43.02 39.99 1ujo s PHE 96 CO 0.30 -0.70 0.32 -0.65 -0.05 0.00 0.00 175.22 174.44 1ujo s GLN 97 N -4.40 4.07 0.32 1.99 -0.21 -1.26 -4.96 119.66 115.21 1ujo s GLN 97 Ca 0.41 0.17 0.12 0.00 0.02 0.00 0.00 55.36 56.09 1ujo s GLN 97 Cb -0.03 -3.34 1.03 0.00 1.00 0.00 0.00 33.01 31.67 1ujo s GLN 97 CO 0.26 0.42 1.47 2.41 -2.12 0.00 0.00 175.29 177.73 1ujo n THR 98 N 2.92 -0.39 0.12 -0.19 -1.04 -1.26 0.16 114.28 114.60 1ujo n THR 98 Ca -0.13 1.95 -0.14 0.00 -2.04 0.00 0.00 64.05 63.70 1ujo n THR 98 Cb 0.52 -3.04 -0.08 0.00 -1.82 0.00 0.00 70.33 65.92 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 0.86 -1.65 12.58 3.04 -1.95 1.59 116.25 130.73 1ujo h VAL 99 Ca 0.70 -0.27 0.50 0.00 -1.01 0.00 0.00 66.70 66.62 1ujo h VAL 99 Cb 1.71 1.03 -0.09 0.00 -2.01 0.00 0.00 31.29 31.93 1ujo h VAL 99 CO -0.78 0.06 1.15 0.47 -1.01 0.00 0.00 177.57 177.46 1ujo n ASP 100 N -5.14 0.07 -0.04 3.17 8.00 0.42 0.17 116.55 123.19 1ujo n ASP 100 Ca -0.09 1.04 -0.04 0.00 0.71 0.00 0.00 54.79 56.41 1ujo n ASP 100 Cb 0.17 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1ujo n ASP 100 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ujo n LEU 101 N -4.03 0.87 -0.32 0.64 7.94 -0.79 -1.14 117.00 120.17 1ujo n LEU 101 Ca 0.40 0.15 0.05 0.00 -1.11 0.00 0.00 56.01 55.50 1ujo n LEU 101 Cb 1.73 -0.59 0.14 0.00 0.53 0.00 0.00 43.42 45.23 1ujo n LEU 101 CO 0.33 -0.41 0.70 0.22 -1.11 0.00 0.00 177.39 177.13 1ujo h TYR 102 N -0.44 -0.41 -0.57 1.96 3.20 0.31 1.05 116.97 122.07 1ujo h TYR 102 Ca 0.00 0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 1ujo h TYR 102 Cb 0.44 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 38.94 1ujo h TYR 102 CO -0.19 -0.38 0.15 0.39 -1.64 0.00 0.00 178.16 176.48 1ujo n GLU 103 N -5.56 3.34 -2.92 1.82 -0.58 0.45 -4.92 120.64 112.27 1ujo n GLU 103 Ca 0.15 -3.05 -0.17 0.00 -0.42 0.00 0.00 57.16 53.66 1ujo n GLU 103 Cb 0.49 -2.08 -0.03 0.00 -0.57 0.00 0.00 31.44 29.25 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 -0.34 -0.33 0.25 0.62 0.00 0.36 -4.71 105.19 101.05 1ujo n GLY 104 Ca 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.34 0.66 -2.41 1.61 1.57 -1.00 -3.38 116.57 113.28 1ujo h LYS 105 Ca -0.24 -0.04 -0.44 0.00 -1.87 0.00 0.00 60.65 58.06 1ujo h LYS 105 Cb 0.89 -0.15 -0.36 0.00 0.08 0.00 0.00 32.23 32.69 1ujo h LYS 105 CO 0.36 0.44 -0.72 -0.51 -0.57 0.00 0.00 179.45 178.44 1ujo s ASP 106 N -5.61 2.46 0.17 0.86 1.01 -0.58 -4.95 116.67 110.04 1ujo s ASP 106 Ca -0.13 -1.23 -0.08 0.00 0.71 0.00 0.00 52.55 51.83 1ujo s ASP 106 Cb 0.15 0.09 0.06 0.00 1.01 0.00 0.00 42.92 44.23 1ujo s ASP 106 CO 0.75 -0.38 1.54 0.24 0.21 0.00 0.00 175.17 177.53 1ujo h MET 107 N 8.02 0.84 -0.96 8.23 2.86 -1.74 -2.89 114.93 129.29 1ujo h MET 107 Ca -0.11 -0.41 0.23 0.00 -2.06 0.00 0.00 59.70 57.35 1ujo h MET 107 Cb 1.04 -0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.57 1ujo h MET 107 CO 0.35 1.05 0.52 0.00 1.06 0.00 0.00 176.91 179.89 1ujo h ALA 108 N 0.91 1.64 0.28 6.32 0.00 -1.94 0.07 119.26 126.54 1ujo h ALA 108 Ca 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ujo h ALA 108 Cb 0.89 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ujo h ALA 108 CO 0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 179.25 178.93 1ujo h ALA 109 N 1.71 -0.38 -1.53 0.00 0.00 -1.90 -2.24 119.26 114.92 1ujo h ALA 109 Ca 0.60 -0.19 0.50 0.00 0.00 0.00 0.00 54.91 55.82 1ujo h ALA 109 Cb 1.11 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1ujo h ALA 109 CO -0.48 -0.53 1.02 0.28 0.00 0.00 0.00 179.25 179.55 1ujo n VAL 110 N -5.10 -0.18 -0.01 0.00 0.31 -0.08 0.13 118.33 113.41 1ujo n VAL 110 Ca -0.09 1.69 -0.11 0.00 -0.01 0.00 0.00 64.34 65.82 1ujo n VAL 110 Cb 0.26 -2.79 -0.09 0.00 -0.91 0.00 0.00 33.84 30.31 1ujo n VAL 110 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ujo h GLN 111 N 0.00 -0.08 -1.47 5.55 4.20 -1.04 -3.03 115.11 119.23 1ujo h GLN 111 Ca 0.89 0.01 0.49 0.00 0.06 0.00 0.00 58.65 60.10 1ujo h GLN 111 Cb 3.06 0.02 -0.13 0.00 0.30 0.00 0.00 27.48 30.73 1ujo h GLN 111 CO -0.33 0.51 0.97 -0.09 -0.67 0.00 0.00 178.83 179.21 1ujo h ARG 112 N -0.84 0.00 0.26 1.46 2.43 0.17 1.19 114.38 119.06 1ujo h ARG 112 Ca -0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ujo h ARG 112 Cb 0.63 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1ujo h ARG 112 CO 0.01 0.00 -0.12 1.15 -1.51 0.00 0.00 179.97 179.50 1ujo h THR 113 N 0.00 0.00 -0.55 0.20 2.02 -0.75 -3.16 112.91 110.67 1ujo h THR 113 Ca 0.89 -0.40 0.10 0.00 0.77 0.00 0.00 66.41 67.78 1ujo h THR 113 Cb 2.98 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 69.31 1ujo h THR 113 CO -0.41 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 175.50 1ujo h LEU 114 N -0.75 -0.06 -1.81 2.58 3.38 -0.61 0.35 115.31 118.39 1ujo h LEU 114 Ca -0.04 0.11 0.33 0.00 0.09 0.00 0.00 57.88 58.37 1ujo h LEU 114 Cb 0.27 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1ujo h LEU 114 CO 0.06 -0.01 0.93 0.24 0.09 0.00 0.00 178.44 179.75 1ujo h MET 115 N 0.21 0.00 0.00 1.13 2.86 0.12 0.25 114.93 119.51 1ujo h MET 115 Ca 0.29 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1ujo h MET 115 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1ujo h MET 115 CO -0.39 0.00 -0.49 0.00 1.06 0.00 0.00 176.91 177.08 1ujo h ALA 116 N 1.19 0.07 -0.35 6.32 0.00 -0.31 -3.15 119.26 123.03 1ujo h ALA 116 Ca 0.53 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ujo h ALA 116 Cb 2.39 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 20.46 1ujo h ALA 116 CO -0.01 0.34 -0.53 1.25 0.00 0.00 0.00 179.25 180.30 1ujo h LEU 117 N -1.00 -1.76 -0.04 0.00 5.85 0.18 0.64 115.31 119.18 1ujo h LEU 117 Ca -0.10 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ujo h LEU 117 Cb 0.72 0.71 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1ujo h LEU 117 CO -0.06 -0.40 -0.13 1.23 -0.34 0.00 0.00 178.44 178.75 1ujo h GLY 118 N -0.41 -1.50 -0.59 3.75 0.00 -0.80 0.40 103.07 103.92 1ujo h GLY 118 Ca 0.06 0.70 0.25 0.00 0.00 0.00 0.00 47.33 48.34 1ujo h GLY 118 CO -0.54 -0.52 0.19 0.23 0.00 0.00 0.00 176.54 175.90 1ujo h SER 119 N -0.13 -0.11 -0.51 0.19 0.87 -1.43 0.93 113.55 113.36 1ujo h SER 119 Ca 0.01 0.22 0.09 0.00 -1.23 0.00 0.00 61.79 60.88 1ujo h SER 119 Cb 0.15 0.32 -0.07 0.00 -0.44 0.00 0.00 62.40 62.36 1ujo h SER 119 CO -0.11 -0.22 0.11 -0.07 -0.53 0.00 0.00 176.83 176.02 1ujo h LEU 120 N 0.14 0.02 -0.77 2.23 3.38 0.16 1.34 115.31 121.81 1ujo h LEU 120 Ca 0.57 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.56 1ujo h LEU 120 Cb 1.19 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1ujo h LEU 120 CO -0.72 0.04 0.13 0.00 0.09 0.00 0.00 178.44 177.98 1ujo h ALA 121 N 1.40 0.99 0.01 1.53 0.00 0.28 -2.22 119.26 121.24 1ujo h ALA 121 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ujo h ALA 121 Cb 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ujo h ALA 121 CO -0.33 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 179.84 1ujo h VAL 122 N 1.01 1.17 -0.37 0.00 2.07 0.15 -2.54 116.25 117.74 1ujo h VAL 122 Ca 0.21 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1ujo h VAL 122 Cb 0.39 1.53 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 1ujo h VAL 122 CO 0.01 0.14 -0.39 0.74 0.02 0.00 0.00 177.57 178.08 1ujo h THR 123 N -0.24 0.15 -0.27 2.57 2.02 0.19 -1.50 112.91 115.82 1ujo h THR 123 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1ujo h THR 123 Cb 0.24 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.72 1ujo h THR 123 CO 0.00 0.00 -0.48 0.11 0.37 0.00 0.00 175.52 175.52 1ujo h LYS 124 N -0.32 -0.43 -6.80 6.66 1.57 -1.35 -3.45 116.57 112.45 1ujo h LYS 124 Ca 0.14 0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 58.43 1ujo h LYS 124 Cb 0.57 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ujo h LYS 124 CO -0.54 -0.29 -1.07 -1.71 -0.57 0.00 0.00 179.45 175.27 1ujo n ASN 125 N -5.42 -4.66 0.00 0.86 5.15 -0.57 -4.86 115.26 105.77 1ujo n ASN 125 Ca -0.03 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 1ujo n ASN 125 Cb 0.36 -1.69 0.00 0.00 -0.53 0.00 0.00 39.78 37.92 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 -2.49 0.80 0.00 1.20 -0.08 -1.26 -5.08 116.55 109.65 1ujo n ASP 126 Ca -0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 1ujo n ASP 126 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 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 2.32 -0.70 1.73 0.27 0.00 -1.26 -5.11 105.19 102.45 1ujo n GLY 127 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.12 -2.24 1.61 3.02 -1.26 -5.12 115.26 111.39 1ujo n ASN 128 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1ujo n ASN 128 Cb 0.00 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1ujo n ASN 128 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujo n TYR 129 N -3.18 -2.66 -2.26 3.10 4.11 -1.26 -4.63 117.16 110.37 1ujo n TYR 129 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1ujo n TYR 129 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.38 1ujo n TYR 129 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1ujo n ARG 130 N -0.68 0.22 -4.89 -3.48 5.12 -1.26 -5.06 116.66 106.64 1ujo n ARG 130 Ca 0.00 -1.98 -0.32 0.00 -1.93 0.00 0.00 57.85 53.62 1ujo n ARG 130 Cb 0.00 -0.32 -0.13 0.00 -1.16 0.00 0.00 32.46 30.84 1ujo n ARG 130 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ujo s GLY 131 N -1.98 1.50 0.67 -0.13 0.00 -1.26 -4.71 107.32 101.41 1ujo s GLY 131 Ca 0.28 -1.06 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 1ujo s GLY 131 CO -0.12 -0.89 0.84 1.22 0.00 0.00 0.00 173.10 174.15 1ujo n ASP 132 N 2.10 0.12 0.12 1.64 8.00 -1.26 -4.90 116.55 122.36 1ujo n ASP 132 Ca -0.17 0.70 -0.02 0.00 0.71 0.00 0.00 54.79 56.02 1ujo n ASP 132 Cb 0.52 -1.34 0.09 0.00 -0.02 0.00 0.00 41.12 40.37 1ujo n ASP 132 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ujo h PRO 133 N 0.02 0.00 -2.04 -0.24 0.13 -1.97 -3.26 132.00 124.64 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 1.35 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 1ujo h PRO 133 CO 0.47 0.71 0.09 0.09 -0.23 0.00 0.00 178.00 179.13 1ujo n ASN 134 N -3.62 5.89 -0.00 1.44 3.02 -1.26 -3.65 115.26 117.07 1ujo n ASN 134 Ca -0.01 -2.79 -0.01 0.00 -0.03 0.00 0.00 54.58 51.74 1ujo n ASN 134 Cb 0.71 -1.35 -0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 1.84 0.00 -3.34 3.10 7.02 -1.23 -4.92 117.44 119.92 1ujo n TRP 135 Ca 0.47 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.69 1ujo n TRP 135 Cb 0.74 -0.03 -0.09 0.00 -2.42 0.00 0.00 31.31 29.51 1ujo n TRP 135 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1ujo n PHE 136 N -2.77 -0.53 -3.58 -5.99 3.72 -1.24 -5.04 117.46 102.02 1ujo n PHE 136 Ca -0.02 -3.44 -0.35 0.00 -0.05 0.00 0.00 57.45 53.60 1ujo n PHE 136 Cb 0.51 0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 1ujo n PHE 136 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1ujo s MET 137 N -0.47 3.75 0.02 -1.08 -1.94 -1.26 -4.04 119.30 114.28 1ujo s MET 137 Ca 0.34 0.16 -0.11 0.00 -1.71 0.00 0.00 55.69 54.37 1ujo s MET 137 Cb 0.08 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.93 1ujo s MET 137 CO -0.16 0.56 0.22 0.21 -0.01 0.00 0.00 175.02 175.84 1ujo s LYS 138 N -1.91 0.64 0.11 2.03 2.20 -1.26 -5.08 119.74 116.47 1ujo s LYS 138 Ca 0.33 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1ujo s LYS 138 Cb -0.14 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1ujo s LYS 138 CO 0.18 -0.18 0.00 0.45 -0.36 0.00 0.00 175.35 175.44 1ujo n SER 139 N 1.02 1.03 0.00 1.43 2.88 -1.26 -5.12 113.62 113.60 1ujo n SER 139 Ca -0.21 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1ujo n SER 139 Cb 0.57 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1ujo n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 140 N 3.40 -0.88 3.58 0.46 0.00 -1.26 -5.05 105.19 105.44 1ujo n GLY 140 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.74 3.24 0.11 1.61 0.04 -1.26 -4.80 135.00 133.20 1ujo s PRO 141 Ca 0.00 -1.47 -0.32 0.00 0.04 0.00 0.00 61.00 59.25 1ujo s PRO 141 Cb 0.00 -5.37 -0.11 0.00 0.04 0.00 0.00 34.50 29.06 1ujo s PRO 141 CO 0.00 -3.05 1.57 0.77 0.04 0.00 0.00 177.00 176.33 1ujo h SER 142 N 8.90 -1.41 0.00 6.66 0.02 -2.06 -3.46 113.55 122.20 1ujo h SER 142 Ca 0.31 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1ujo h SER 142 Cb 0.92 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1ujo h SER 142 CO 1.34 -0.51 0.00 -0.24 -1.14 0.00 0.00 176.83 176.29 1ujo n SER 143 N -5.47 -1.13 0.00 3.07 2.88 -1.26 -5.28 113.62 106.43 1ujo n SER 143 Ca -0.07 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ujo n SER 143 Cb 0.39 1.35 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42