#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 0.09 -0.25 1.61 1.04 -1.26 -4.84 113.70 110.09 1ujo s SER 2 Ca 0.00 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 1ujo s SER 2 Cb 0.00 0.77 0.07 0.00 0.10 0.00 0.00 66.02 66.96 1ujo s SER 2 CO 0.00 -1.51 0.02 -0.55 0.98 0.00 0.00 173.24 172.18 1ujo s SER 3 N -3.06 3.67 0.00 7.02 0.15 -1.26 -4.79 113.70 115.42 1ujo s SER 3 Ca 0.18 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.58 1ujo s SER 3 Cb -0.04 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1ujo s SER 3 CO 0.12 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ujo n GLY 4 N 4.80 2.33 1.09 9.45 0.00 -1.26 -4.97 105.19 116.63 1ujo n GLY 4 Ca -0.08 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1ujo n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujo n SER 5 N 5.48 -6.36 -3.79 1.61 3.41 -1.26 -4.95 113.62 107.76 1ujo n SER 5 Ca 0.00 0.88 -0.17 0.00 -0.26 0.00 0.00 58.87 59.32 1ujo n SER 5 Cb 0.00 -3.60 -0.16 0.00 -0.26 0.00 0.00 64.21 60.19 1ujo n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujo s SER 6 N -6.62 0.52 0.26 4.04 0.01 -1.26 -5.04 113.70 105.60 1ujo s SER 6 Ca 0.00 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1ujo s SER 6 Cb 0.00 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1ujo s SER 6 CO 0.00 -0.12 0.12 0.61 0.41 0.00 0.00 173.24 174.26 1ujo n GLY 7 N 4.32 3.47 3.35 3.44 0.00 -1.26 -2.75 105.19 115.76 1ujo n GLY 7 Ca -0.23 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.57 -0.09 -0.21 1.61 4.71 -1.26 -4.56 120.64 120.27 1ujo n GLU 8 Ca -0.02 0.01 -0.06 0.00 -0.01 0.00 0.00 57.16 57.08 1ujo n GLU 8 Cb 0.41 -1.68 0.09 0.00 -1.01 0.00 0.00 31.44 29.25 1ujo n GLU 8 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1ujo h GLU 9 N -1.14 1.04 -0.20 3.49 4.81 -2.00 0.25 114.58 120.83 1ujo h GLU 9 Ca -0.44 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.39 1ujo h GLU 9 Cb 1.30 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ujo h GLU 9 CO 0.34 0.94 -0.43 1.25 -0.73 0.00 0.00 179.01 180.38 1ujo h LEU 10 N 0.99 0.73 0.37 1.64 5.85 -2.00 -3.21 115.31 119.68 1ujo h LEU 10 Ca 0.20 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1ujo h LEU 10 Cb 0.39 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1ujo h LEU 10 CO 0.01 1.15 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.75 1ujo h GLU 11 N 0.33 -0.48 -0.94 1.25 5.08 -1.84 -2.33 114.58 115.66 1ujo h GLU 11 Ca 0.00 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.70 1ujo h GLU 11 Cb 1.04 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.22 1ujo h GLU 11 CO 0.10 -0.27 0.19 0.39 -1.00 0.00 0.00 179.01 178.41 1ujo n GLU 12 N -5.27 -0.07 0.17 2.33 -0.58 0.87 0.58 120.64 118.67 1ujo n GLU 12 Ca -0.11 1.36 -0.14 0.00 -0.42 0.00 0.00 57.16 57.86 1ujo n GLU 12 Cb 0.24 -2.26 -0.08 0.00 -0.57 0.00 0.00 31.44 28.77 1ujo n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ujo h ARG 13 N 0.00 -0.43 -0.56 3.49 -0.00 -1.48 0.16 114.38 115.56 1ujo h ARG 13 Ca 0.65 0.03 0.06 0.00 -0.50 0.00 0.00 59.98 60.21 1ujo h ARG 13 Cb 1.49 0.10 -0.09 0.00 0.00 0.00 0.00 29.97 31.47 1ujo h ARG 13 CO -0.82 -0.13 -0.55 -0.07 0.00 0.00 0.00 179.97 178.40 1ujo h LEU 14 N -0.74 -1.90 -0.03 3.04 3.38 0.68 0.58 115.31 120.32 1ujo h LEU 14 Ca -0.05 0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1ujo h LEU 14 Cb 0.50 0.80 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1ujo h LEU 14 CO 0.07 -0.35 -0.13 0.58 0.09 0.00 0.00 178.44 178.71 1ujo h VAL 15 N -0.28 0.67 -0.65 1.22 2.07 -1.02 0.32 116.25 118.59 1ujo h VAL 15 Ca 0.09 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.80 1ujo h VAL 15 Cb 0.53 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1ujo h VAL 15 CO -0.68 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.24 1ujo h GLU 16 N -0.20 0.00 0.00 1.57 4.39 0.13 0.61 114.58 121.08 1ujo h GLU 16 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ujo h GLU 16 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ujo h GLU 16 CO -0.15 0.00 -0.19 2.35 -1.16 0.00 0.00 179.01 179.86 1ujo h TRP 17 N 0.00 0.00 -0.58 4.33 7.01 0.25 -3.17 115.95 123.79 1ujo h TRP 17 Ca 0.31 0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.48 1ujo h TRP 17 Cb 1.62 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.65 1ujo h TRP 17 CO 0.00 0.00 0.75 0.82 -2.79 0.00 0.00 178.44 177.22 1ujo h ILE 18 N -0.89 0.17 0.19 2.65 2.04 0.80 0.83 117.51 123.30 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 0.19 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ujo h ILE 18 CO 0.00 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.64 1ujo h VAL 19 N 0.00 0.88 -0.48 1.67 2.07 0.07 0.47 116.25 120.94 1ujo h VAL 19 Ca 0.27 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 1ujo h VAL 19 Cb 1.77 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1ujo h VAL 19 CO -0.00 0.19 -0.22 -0.37 0.02 0.00 0.00 177.57 177.19 1ujo h VAL 20 N -0.74 1.27 0.09 2.57 -1.51 0.08 1.62 116.25 119.62 1ujo h VAL 20 Ca -0.03 -1.38 -0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1ujo h VAL 20 Cb 0.51 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1ujo h VAL 20 CO 0.04 0.48 -0.05 1.56 -1.23 0.00 0.00 177.57 178.38 1ujo h GLN 21 N 0.86 -0.12 0.29 5.19 1.08 0.32 -3.32 115.11 119.42 1ujo h GLN 21 Ca 0.11 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1ujo h GLN 21 Cb 0.80 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1ujo h GLN 21 CO 0.07 -0.08 -0.14 0.00 -0.95 0.00 0.00 178.83 177.73 1ujo n GLY 23 N -0.29 0.08 2.29 0.00 0.00 0.55 -4.77 105.19 103.04 1ujo n GLY 23 Ca -0.09 -2.30 -0.18 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 -0.83 2.10 0.01 1.61 -0.04 -1.26 -3.38 135.00 133.22 1ujo n PRO 24 Ca 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1ujo n PRO 24 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.24 0.06 0.20 3.54 8.00 -1.26 -4.77 116.55 125.57 1ujo n ASP 25 Ca 0.45 0.04 0.05 0.00 0.71 0.00 0.00 54.79 56.03 1ujo n ASP 25 Cb 0.45 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.02 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 1.15 0.00 2.53 -1.51 -1.90 -3.48 116.25 113.04 1ujo h VAL 26 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1ujo h VAL 26 Cb 0.49 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1ujo h VAL 26 CO 0.00 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.15 1ujo n GLY 27 N -0.95 -0.38 3.20 5.19 0.00 -1.26 -4.97 105.19 106.01 1ujo n GLY 27 Ca -0.02 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 0.91 0.86 1.61 3.52 -1.26 -4.86 118.95 119.72 1ujo s ARG 28 Ca 0.00 -1.32 -0.12 0.00 -0.13 0.00 0.00 55.73 54.16 1ujo s ARG 28 Cb 0.00 -0.43 0.10 0.00 -1.56 0.00 0.00 34.95 33.06 1ujo s ARG 28 CO 0.00 0.04 1.12 -1.25 -0.81 0.00 0.00 175.30 174.40 1ujo s PRO 29 N -3.51 1.60 0.14 5.12 0.04 -1.26 -4.24 135.00 132.89 1ujo s PRO 29 Ca 0.12 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 1ujo s PRO 29 Cb 0.02 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1ujo s PRO 29 CO -0.02 -1.92 0.17 -0.25 0.04 0.00 0.00 177.00 175.03 1ujo n ASP 30 N -3.60 -0.19 -4.08 6.66 9.92 -1.26 -4.61 116.55 119.40 1ujo n ASP 30 Ca 0.07 -0.98 -0.37 0.00 -0.53 0.00 0.00 54.79 52.97 1ujo n ASP 30 Cb 0.58 -0.14 0.03 0.00 -0.64 0.00 0.00 41.12 40.95 1ujo n ASP 30 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ujo n ARG 31 N -1.48 0.00 -2.41 -1.24 1.74 -1.26 -4.29 116.66 107.73 1ujo n ARG 31 Ca 0.02 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 1ujo n ARG 31 Cb 0.08 -0.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.99 1.32 0.00 -0.13 0.00 -1.11 -3.38 107.32 103.03 1ujo s GLY 32 Ca 0.47 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1ujo s GLY 32 CO 0.75 2.63 0.00 0.54 0.00 0.00 0.00 173.10 177.01 1ujo n ARG 33 N 7.51 0.00 0.00 2.90 5.12 -1.26 -4.96 116.66 125.97 1ujo n ARG 33 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1ujo n ARG 33 Cb 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 1ujo n ARG 33 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ujo n LEU 34 N 0.00 0.68 -0.19 0.55 4.77 -1.26 -4.84 117.00 116.71 1ujo n LEU 34 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1ujo n LEU 34 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1ujo n LEU 34 CO 0.00 -0.01 0.33 0.61 -1.33 0.00 0.00 177.39 176.99 1ujo n GLY 35 N 2.19 -0.96 0.43 -0.72 0.00 -1.22 0.14 105.19 105.06 1ujo n GLY 35 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.38 -0.28 1.61 3.57 -1.75 -2.22 116.94 116.50 1ujo h PHE 36 Ca 0.22 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1ujo h PHE 36 Cb 0.35 0.61 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1ujo h PHE 36 CO -0.43 -0.52 -0.17 0.94 -2.23 0.00 0.00 178.31 175.91 1ujo n GLN 37 N -5.45 -0.12 -0.33 1.11 0.00 0.38 0.12 117.38 113.09 1ujo n GLN 37 Ca -0.05 1.12 0.23 0.00 -0.00 0.00 0.00 57.00 58.30 1ujo n GLN 37 Cb 0.38 -1.66 0.44 0.00 0.00 0.00 0.00 30.24 29.40 1ujo n GLN 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ujo h VAL 38 N 0.00 0.03 -0.32 1.69 2.07 -1.31 1.74 116.25 120.15 1ujo h VAL 38 Ca 0.04 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ujo h VAL 38 Cb 0.11 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.81 1ujo h VAL 38 CO -0.26 0.00 -0.18 -0.25 0.02 0.00 0.00 177.57 176.90 1ujo h TRP 39 N 0.03 -0.46 -1.68 1.57 7.01 0.15 -1.22 115.95 121.35 1ujo h TRP 39 Ca 0.72 0.04 -0.70 0.00 2.11 0.00 0.00 58.89 61.07 1ujo h TRP 39 Cb 1.74 0.25 -0.32 0.00 -2.10 0.00 0.00 29.16 28.73 1ujo h TRP 39 CO -0.23 -0.26 0.42 1.28 -2.79 0.00 0.00 178.44 176.85 1ujo n LEU 40 N -5.35 6.59 -0.05 0.65 4.77 0.56 -4.62 117.00 119.54 1ujo n LEU 40 Ca 0.01 -4.89 -0.05 0.00 -0.03 0.00 0.00 56.01 51.05 1ujo n LEU 40 Cb 0.26 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1ujo n LEU 40 CO 0.14 1.89 -0.39 1.17 -1.33 0.00 0.00 177.39 178.87 1ujo n LYS 41 N -0.57 0.30 -0.10 3.23 4.81 0.86 -4.62 118.16 122.08 1ujo n LYS 41 Ca 0.50 0.12 -0.06 0.00 -0.87 0.00 0.00 58.31 58.00 1ujo n LYS 41 Cb 0.44 -1.03 0.01 0.00 0.02 0.00 0.00 35.03 34.47 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 -0.57 -0.52 0.00 3.14 4.21 -1.82 -3.43 115.58 116.58 1ujo h ASN 42 Ca 0.00 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1ujo h ASN 42 Cb 0.57 0.30 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 1ujo h ASN 42 CO 0.00 -0.19 0.00 0.61 -1.29 0.00 0.00 177.43 176.56 1ujo n GLY 43 N -1.34 1.12 0.10 2.83 0.00 -1.26 -3.55 105.19 103.10 1ujo n GLY 43 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.53 -0.93 1.61 2.07 -1.89 -2.75 116.25 114.89 1ujo h VAL 44 Ca 0.00 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1ujo h VAL 44 Cb 0.00 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1ujo h VAL 44 CO 0.00 0.16 0.61 0.40 0.02 0.00 0.00 177.57 178.76 1ujo h ILE 45 N -0.99 1.15 -0.22 4.57 2.04 -1.95 -1.41 117.51 120.70 1ujo h ILE 45 Ca -0.01 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1ujo h ILE 45 Cb 0.37 -0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 1ujo h ILE 45 CO 0.02 0.21 -0.14 -0.07 0.00 0.00 0.00 178.15 178.18 1ujo h LEU 46 N 1.17 -0.45 -0.50 1.44 3.38 -1.87 0.17 115.31 118.65 1ujo h LEU 46 Ca 0.37 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.49 1ujo h LEU 46 Cb 0.01 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1ujo h LEU 46 CO -0.12 -0.17 0.23 0.28 0.09 0.00 0.00 178.44 178.74 1ujo h SER 47 N -0.12 0.31 -0.96 -0.43 0.02 -1.04 -0.35 113.55 110.98 1ujo h SER 47 Ca 0.12 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.25 1ujo h SER 47 Cb 0.31 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.76 1ujo h SER 47 CO -0.30 0.21 0.61 0.11 -1.14 0.00 0.00 176.83 176.32 1ujo h LYS 48 N 0.45 0.84 0.00 3.45 1.57 -0.21 0.31 116.57 122.97 1ujo h LYS 48 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1ujo h LYS 48 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ujo h LYS 48 CO -0.18 0.55 0.00 -0.11 -0.57 0.00 0.00 179.45 179.14 1ujo n LEU 49 N -4.60 0.00 -0.29 2.94 7.94 -0.06 0.18 117.00 123.11 1ujo n LEU 49 Ca 0.18 0.99 0.11 0.00 -1.11 0.00 0.00 56.01 56.18 1ujo n LEU 49 Cb 0.41 -0.49 0.27 0.00 0.53 0.00 0.00 43.42 44.14 1ujo n LEU 49 CO 0.28 -0.49 0.96 1.62 -1.11 0.00 0.00 177.39 178.65 1ujo h VAL 50 N 0.00 0.39 0.25 1.96 3.04 -1.13 0.22 116.25 120.98 1ujo h VAL 50 Ca 0.00 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1ujo h VAL 50 Cb 0.00 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.39 1ujo h VAL 50 CO 0.00 0.05 -0.15 0.78 -1.01 0.00 0.00 177.57 177.24 1ujo h ASN 51 N 0.26 -0.37 -1.04 3.17 2.35 -0.17 -1.88 115.58 117.89 1ujo h ASN 51 Ca 0.52 0.02 0.42 0.00 -0.55 0.00 0.00 56.30 56.71 1ujo h ASN 51 Cb 1.01 0.11 -0.16 0.00 0.05 0.00 0.00 38.32 39.32 1ujo h ASN 51 CO -0.60 -0.24 0.60 -1.54 -1.65 0.00 0.00 177.43 173.99 1ujo n SER 52 N -5.27 0.30 0.00 5.81 3.41 0.48 -1.81 113.62 116.54 1ujo n SER 52 Ca -0.09 1.53 0.00 0.00 -0.26 0.00 0.00 58.87 60.05 1ujo n SER 52 Cb 0.19 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1ujo n SER 52 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ujo n LEU 53 N -5.04 0.90 -3.42 1.04 4.77 -0.73 -4.83 117.00 109.69 1ujo n LEU 53 Ca 0.37 0.30 -0.31 0.00 -0.03 0.00 0.00 56.01 56.34 1ujo n LEU 53 Cb 1.30 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.41 1ujo n LEU 53 CO 0.05 0.00 -0.81 -1.22 -1.33 0.00 0.00 177.39 174.08 1ujo n TYR 54 N -0.45 -3.32 -0.50 -1.77 4.01 -0.75 -4.88 117.16 109.50 1ujo n TYR 54 Ca 0.00 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1ujo n TYR 54 Cb 0.00 -1.30 0.00 0.00 -0.31 0.00 0.00 39.34 37.73 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 1.64 -0.01 0.02 -0.72 -0.04 -1.26 -4.87 135.00 129.76 1ujo n PRO 55 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1ujo n PRO 55 Cb 0.42 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.02 -1.47 0.54 5.08 -1.94 -3.27 114.58 113.54 1ujo h GLU 56 Ca 0.00 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 1ujo h GLU 56 Cb 0.00 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.14 1ujo h GLU 56 CO 0.00 0.76 0.36 0.41 -1.00 0.00 0.00 179.01 179.55 1ujo n GLY 57 N 1.48 3.80 1.62 -3.84 0.00 -1.26 -4.28 105.19 102.72 1ujo n GLY 57 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ujo n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujo n SER 58 N 0.35 0.00 -3.24 1.61 2.88 -1.25 -5.10 113.62 108.87 1ujo n SER 58 Ca 0.27 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.75 1ujo n SER 58 Cb 0.64 0.09 0.01 0.00 -0.75 0.00 0.00 64.21 64.20 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 -2.22 -0.55 -0.01 -1.46 4.01 -1.23 -4.89 118.16 111.81 1ujo n LYS 59 Ca 0.00 0.89 -0.17 0.00 -0.51 0.00 0.00 58.31 58.52 1ujo n LYS 59 Cb 0.00 -1.18 -0.10 0.00 -0.51 0.00 0.00 35.03 33.23 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 3.35 0.40 -6.17 1.97 0.13 -1.95 -3.45 132.00 126.27 1ujo h PRO 60 Ca -0.09 -0.39 -0.47 0.00 -0.87 0.00 0.00 66.00 64.18 1ujo h PRO 60 Cb 1.06 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ujo h PRO 60 CO 0.04 1.05 -0.44 0.08 -0.23 0.00 0.00 178.00 178.50 1ujo s VAL 61 N -3.36 5.23 -0.36 1.56 1.01 -1.26 -5.06 120.40 118.16 1ujo s VAL 61 Ca -0.14 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1ujo s VAL 61 Cb 0.04 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.70 1ujo s VAL 61 CO 0.81 -0.30 0.08 -0.54 0.00 0.00 0.00 175.10 175.15 1ujo s LYS 62 N -3.88 1.51 -0.35 2.72 1.02 -1.26 -5.01 119.74 114.49 1ujo s LYS 62 Ca 0.34 -1.95 -0.13 0.00 0.02 0.00 0.00 55.97 54.25 1ujo s LYS 62 Cb -0.09 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1ujo s LYS 62 CO 0.29 -0.97 0.25 0.54 -0.92 0.00 0.00 175.35 174.54 1ujo s VAL 63 N 0.76 5.28 0.69 3.17 0.11 -1.26 -5.07 120.40 124.08 1ujo s VAL 63 Ca 0.12 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1ujo s VAL 63 Cb -0.20 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 1ujo s VAL 63 CO -0.08 -0.05 1.06 -2.16 -3.33 0.00 0.00 175.10 170.55 1ujo s PRO 64 N 1.73 2.95 0.01 1.54 0.04 -1.26 -4.99 135.00 135.02 1ujo s PRO 64 Ca 0.06 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 1ujo s PRO 64 Cb -0.18 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1ujo s PRO 64 CO 0.11 -1.09 1.05 0.93 0.04 0.00 0.00 177.00 178.04 1ujo h GLU 65 N -0.68 -0.06 -6.93 4.56 5.08 -2.03 -3.41 114.58 111.10 1ujo h GLU 65 Ca -0.44 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.45 1ujo h GLU 65 Cb 1.21 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ujo h GLU 65 CO 0.57 -0.04 0.38 -0.80 -1.00 0.00 0.00 179.01 178.11 1ujo s ASN 66 N -2.66 7.09 0.52 1.42 0.01 -1.26 -5.03 114.94 115.03 1ujo s ASN 66 Ca -0.01 1.92 -0.19 0.00 -0.71 0.00 0.00 52.86 53.86 1ujo s ASN 66 Cb 0.01 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 1ujo s ASN 66 CO 0.05 -0.25 1.04 -2.16 -1.51 0.00 0.00 177.10 174.27 1ujo s PRO 67 N -2.29 3.68 0.14 -0.60 0.04 -1.26 -5.01 135.00 129.70 1ujo s PRO 67 Ca 0.54 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1ujo s PRO 67 Cb -0.20 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 1ujo s PRO 67 CO 0.25 -0.52 1.13 -1.25 0.04 0.00 0.00 177.00 176.65 1ujo s PRO 68 N -3.49 4.53 -0.15 0.56 0.04 -1.26 -4.97 135.00 130.26 1ujo s PRO 68 Ca 0.66 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 1ujo s PRO 68 Cb -0.16 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 1ujo s PRO 68 CO 0.25 -0.05 -0.01 1.03 0.04 0.00 0.00 177.00 178.27 1ujo h SER 69 N 5.69 0.00 -2.56 6.66 0.87 -1.97 -3.41 113.55 118.83 1ujo h SER 69 Ca -0.43 -0.18 -0.59 0.00 -1.23 0.00 0.00 61.79 59.35 1ujo h SER 69 Cb 1.21 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 63.34 1ujo h SER 69 CO 0.75 0.92 -0.61 0.80 -0.53 0.00 0.00 176.83 178.16 1ujo n MET 70 N -4.59 0.37 0.18 2.24 1.56 -1.26 -4.74 117.12 110.88 1ujo n MET 70 Ca -0.13 0.14 -0.07 0.00 -0.27 0.00 0.00 57.70 57.38 1ujo n MET 70 Cb 0.34 -1.46 -0.03 0.00 2.15 0.00 0.00 33.22 34.22 1ujo n MET 70 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ujo h VAL 71 N 0.28 0.00 -0.93 1.12 2.07 -1.99 -0.86 116.25 115.95 1ujo h VAL 71 Ca -0.43 -0.11 0.23 0.00 0.82 0.00 0.00 66.70 67.20 1ujo h VAL 71 Cb 1.41 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.01 1ujo h VAL 71 CO 0.46 0.00 -0.07 0.49 0.02 0.00 0.00 177.57 178.47 1ujo n PHE 72 N -3.56 0.49 0.39 1.57 3.01 -1.26 0.37 117.46 118.47 1ujo n PHE 72 Ca -0.06 1.12 -0.18 0.00 1.01 0.00 0.00 57.45 59.34 1ujo n PHE 72 Cb 0.18 -1.14 -0.09 0.00 -0.01 0.00 0.00 39.48 38.43 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 -0.92 -0.22 -1.08 1.79 -1.91 -0.89 116.57 113.33 1ujo h LYS 73 Ca 0.52 0.06 0.04 0.00 -2.18 0.00 0.00 60.65 59.09 1ujo h LYS 73 Cb 0.98 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 1ujo h LYS 73 CO -0.90 -0.61 -0.50 1.96 -1.08 0.00 0.00 179.45 178.32 1ujo h GLN 74 N -0.97 -0.48 -0.77 3.15 4.20 0.14 0.20 115.11 120.59 1ujo h GLN 74 Ca -0.10 0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.82 1ujo h GLN 74 Cb 0.74 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.51 1ujo h GLN 74 CO 0.16 -0.32 0.14 0.52 -0.67 0.00 0.00 178.83 178.67 1ujo h MET 75 N -0.49 0.21 0.11 1.46 2.86 -0.36 -0.12 114.93 118.60 1ujo h MET 75 Ca 0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ujo h MET 75 Cb 0.64 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ujo h MET 75 CO -0.48 0.14 -0.06 0.93 1.06 0.00 0.00 176.91 178.50 1ujo h GLU 76 N 0.21 -0.16 -0.96 1.72 5.08 0.39 -1.57 114.58 119.30 1ujo h GLU 76 Ca 0.44 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 59.03 1ujo h GLU 76 Cb 0.79 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 29.90 1ujo h GLU 76 CO -0.58 -0.11 -0.15 0.94 -1.00 0.00 0.00 179.01 178.11 1ujo n GLN 77 N -5.17 -0.08 0.06 2.33 -0.06 0.54 0.63 117.38 115.63 1ujo n GLN 77 Ca -0.08 1.47 -0.13 0.00 -2.00 0.00 0.00 57.00 56.27 1ujo n GLN 77 Cb 0.10 -2.25 -0.09 0.00 -4.06 0.00 0.00 30.24 23.94 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 1.07 -0.93 1.69 2.07 -1.17 -2.85 116.25 116.13 1ujo h VAL 78 Ca 0.50 -0.71 0.24 0.00 0.82 0.00 0.00 66.70 67.55 1ujo h VAL 78 Cb 0.87 1.52 -0.13 0.00 -1.52 0.00 0.00 31.29 32.03 1ujo h VAL 78 CO -0.96 0.17 0.45 0.00 0.02 0.00 0.00 177.57 177.25 1ujo h ALA 79 N 0.37 1.58 -0.54 1.67 0.00 0.12 0.79 119.26 123.24 1ujo h ALA 79 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1ujo h ALA 79 Cb 0.39 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1ujo h ALA 79 CO 0.02 -0.38 0.26 1.96 0.00 0.00 0.00 179.25 181.12 1ujo h GLN 80 N 0.40 0.49 -0.17 0.00 4.20 0.42 -0.21 115.11 120.25 1ujo h GLN 80 Ca 0.61 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 59.13 1ujo h GLN 80 Cb 1.20 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1ujo h GLN 80 CO -0.55 0.32 -0.52 0.35 -0.67 0.00 0.00 178.83 177.77 1ujo h PHE 81 N 0.51 0.85 0.15 2.96 3.57 0.25 -2.30 116.94 122.92 1ujo h PHE 81 Ca 0.25 -0.34 0.01 0.00 3.53 0.00 0.00 57.97 61.41 1ujo h PHE 81 Cb 0.18 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1ujo h PHE 81 CO -0.11 1.13 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.59 1ujo h LEU 82 N 0.32 -1.31 -1.06 0.59 3.38 0.76 1.47 115.31 119.47 1ujo h LEU 82 Ca -0.02 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.22 1ujo h LEU 82 Cb 1.15 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 42.28 1ujo h LEU 82 CO 0.11 -0.48 0.62 0.11 0.09 0.00 0.00 178.44 178.89 1ujo h LYS 83 N -0.66 0.88 -0.55 1.13 1.57 -1.13 0.13 116.57 117.93 1ujo h LYS 83 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ujo h LYS 83 Cb 0.65 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1ujo h LYS 83 CO -0.21 0.58 0.23 0.00 -0.57 0.00 0.00 179.45 179.48 1ujo h ALA 84 N 1.57 0.72 -0.88 3.86 0.00 -0.53 -1.87 119.26 122.13 1ujo h ALA 84 Ca 0.51 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1ujo h ALA 84 Cb 0.61 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1ujo h ALA 84 CO -0.28 0.32 0.57 0.00 0.00 0.00 0.00 179.25 179.86 1ujo h ALA 85 N 1.08 1.62 0.30 0.00 0.00 0.46 -1.97 119.26 120.75 1ujo h ALA 85 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ujo h ALA 85 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ujo h ALA 85 CO -0.02 0.22 -0.15 1.49 0.00 0.00 0.00 179.25 180.80 1ujo h GLU 86 N 0.90 -0.39 -1.01 0.00 4.22 -0.49 -2.52 114.58 115.29 1ujo h GLU 86 Ca 0.40 0.03 0.33 0.00 0.08 0.00 0.00 59.36 60.19 1ujo h GLU 86 Cb 0.34 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.53 1ujo h GLU 86 CO -0.16 -0.18 0.58 0.22 -2.18 0.00 0.00 179.01 177.28 1ujo h ASP 87 N -0.54 0.50 -0.03 1.04 1.82 -0.69 0.33 116.42 118.86 1ujo h ASP 87 Ca -0.04 0.19 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1ujo h ASP 87 Cb 0.40 0.15 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 1ujo h ASP 87 CO 0.07 -0.16 -0.26 0.22 -1.61 0.00 0.00 179.24 177.50 1ujo h TYR 88 N 0.30 -0.71 0.00 0.28 3.20 -1.04 -3.45 116.97 115.54 1ujo h TYR 88 Ca 0.74 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.64 1ujo h TYR 88 Cb 1.74 0.32 0.00 0.00 1.54 0.00 0.00 36.73 40.33 1ujo h TYR 88 CO -0.01 -0.35 0.00 0.41 -1.64 0.00 0.00 178.16 176.57 1ujo n GLY 89 N -1.38 0.00 3.76 1.82 0.00 0.12 -5.11 105.19 104.39 1ujo n GLY 89 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 4.88 1.02 1.61 1.01 -1.10 -5.01 120.40 122.81 1ujo s VAL 90 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1ujo s VAL 90 Cb 0.00 -3.10 0.20 0.00 0.00 0.00 0.00 36.38 33.48 1ujo s VAL 90 CO 0.00 0.59 1.17 0.27 0.00 0.00 0.00 175.10 177.13 1ujo s ILE 91 N -0.79 1.88 -2.41 2.22 -4.36 -1.26 -4.72 121.20 111.75 1ujo s ILE 91 Ca 0.13 0.00 0.23 0.00 -0.26 0.00 0.00 60.65 60.74 1ujo s ILE 91 Cb -0.12 -2.71 0.44 0.00 1.25 0.00 0.00 42.46 41.32 1ujo s ILE 91 CO 0.03 0.00 1.52 0.29 0.24 0.00 0.00 174.94 177.01 1ujo n LYS 92 N -4.09 1.95 0.00 0.37 5.02 -1.26 -3.50 118.16 116.64 1ujo n LYS 92 Ca 0.10 -1.42 0.10 0.00 -2.02 0.00 0.00 58.31 55.07 1ujo n LYS 92 Cb 0.59 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ujo n THR 93 N 0.66 0.00 0.21 -0.18 -1.04 -1.26 -4.18 114.28 108.49 1ujo n THR 93 Ca 0.17 -0.29 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 1ujo n THR 93 Cb 0.42 1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 70.12 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 -0.06 1.34 -4.81 8.00 9.92 -1.23 -5.01 116.55 124.70 1ujo n ASP 94 Ca 0.08 -0.44 -0.35 0.00 -0.53 0.00 0.00 54.79 53.55 1ujo n ASP 94 Cb 0.42 1.11 -0.06 0.00 -0.64 0.00 0.00 41.12 41.94 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 -1.93 4.29 0.53 -1.24 -1.94 -1.23 -0.92 119.30 116.87 1ujo s MET 95 Ca 0.01 1.03 0.02 0.00 -1.71 0.00 0.00 55.69 55.04 1ujo s MET 95 Cb 0.05 -2.56 0.01 0.00 2.01 0.00 0.00 34.83 34.34 1ujo s MET 95 CO 0.29 0.19 0.14 -0.59 -0.01 0.00 0.00 175.02 175.03 1ujo s PHE 96 N -1.84 1.72 -0.12 -0.03 -0.12 -1.26 -4.96 117.98 111.37 1ujo s PHE 96 Ca 0.53 -0.94 -0.09 0.00 -0.05 0.00 0.00 56.93 56.38 1ujo s PHE 96 Cb -0.14 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.51 1ujo s PHE 96 CO 0.19 -0.04 0.19 -0.65 -0.05 0.00 0.00 175.22 174.86 1ujo s GLN 97 N -4.03 3.65 0.32 1.99 -0.21 -1.26 -4.96 119.66 115.16 1ujo s GLN 97 Ca 0.13 -0.05 0.18 0.00 0.02 0.00 0.00 55.36 55.64 1ujo s GLN 97 Cb -0.00 -3.24 1.18 0.00 1.00 0.00 0.00 33.01 31.95 1ujo s GLN 97 CO 0.08 0.68 1.39 2.41 -2.12 0.00 0.00 175.29 177.72 1ujo n THR 98 N 2.24 -0.37 0.11 -0.19 -1.04 -1.26 0.19 114.28 113.96 1ujo n THR 98 Ca -0.18 1.79 -0.13 0.00 -2.04 0.00 0.00 64.05 63.48 1ujo n THR 98 Cb 0.54 -2.90 -0.08 0.00 -1.82 0.00 0.00 70.33 66.07 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 0.90 -1.86 12.58 3.04 -1.95 1.21 116.25 130.17 1ujo h VAL 99 Ca 0.74 -0.52 0.54 0.00 -1.01 0.00 0.00 66.70 66.45 1ujo h VAL 99 Cb 1.96 1.21 -0.07 0.00 -2.01 0.00 0.00 31.29 32.37 1ujo h VAL 99 CO -0.68 0.12 1.38 0.44 -1.01 0.00 0.00 177.57 177.82 1ujo h ASP 100 N -0.52 0.00 0.00 3.17 3.32 0.18 1.44 116.42 124.00 1ujo h ASP 100 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ujo h ASP 100 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ujo h ASP 100 CO 0.04 0.00 -0.77 -0.11 -1.72 0.00 0.00 179.24 176.69 1ujo n LEU 101 N -3.89 1.62 -0.05 1.55 7.94 -0.90 -1.77 117.00 121.50 1ujo n LEU 101 Ca 0.42 0.34 -0.11 0.00 -1.11 0.00 0.00 56.01 55.55 1ujo n LEU 101 Cb 1.94 -0.73 -0.05 0.00 0.53 0.00 0.00 43.42 45.12 1ujo n LEU 101 CO 0.43 -0.34 0.60 0.22 -1.11 0.00 0.00 177.39 177.19 1ujo h TYR 102 N -0.85 -1.14 -0.33 1.96 3.20 0.28 0.24 116.97 120.34 1ujo h TYR 102 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ujo h TYR 102 Cb 0.77 0.53 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1ujo h TYR 102 CO -0.33 -0.44 0.00 0.39 -1.64 0.00 0.00 178.16 176.14 1ujo n GLU 103 N -5.42 1.98 -4.10 1.82 -0.58 0.48 -4.90 120.64 109.93 1ujo n GLU 103 Ca -0.02 -1.27 -0.34 0.00 -0.42 0.00 0.00 57.16 55.10 1ujo n GLU 103 Cb 0.35 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.90 -0.28 0.18 0.62 0.00 0.86 -4.74 105.19 102.73 1ujo n GLY 104 Ca 0.12 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.92 0.02 -2.62 1.61 1.57 -1.40 -3.40 116.57 111.42 1ujo h LYS 105 Ca -0.53 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 57.87 1ujo h LYS 105 Cb 1.19 -0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.13 1ujo h LYS 105 CO 0.73 0.44 -0.67 -0.51 -0.57 0.00 0.00 179.45 178.86 1ujo s ASP 106 N -6.91 1.89 0.05 0.86 1.01 -0.91 -5.00 116.67 107.66 1ujo s ASP 106 Ca -0.03 -0.50 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 1ujo s ASP 106 Cb 0.14 0.17 -0.30 0.00 1.01 0.00 0.00 42.92 43.94 1ujo s ASP 106 CO 0.74 -0.35 1.06 0.24 0.21 0.00 0.00 175.17 177.07 1ujo h MET 107 N 8.34 0.35 -0.68 8.23 2.86 -1.78 -2.99 114.93 129.25 1ujo h MET 107 Ca -0.16 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1ujo h MET 107 Cb 1.13 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.97 1ujo h MET 107 CO 0.31 1.28 0.44 0.00 1.06 0.00 0.00 176.91 179.99 1ujo h ALA 108 N 0.44 0.87 0.54 6.32 0.00 -1.94 -2.73 119.26 122.77 1ujo h ALA 108 Ca -0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ujo h ALA 108 Cb 2.04 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1ujo h ALA 108 CO 0.22 0.32 -0.26 0.00 0.00 0.00 0.00 179.25 179.53 1ujo h ALA 109 N 1.23 -0.73 -1.62 0.00 0.00 -1.95 -0.86 119.26 115.33 1ujo h ALA 109 Ca 0.25 -0.17 0.52 0.00 0.00 0.00 0.00 54.91 55.50 1ujo h ALA 109 Cb -0.07 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1ujo h ALA 109 CO -0.05 -0.88 1.10 0.28 0.00 0.00 0.00 179.25 179.70 1ujo n VAL 110 N -5.38 -0.15 -0.05 0.00 0.31 -1.07 0.13 118.33 112.11 1ujo n VAL 110 Ca -0.12 1.68 -0.12 0.00 -0.01 0.00 0.00 64.34 65.77 1ujo n VAL 110 Cb 0.31 -2.77 -0.10 0.00 -0.91 0.00 0.00 33.84 30.37 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 -0.02 -1.59 5.55 4.20 -1.06 -3.18 115.11 119.01 1ujo h GLN 111 Ca 0.90 0.00 0.50 0.00 0.06 0.00 0.00 58.65 60.12 1ujo h GLN 111 Cb 3.21 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 30.89 1ujo h GLN 111 CO -0.29 0.73 1.09 -2.13 -0.67 0.00 0.00 178.83 177.56 1ujo n ARG 112 N -4.70 -0.02 0.06 1.46 0.63 0.34 0.19 116.66 114.63 1ujo n ARG 112 Ca -0.08 1.12 -0.03 0.00 -0.92 0.00 0.00 57.85 57.93 1ujo n ARG 112 Cb 0.37 -2.37 -0.01 0.00 0.45 0.00 0.00 32.46 30.90 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 -0.76 5.15 2.02 -0.34 -3.06 112.91 115.92 1ujo h THR 113 Ca 0.87 -0.33 0.11 0.00 0.77 0.00 0.00 66.41 67.82 1ujo h THR 113 Cb 3.14 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 69.47 1ujo h THR 113 CO -0.24 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 175.97 1ujo h LEU 114 N -0.54 0.49 -1.07 2.58 3.38 -0.64 0.87 115.31 120.38 1ujo h LEU 114 Ca -0.02 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.28 1ujo h LEU 114 Cb 0.16 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 1ujo h LEU 114 CO 0.03 0.26 0.61 0.24 0.09 0.00 0.00 178.44 179.68 1ujo h MET 115 N 0.62 0.50 0.01 1.13 2.86 0.20 0.25 114.93 120.50 1ujo h MET 115 Ca 0.38 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1ujo h MET 115 Cb 0.44 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ujo h MET 115 CO -0.29 0.33 -0.00 0.00 1.06 0.00 0.00 176.91 178.00 1ujo h ALA 116 N 1.72 -0.01 -0.65 6.32 0.00 -0.83 -2.93 119.26 122.88 1ujo h ALA 116 Ca 0.65 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ujo h ALA 116 Cb 1.34 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1ujo h ALA 116 CO -0.46 -0.02 -0.55 1.25 0.00 0.00 0.00 179.25 179.47 1ujo h LEU 117 N -0.97 -1.92 0.08 0.00 5.85 0.29 0.92 115.31 119.56 1ujo h LEU 117 Ca -0.00 0.27 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1ujo h LEU 117 Cb 0.77 0.82 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1ujo h LEU 117 CO 0.00 -0.31 -0.32 1.23 -0.34 0.00 0.00 178.44 178.70 1ujo h GLY 118 N -0.20 -1.19 -0.48 3.75 0.00 -0.70 -0.65 103.07 103.60 1ujo h GLY 118 Ca 0.11 0.60 0.25 0.00 0.00 0.00 0.00 47.33 48.28 1ujo h GLY 118 CO -0.72 -0.35 0.26 0.23 0.00 0.00 0.00 176.54 175.97 1ujo h SER 119 N -0.47 0.04 -0.58 0.19 0.87 -1.16 0.93 113.55 113.37 1ujo h SER 119 Ca -0.01 0.20 0.08 0.00 -1.23 0.00 0.00 61.79 60.84 1ujo h SER 119 Cb 0.47 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.62 1ujo h SER 119 CO -0.17 -0.16 0.22 -0.07 -0.53 0.00 0.00 176.83 176.12 1ujo h LEU 120 N 0.21 0.24 -0.87 2.23 3.38 0.19 0.40 115.31 121.09 1ujo h LEU 120 Ca 0.57 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.49 1ujo h LEU 120 Cb 1.18 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1ujo h LEU 120 CO -0.66 0.15 -0.51 0.00 0.09 0.00 0.00 178.44 177.51 1ujo h ALA 121 N 1.38 1.05 -0.72 1.53 0.00 0.20 -2.65 119.26 120.06 1ujo h ALA 121 Ca 0.28 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1ujo h ALA 121 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ujo h ALA 121 CO -0.28 0.66 0.18 0.28 0.00 0.00 0.00 179.25 180.09 1ujo h VAL 122 N 0.11 1.26 -0.21 0.00 2.07 0.26 -2.67 116.25 117.07 1ujo h VAL 122 Ca 0.00 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1ujo h VAL 122 Cb 0.95 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1ujo h VAL 122 CO 0.07 0.37 0.09 0.74 0.02 0.00 0.00 177.57 178.87 1ujo h THR 123 N 1.09 1.16 0.00 2.57 2.02 -0.07 -3.36 112.91 116.31 1ujo h THR 123 Ca 0.23 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1ujo h THR 123 Cb 0.37 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ujo h THR 123 CO 0.00 0.15 0.00 0.29 0.37 0.00 0.00 175.52 176.33 1ujo n LYS 124 N -4.83 0.00 -1.59 6.66 5.02 -1.02 -5.02 118.16 117.37 1ujo n LYS 124 Ca -0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 1ujo n LYS 124 Cb 0.12 -0.36 -0.00 0.00 -0.02 0.00 0.00 35.03 34.76 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 0.00 -1.85 0.00 4.39 2.85 -1.03 -5.06 115.26 114.56 1ujo n ASN 125 Ca 0.00 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1ujo n ASN 125 Cb 0.00 -1.36 0.00 0.00 1.24 0.00 0.00 39.78 39.66 1ujo n ASN 125 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ujo n ASP 126 N 0.15 -0.04 0.00 1.20 8.00 -1.26 -5.05 116.55 119.54 1ujo n ASP 126 Ca -0.04 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1ujo n ASP 126 Cb 0.06 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.48 -1.01 1.29 0.44 0.00 -1.26 -5.05 105.19 99.13 1ujo n GLY 127 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.31 -4.64 1.61 3.02 -1.26 -5.03 115.26 109.27 1ujo n ASN 128 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1ujo n ASN 128 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.88 2.64 -0.44 3.10 6.14 -1.26 -4.77 117.35 120.88 1ujo s TYR 129 Ca 0.00 0.85 -0.00 0.00 0.64 0.00 0.00 57.07 58.56 1ujo s TYR 129 Cb 0.00 -3.79 0.37 0.00 0.42 0.00 0.00 41.96 38.96 1ujo s TYR 129 CO 0.00 -1.93 1.94 0.54 0.64 0.00 0.00 175.55 176.73 1ujo n ARG 130 N 7.13 2.14 0.00 4.97 5.12 -1.26 -4.79 116.66 129.97 1ujo n ARG 130 Ca 0.15 -2.33 0.00 0.00 -1.93 0.00 0.00 57.85 53.74 1ujo n ARG 130 Cb 0.46 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1ujo n ARG 130 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujo n GLY 131 N -0.36 4.11 2.99 -0.13 0.00 -1.26 -4.70 105.19 105.84 1ujo n GLY 131 Ca 0.45 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 1.14 0.17 0.38 1.61 1.11 -1.26 -5.04 116.67 114.79 1ujo s ASP 132 Ca 0.00 -0.39 0.21 0.00 0.18 0.00 0.00 52.55 52.55 1ujo s ASP 132 Cb 0.00 0.11 0.57 0.00 1.07 0.00 0.00 42.92 44.67 1ujo s ASP 132 CO 0.00 -0.27 1.68 1.55 1.18 0.00 0.00 175.17 179.30 1ujo h PRO 133 N 4.79 0.00 -1.93 8.23 0.13 -1.96 -3.24 132.00 138.02 1ujo h PRO 133 Ca -0.31 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.47 1ujo h PRO 133 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1ujo h PRO 133 CO 0.42 0.31 0.15 0.09 -0.23 0.00 0.00 178.00 178.74 1ujo n ASN 134 N -3.32 6.05 -0.05 1.44 3.02 -1.26 -3.81 115.26 117.33 1ujo n ASN 134 Ca 0.01 -2.93 -0.09 0.00 -0.03 0.00 0.00 54.58 51.54 1ujo n ASN 134 Cb 0.55 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.42 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 1.30 0.00 0.06 3.10 7.02 -1.22 -4.61 117.44 123.09 1ujo n TRP 135 Ca 0.41 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.99 1ujo n TRP 135 Cb 0.66 -0.35 0.27 0.00 -2.42 0.00 0.00 31.31 29.47 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 -3.20 0.83 -1.93 -5.99 3.01 -1.25 -4.94 117.46 103.98 1ujo n PHE 136 Ca -0.18 -0.41 -0.42 0.00 1.01 0.00 0.00 57.45 57.45 1ujo n PHE 136 Cb 0.65 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 1ujo n PHE 136 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1ujo s MET 137 N -1.21 4.21 0.35 -1.08 -1.94 -1.26 -4.63 119.30 113.74 1ujo s MET 137 Ca 0.41 2.33 0.00 0.00 -1.71 0.00 0.00 55.69 56.72 1ujo s MET 137 Cb 0.21 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.60 1ujo s MET 137 CO 0.27 -0.69 0.00 1.17 -0.01 0.00 0.00 175.02 175.77 1ujo n LYS 138 N 5.04 0.00 -1.20 2.03 0.00 -1.26 -5.10 118.16 117.67 1ujo n LYS 138 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1ujo n LYS 138 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1ujo n LYS 138 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ujo n SER 139 N -3.30 -6.45 -3.57 3.14 7.64 -1.26 -5.11 113.62 104.71 1ujo n SER 139 Ca 0.00 0.82 -0.07 0.00 1.01 0.00 0.00 58.87 60.63 1ujo n SER 139 Cb 0.00 -2.85 -0.03 0.00 -1.01 0.00 0.00 64.21 60.32 1ujo n SER 139 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujo s GLY 140 N -1.31 -0.32 -1.21 0.23 0.00 -1.26 -5.04 107.32 98.41 1ujo s GLY 140 Ca 0.00 1.57 -0.09 0.00 0.00 0.00 0.00 44.72 46.19 1ujo s GLY 140 CO 0.00 0.59 2.42 -1.55 0.00 0.00 0.00 173.10 174.56 1ujo n PRO 141 N 0.04 2.70 0.00 2.90 -0.04 -1.26 -4.44 135.00 134.89 1ujo n PRO 141 Ca -0.04 -1.85 0.14 0.00 -0.04 0.00 0.00 63.50 61.71 1ujo n PRO 141 Cb 0.59 -2.69 0.69 0.00 -0.04 0.00 0.00 33.50 32.05 1ujo n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ujo n SER 142 N 4.40 0.02 -0.07 3.54 3.41 -1.26 -3.95 113.62 119.70 1ujo n SER 142 Ca 0.58 0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1ujo n SER 142 Cb 0.21 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1ujo n SER 142 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujo n SER 143 N -1.38 1.67 0.00 4.04 2.88 -1.26 -5.07 113.62 114.50 1ujo n SER 143 Ca 0.11 0.28 0.08 0.00 -1.33 0.00 0.00 58.87 58.01 1ujo n SER 143 Cb 0.29 -0.64 0.48 0.00 -0.75 0.00 0.00 64.21 63.58 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42