#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdu s GLU 4 N 0.00 1.99 0.00 5.55 0.41 -1.26 -4.88 118.70 120.51 1mdu s GLU 4 Ca 0.00 -1.60 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 1mdu s GLU 4 Cb 0.00 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 1mdu s GLU 4 CO 0.00 0.34 0.00 1.58 -0.49 0.00 0.00 175.26 176.69 1mdu n HIS 5 N -0.76 0.00 -0.32 1.61 -0.00 -1.26 -4.97 115.22 109.52 1mdu n HIS 5 Ca -0.06 0.00 0.27 0.00 0.46 0.00 0.00 57.72 58.39 1mdu n HIS 5 Cb 0.60 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.97 1mdu n HIS 5 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1mdu n PRO 6 N -0.01 -0.06 0.17 1.57 -0.02 -1.26 0.13 135.00 135.51 1mdu n PRO 6 Ca 0.00 1.37 0.05 0.00 -2.02 0.00 0.00 63.50 62.90 1mdu n PRO 6 Cb 0.00 -2.39 0.15 0.00 -0.02 0.00 0.00 33.50 31.24 1mdu n PRO 6 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mdu h GLU 7 N 0.00 0.00 -0.22 -0.52 4.39 -1.96 -3.23 114.58 113.04 1mdu h GLU 7 Ca 0.77 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.31 1mdu h GLU 7 Cb 1.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.60 1mdu h GLU 7 CO -0.79 0.39 -0.53 0.74 -1.16 0.00 0.00 179.01 177.66 1mdu h PHE 8 N 0.00 0.78 0.00 4.33 -1.00 0.63 -2.62 116.94 119.06 1mdu h PHE 8 Ca -0.00 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 60.47 1mdu h PHE 8 Cb 1.18 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1mdu h PHE 8 CO 0.00 1.02 -0.18 -0.07 -1.61 0.00 0.00 178.31 177.48 1mdu h LEU 9 N 0.49 0.00 0.00 1.54 3.38 -1.40 -2.81 115.31 116.51 1mdu h LEU 9 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mdu h LEU 9 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1mdu h LEU 9 CO 0.10 0.18 -0.69 0.29 0.09 0.00 0.00 178.44 178.41 1mdu n LYS 10 N -3.78 0.04 -2.51 1.13 5.02 -1.09 -4.89 118.16 112.08 1mdu n LYS 10 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1mdu n LYS 10 Cb 0.28 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 1mdu n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdu s ALA 11 N -3.03 3.38 -1.67 7.82 0.00 -1.01 -3.96 121.76 123.29 1mdu s ALA 11 Ca 0.09 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1mdu s ALA 11 Cb 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1mdu s ALA 11 CO 0.75 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1mdu n GLY 12 N 1.84 -0.42 0.12 0.00 0.00 -1.26 -4.90 105.19 100.57 1mdu n GLY 12 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1mdu n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mdu h LYS 13 N 0.00 0.26 -4.25 1.61 1.79 -1.91 -3.47 116.57 110.60 1mdu h LYS 13 Ca -0.46 -0.37 -0.15 0.00 -2.18 0.00 0.00 60.65 57.49 1mdu h LYS 13 Cb 1.34 0.13 -0.15 0.00 -1.58 0.00 0.00 32.23 31.97 1mdu h LYS 13 CO 0.54 1.13 -0.60 -1.83 -1.08 0.00 0.00 179.45 177.61 1mdu s GLU 14 N -2.89 0.84 0.42 3.15 -1.05 -1.26 -5.13 118.70 112.79 1mdu s GLU 14 Ca -0.04 -1.30 -0.25 0.00 -0.15 0.00 0.00 54.97 53.23 1mdu s GLU 14 Cb 0.08 0.26 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 1mdu s GLU 14 CO 0.86 -0.23 1.28 -2.30 0.95 0.00 0.00 175.26 175.83 1mdu n PRO 15 N -0.04 1.95 -0.66 -4.83 -0.02 -1.26 -4.75 135.00 125.39 1mdu n PRO 15 Ca -0.09 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1mdu n PRO 15 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1mdu n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mdu n GLY 16 N 0.80 0.46 3.34 -1.23 0.00 0.11 -4.95 105.19 103.71 1mdu n GLY 16 Ca 0.06 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1mdu n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mdu s LEU 17 N 0.00 2.66 -0.03 0.99 2.96 -1.26 -0.04 118.68 123.96 1mdu s LEU 17 Ca 0.00 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1mdu s LEU 17 Cb 0.00 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1mdu s LEU 17 CO 0.00 0.13 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.84 1mdu s GLN 18 N 0.55 2.06 -0.04 1.98 -0.21 -0.28 -5.01 119.66 118.70 1mdu s GLN 18 Ca -0.08 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1mdu s GLN 18 Cb -0.16 -1.87 0.01 0.00 1.00 0.00 0.00 33.01 31.99 1mdu s GLN 18 CO 0.04 0.42 -0.10 0.42 -2.12 0.00 0.00 175.29 173.94 1mdu s ILE 19 N -0.32 0.95 0.10 1.08 1.01 -1.26 -1.22 121.20 121.53 1mdu s ILE 19 Ca 0.03 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1mdu s ILE 19 Cb -0.11 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1mdu s ILE 19 CO 0.01 0.30 -0.15 0.26 0.00 0.00 0.00 174.94 175.36 1mdu s TRP 20 N 0.42 1.37 0.02 3.97 0.51 -0.56 -0.90 118.94 123.77 1mdu s TRP 20 Ca -0.08 -0.50 0.07 0.00 -2.12 0.00 0.00 56.10 53.47 1mdu s TRP 20 Cb -0.12 -0.74 -0.03 0.00 -0.81 0.00 0.00 33.47 31.77 1mdu s TRP 20 CO 0.02 0.11 -0.22 0.50 -0.51 0.00 0.00 176.95 176.86 1mdu s ARG 21 N -2.18 2.06 -0.05 4.98 3.52 0.24 -1.18 118.95 126.33 1mdu s ARG 21 Ca 0.04 -0.97 -0.30 0.00 -0.13 0.00 0.00 55.73 54.37 1mdu s ARG 21 Cb -0.08 -2.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 1mdu s ARG 21 CO 0.03 0.55 1.04 0.08 -0.81 0.00 0.00 175.30 176.18 1mdu s VAL 22 N -0.80 4.69 -0.21 7.11 1.01 -0.01 -1.27 120.40 130.91 1mdu s VAL 22 Ca 0.12 1.95 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 1mdu s VAL 22 Cb -0.10 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1mdu s VAL 22 CO 0.02 0.07 0.09 -1.61 0.00 0.00 0.00 175.10 173.67 1mdu s GLU 23 N 1.60 0.21 -1.17 2.72 2.02 0.14 -4.65 118.70 119.58 1mdu s GLU 23 Ca 0.51 -0.29 -0.19 0.00 0.02 0.00 0.00 54.97 55.02 1mdu s GLU 23 Cb -0.21 -1.71 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 1mdu s GLU 23 CO 0.23 -0.77 0.75 1.63 0.02 0.00 0.00 175.26 177.12 1mdu n LYS 24 N 5.22 -1.45 -1.74 1.61 5.02 -1.26 -2.00 118.16 123.56 1mdu n LYS 24 Ca -0.07 0.44 -0.16 0.00 -2.02 0.00 0.00 58.31 56.49 1mdu n LYS 24 Cb 0.47 -4.10 -0.05 0.00 -0.02 0.00 0.00 35.03 31.32 1mdu n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mdu n PHE 25 N -4.25 -0.25 -4.15 2.13 3.01 -1.26 -4.95 117.46 107.74 1mdu n PHE 25 Ca -0.12 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.22 1mdu n PHE 25 Cb 0.60 -3.01 -0.11 0.00 -0.01 0.00 0.00 39.48 36.95 1mdu n PHE 25 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1mdu s ASP 26 N -2.65 1.22 -0.46 4.37 2.15 -0.85 -5.12 116.67 115.34 1mdu s ASP 26 Ca 0.00 -0.84 -0.17 0.00 0.43 0.00 0.00 52.55 51.97 1mdu s ASP 26 Cb 0.00 0.05 0.05 0.00 -0.30 0.00 0.00 42.92 42.71 1mdu s ASP 26 CO 0.00 -0.33 0.46 -0.22 -0.17 0.00 0.00 175.17 174.91 1mdu s LEU 27 N -2.52 5.16 -0.16 -1.34 0.20 -1.26 -0.69 118.68 118.08 1mdu s LEU 27 Ca 0.05 -0.97 -0.01 0.00 0.69 0.00 0.00 54.13 53.89 1mdu s LEU 27 Cb -0.01 -2.31 -0.01 0.00 -0.43 0.00 0.00 46.19 43.43 1mdu s LEU 27 CO -0.02 -0.67 -0.12 -0.69 -0.29 0.00 0.00 176.35 174.56 1mdu s VAL 28 N 2.06 2.95 0.50 1.68 1.01 -0.40 -4.93 120.40 123.27 1mdu s VAL 28 Ca 0.10 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 1mdu s VAL 28 Cb -0.20 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1mdu s VAL 28 CO 0.11 0.50 1.32 -2.16 0.00 0.00 0.00 175.10 174.87 1mdu s PRO 29 N 0.72 3.42 -0.18 2.72 0.04 -1.26 0.81 135.00 141.27 1mdu s PRO 29 Ca -0.06 2.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 1mdu s PRO 29 Cb -0.15 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1mdu s PRO 29 CO 0.02 -0.94 0.40 0.08 0.04 0.00 0.00 177.00 176.59 1mdu s VAL 30 N -1.34 5.21 0.07 -0.36 1.01 -0.07 -4.77 120.40 120.15 1mdu s VAL 30 Ca 0.67 0.73 -0.36 0.00 0.00 0.00 0.00 61.98 63.02 1mdu s VAL 30 Cb -0.38 -3.73 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1mdu s VAL 30 CO 0.46 0.28 1.41 -2.65 0.00 0.00 0.00 175.10 174.61 1mdu n PRO 31 N 4.19 1.33 -0.17 2.72 -0.02 -1.26 -4.80 135.00 136.99 1mdu n PRO 31 Ca -0.09 0.48 0.29 0.00 -2.02 0.00 0.00 63.50 62.17 1mdu n PRO 31 Cb 0.51 -2.15 0.71 0.00 -0.02 0.00 0.00 33.50 32.55 1mdu n PRO 31 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1mdu h THR 32 N 3.53 0.36 0.00 3.45 1.35 -1.96 0.13 112.91 119.77 1mdu h THR 32 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1mdu h THR 32 Cb 1.32 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1mdu h THR 32 CO 0.81 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.62 1mdu n ASN 33 N -3.94 0.00 -0.93 5.36 6.94 -1.26 -3.21 115.26 118.23 1mdu n ASN 33 Ca 0.19 0.22 0.10 0.00 -0.02 0.00 0.00 54.58 55.08 1mdu n ASN 33 Cb 1.07 -0.40 0.14 0.00 -2.36 0.00 0.00 39.78 38.22 1mdu n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1mdu n LEU 34 N -1.40 2.99 -4.65 -4.53 4.77 0.46 -4.96 117.00 109.67 1mdu n LEU 34 Ca 0.10 -1.25 -0.49 0.00 -0.03 0.00 0.00 56.01 54.35 1mdu n LEU 34 Cb 0.28 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1mdu n LEU 34 CO 0.24 0.58 1.56 -1.22 -1.33 0.00 0.00 177.39 177.23 1mdu n TYR 35 N 1.23 2.20 0.00 -1.77 4.02 -1.20 -0.77 117.16 120.88 1mdu n TYR 35 Ca 0.15 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1mdu n TYR 35 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 39.34 37.21 1mdu n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mdu n GLY 36 N 4.80 2.24 3.53 2.72 0.00 -1.26 -5.01 105.19 112.21 1mdu n GLY 36 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1mdu n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mdu s ASP 37 N -1.97 5.93 -0.11 1.61 1.01 0.05 -0.90 116.67 122.29 1mdu s ASP 37 Ca 0.00 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 52.97 1mdu s ASP 37 Cb 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1mdu s ASP 37 CO 0.00 -0.17 -0.22 -0.36 0.21 0.00 0.00 175.17 174.62 1mdu s PHE 38 N 1.71 2.50 0.02 4.23 0.40 -0.60 -5.00 117.98 121.25 1mdu s PHE 38 Ca 0.06 -1.09 -0.30 0.00 -0.60 0.00 0.00 56.93 55.00 1mdu s PHE 38 Cb -0.17 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 1mdu s PHE 38 CO 0.10 -0.46 1.22 -0.06 0.70 0.00 0.00 175.22 176.72 1mdu s PHE 39 N 0.51 3.31 -0.76 0.36 0.40 -1.26 -0.92 117.98 119.62 1mdu s PHE 39 Ca -0.15 1.22 0.16 0.00 -0.60 0.00 0.00 56.93 57.56 1mdu s PHE 39 Cb -0.17 -3.45 0.68 0.00 0.51 0.00 0.00 43.02 40.59 1mdu s PHE 39 CO 0.05 -1.43 1.48 0.25 0.70 0.00 0.00 175.22 176.28 1mdu n THR 40 N 4.19 1.12 -0.64 0.64 -2.24 0.19 -1.70 114.28 115.83 1mdu n THR 40 Ca 0.10 0.34 0.09 0.00 -2.27 0.00 0.00 64.05 62.30 1mdu n THR 40 Cb 0.46 -1.21 0.37 0.00 -2.10 0.00 0.00 70.33 67.85 1mdu n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mdu n GLY 41 N -0.38 2.74 2.74 3.38 0.00 0.29 -0.46 105.19 113.49 1mdu n GLY 41 Ca 0.02 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1mdu n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mdu n ASP 42 N 1.03 0.50 -4.07 1.61 10.43 -0.69 -3.87 116.55 121.49 1mdu n ASP 42 Ca 0.26 -2.81 -0.16 0.00 2.57 0.00 0.00 54.79 54.65 1mdu n ASP 42 Cb 0.95 1.06 -0.13 0.00 1.84 0.00 0.00 41.12 44.85 1mdu n ASP 42 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1mdu s ALA 43 N -3.00 0.77 0.08 2.24 0.00 -1.26 -1.07 121.76 119.53 1mdu s ALA 43 Ca 0.23 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1mdu s ALA 43 Cb 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1mdu s ALA 43 CO 0.16 0.11 -0.07 0.71 0.00 0.00 0.00 175.76 176.67 1mdu s TYR 44 N -0.87 0.86 -0.14 0.00 1.51 -0.40 -0.83 117.35 117.47 1mdu s TYR 44 Ca -0.03 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1mdu s TYR 44 Cb -0.07 -0.49 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1mdu s TYR 44 CO 0.01 -0.11 -0.18 0.08 -1.11 0.00 0.00 175.55 174.24 1mdu s VAL 45 N -2.89 2.50 -0.13 0.71 1.01 -0.33 -0.48 120.40 120.79 1mdu s VAL 45 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1mdu s VAL 45 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1mdu s VAL 45 CO -0.03 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.77 1mdu s ILE 46 N 0.68 2.34 -0.26 2.22 1.09 0.34 -1.49 121.20 126.11 1mdu s ILE 46 Ca -0.08 -0.90 -0.02 0.00 -1.10 0.00 0.00 60.65 58.55 1mdu s ILE 46 Cb -0.16 -1.94 0.03 0.00 -1.06 0.00 0.00 42.46 39.33 1mdu s ILE 46 CO 0.02 0.54 -0.04 -0.22 -0.10 0.00 0.00 174.94 175.13 1mdu s LEU 47 N 0.63 3.37 -0.30 2.97 2.96 -0.36 0.17 118.68 128.12 1mdu s LEU 47 Ca -0.10 -0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 52.74 1mdu s LEU 47 Cb -0.16 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1mdu s LEU 47 CO 0.03 -0.16 0.17 -0.75 -1.32 0.00 0.00 176.35 174.32 1mdu s LYS 48 N 1.31 3.60 -0.23 1.98 2.47 -0.62 -1.13 119.74 127.13 1mdu s LYS 48 Ca -0.01 -0.55 -0.05 0.00 -1.56 0.00 0.00 55.97 53.80 1mdu s LYS 48 Cb -0.17 -3.61 -0.02 0.00 -1.46 0.00 0.00 37.83 32.57 1mdu s LYS 48 CO -0.03 -0.32 0.00 0.99 0.16 0.00 0.00 175.35 176.15 1mdu s THR 49 N 1.68 3.79 0.02 3.43 2.01 0.94 -1.51 115.64 126.01 1mdu s THR 49 Ca 0.06 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.77 1mdu s THR 49 Cb -0.17 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1mdu s THR 49 CO 0.08 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 1mdu s VAL 50 N 1.45 2.82 -0.18 3.82 1.01 0.05 0.08 120.40 129.46 1mdu s VAL 50 Ca 0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 1mdu s VAL 50 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1mdu s VAL 50 CO 0.00 0.40 0.40 -1.58 0.00 0.00 0.00 175.10 174.32 1mdu s GLN 51 N -1.27 4.21 0.65 2.72 0.74 -1.26 -0.30 119.66 125.15 1mdu s GLN 51 Ca 0.14 0.24 -0.11 0.00 0.05 0.00 0.00 55.36 55.68 1mdu s GLN 51 Cb -0.10 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 1mdu s GLN 51 CO 0.04 0.02 1.05 -0.51 -0.55 0.00 0.00 175.29 175.34 1mdu s LEU 52 N 1.11 3.11 0.00 3.68 1.02 0.11 -4.91 118.68 122.81 1mdu s LEU 52 Ca 0.20 1.28 0.10 0.00 0.02 0.00 0.00 54.13 55.73 1mdu s LEU 52 Cb -0.15 -4.23 0.45 0.00 0.02 0.00 0.00 46.19 42.28 1mdu s LEU 52 CO 0.08 -1.05 1.28 -2.11 0.02 0.00 0.00 176.35 174.57 1mdu n ARG 53 N -2.83 0.05 -0.44 1.70 1.85 -1.26 0.07 116.66 115.79 1mdu n ARG 53 Ca 0.06 0.29 0.10 0.00 -1.00 0.00 0.00 57.85 57.30 1mdu n ARG 53 Cb 0.55 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.78 1mdu n ARG 53 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1mdu n ASN 54 N -1.43 4.00 0.00 2.89 0.23 -1.26 -4.91 115.26 114.77 1mdu n ASN 54 Ca 0.03 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 1mdu n ASN 54 Cb 0.10 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.30 1mdu n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mdu n GLY 55 N 1.38 1.17 3.85 4.83 0.00 0.11 -5.04 105.19 111.49 1mdu n GLY 55 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1mdu n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mdu s ASN 56 N -3.11 6.62 0.03 1.61 0.01 -1.26 -4.72 114.94 114.13 1mdu s ASN 56 Ca 0.00 1.49 -0.14 0.00 -0.71 0.00 0.00 52.86 53.50 1mdu s ASN 56 Cb 0.00 -2.47 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 1mdu s ASN 56 CO 0.00 -0.54 0.42 -0.76 -1.51 0.00 0.00 177.10 174.71 1mdu s LEU 57 N -3.98 4.44 -0.03 0.60 1.43 -1.26 0.09 118.68 119.98 1mdu s LEU 57 Ca 0.57 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 1mdu s LEU 57 Cb -0.10 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 1mdu s LEU 57 CO 0.30 0.28 -0.25 -1.58 0.23 0.00 0.00 176.35 175.33 1mdu s GLN 58 N -1.33 2.12 -0.03 1.70 0.74 0.59 -4.93 119.66 118.52 1mdu s GLN 58 Ca 0.27 -0.90 0.06 0.00 0.05 0.00 0.00 55.36 54.84 1mdu s GLN 58 Cb -0.16 -2.00 -0.01 0.00 1.10 0.00 0.00 33.01 31.94 1mdu s GLN 58 CO 0.15 0.51 -0.20 0.71 -0.55 0.00 0.00 175.29 175.91 1mdu s TYR 59 N -0.51 1.87 -0.17 1.67 1.51 -1.26 -0.77 117.35 119.69 1mdu s TYR 59 Ca 0.07 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1mdu s TYR 59 Cb -0.10 -1.23 0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1mdu s TYR 59 CO -0.00 -0.10 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.82 1mdu s ASP 60 N -0.26 2.81 -0.22 2.29 1.01 -0.57 -2.41 116.67 119.32 1mdu s ASP 60 Ca 0.02 -0.72 -0.13 0.00 0.71 0.00 0.00 52.55 52.44 1mdu s ASP 60 Cb -0.10 -0.73 -0.05 0.00 1.01 0.00 0.00 42.92 43.06 1mdu s ASP 60 CO 0.01 -0.25 0.26 -0.76 0.21 0.00 0.00 175.17 174.64 1mdu s LEU 61 N 1.76 4.15 -0.09 1.23 1.43 -0.32 -1.58 118.68 125.26 1mdu s LEU 61 Ca -0.00 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1mdu s LEU 61 Cb -0.16 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1mdu s LEU 61 CO -0.07 0.02 -0.22 -1.00 0.23 0.00 0.00 176.35 175.31 1mdu s HIS 62 N 1.07 2.33 -0.22 0.29 3.76 0.13 0.05 115.29 122.70 1mdu s HIS 62 Ca 0.13 -0.94 -0.04 0.00 -0.15 0.00 0.00 55.06 54.06 1mdu s HIS 62 Cb -0.14 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 1mdu s HIS 62 CO 0.05 -0.39 -0.03 1.52 -0.85 0.00 0.00 174.74 175.05 1mdu s TYR 63 N 0.40 2.98 -0.20 1.40 -0.85 -0.14 0.13 117.35 121.06 1mdu s TYR 63 Ca -0.18 -0.81 -0.08 0.00 -0.52 0.00 0.00 57.07 55.49 1mdu s TYR 63 Cb -0.17 -2.11 -0.04 0.00 0.38 0.00 0.00 41.96 40.01 1mdu s TYR 63 CO 0.08 -0.48 0.07 -0.46 -1.52 0.00 0.00 175.55 173.24 1mdu s TRP 64 N 1.42 3.23 -0.21 -3.49 -0.00 0.37 -0.31 118.94 119.94 1mdu s TRP 64 Ca 0.05 0.02 -0.05 0.00 -0.00 0.00 0.00 56.10 56.12 1mdu s TRP 64 Cb -0.14 -2.12 -0.02 0.00 -0.00 0.00 0.00 33.47 31.19 1mdu s TRP 64 CO -0.02 0.07 -0.01 -0.51 -0.00 0.00 0.00 176.95 176.49 1mdu s LEU 65 N 0.61 3.16 0.44 5.86 1.43 -0.21 -1.28 118.68 128.68 1mdu s LEU 65 Ca 0.04 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 1mdu s LEU 65 Cb -0.13 -1.81 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 1mdu s LEU 65 CO 0.01 0.03 1.05 -0.83 0.23 0.00 0.00 176.35 176.84 1mdu s GLY 66 N 1.21 2.64 0.57 -3.19 0.00 -0.23 -2.05 107.32 106.28 1mdu s GLY 66 Ca 0.03 0.67 0.31 0.00 0.00 0.00 0.00 44.72 45.73 1mdu s GLY 66 CO 0.01 1.05 1.79 3.43 0.00 0.00 0.00 173.10 179.38 1mdu h ASN 67 N 2.10 0.00 0.00 1.64 -0.26 -1.64 -1.96 115.58 115.46 1mdu h ASN 67 Ca -0.49 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 1mdu h ASN 67 Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 1mdu h ASN 67 CO 0.61 0.00 -0.04 -1.84 -1.06 0.00 0.00 177.43 175.09 1mdu n GLU 68 N -3.83 1.61 -1.88 0.81 0.00 0.39 -5.02 120.64 112.72 1mdu n GLU 68 Ca 0.16 -2.03 -0.38 0.00 0.00 0.00 0.00 57.16 54.90 1mdu n GLU 68 Cb 0.96 -1.22 0.03 0.00 0.00 0.00 0.00 31.44 31.22 1mdu n GLU 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mdu s SER 70 N -1.05 6.35 0.49 0.00 1.04 -1.26 -4.88 113.70 114.39 1mdu s SER 70 Ca 0.70 1.76 0.24 0.00 0.48 0.00 0.00 55.95 59.13 1mdu s SER 70 Cb -0.38 -2.53 1.30 0.00 0.10 0.00 0.00 66.02 64.50 1mdu s SER 70 CO 0.45 -0.78 1.93 -0.61 0.98 0.00 0.00 173.24 175.22 1mdu h GLN 71 N 1.10 0.15 0.00 4.02 4.15 -1.99 0.26 115.11 122.79 1mdu h GLN 71 Ca -0.48 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 1mdu h GLN 71 Cb 1.20 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1mdu h GLN 71 CO 0.60 0.10 -0.24 0.38 -1.93 0.00 0.00 178.83 177.74 1mdu h ASP 72 N 0.15 0.00 0.21 -0.69 2.03 -1.99 -1.32 116.42 114.81 1mdu h ASP 72 Ca 0.35 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.34 1mdu h ASP 72 Cb 1.16 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.69 1mdu h ASP 72 CO -0.05 0.24 -1.41 -0.33 -1.03 0.00 0.00 179.24 176.65 1mdu h GLU 73 N 0.00 0.44 0.00 4.15 5.08 -0.86 -2.37 114.58 121.01 1mdu h GLU 73 Ca -0.00 -0.75 -0.08 0.00 -1.00 0.00 0.00 59.36 57.53 1mdu h GLU 73 Cb 0.61 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1mdu h GLU 73 CO 0.03 1.36 -0.38 0.66 -1.00 0.00 0.00 179.01 179.68 1mdu h SER 74 N -0.00 0.00 0.03 1.42 4.64 -1.46 -0.54 113.55 117.63 1mdu h SER 74 Ca -0.26 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1mdu h SER 74 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1mdu h SER 74 CO 0.21 0.38 -0.01 1.23 -0.87 0.00 0.00 176.83 177.77 1mdu h GLY 75 N 3.10 -0.04 1.01 -0.77 0.00 -1.32 -2.83 103.07 102.21 1mdu h GLY 75 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1mdu h GLY 75 CO 0.05 -0.02 0.46 0.00 0.00 0.00 0.00 176.54 177.03 1mdu h ALA 76 N 0.37 0.88 -0.78 3.60 0.00 -1.39 -1.73 119.26 120.22 1mdu h ALA 76 Ca -0.00 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1mdu h ALA 76 Cb 0.52 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1mdu h ALA 76 CO 0.01 0.30 0.51 0.00 0.00 0.00 0.00 179.25 180.07 1mdu h ALA 77 N 1.25 1.83 0.06 0.00 0.00 -1.11 0.12 119.26 121.42 1mdu h ALA 77 Ca 0.25 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1mdu h ALA 77 Cb -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mdu h ALA 77 CO -0.06 -0.00 -1.10 0.00 0.00 0.00 0.00 179.25 178.09 1mdu h ALA 78 N 1.62 0.17 -0.31 0.00 0.00 -1.13 -2.76 119.26 116.85 1mdu h ALA 78 Ca 0.36 -0.75 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1mdu h ALA 78 Cb 0.52 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1mdu h ALA 78 CO -0.14 0.78 -0.49 0.82 0.00 0.00 0.00 179.25 180.22 1mdu h ILE 79 N 0.25 1.27 -0.66 0.00 2.04 -0.49 -2.43 117.51 117.49 1mdu h ILE 79 Ca -0.13 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.03 1mdu h ILE 79 Cb 1.76 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 1mdu h ILE 79 CO 0.20 0.55 0.31 -0.26 0.00 0.00 0.00 178.15 178.95 1mdu h PHE 80 N 0.69 0.95 -0.44 1.37 0.05 -0.88 0.65 116.94 119.34 1mdu h PHE 80 Ca 0.03 -0.05 0.06 0.00 3.82 0.00 0.00 57.97 61.83 1mdu h PHE 80 Cb 1.09 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 38.70 1mdu h PHE 80 CO 0.07 0.72 0.13 1.15 -0.18 0.00 0.00 178.31 180.20 1mdu h THR 81 N 0.91 0.83 -0.17 -1.55 2.02 -1.37 0.57 112.91 114.15 1mdu h THR 81 Ca 0.23 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1mdu h THR 81 Cb 0.12 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1mdu h THR 81 CO -0.03 0.05 0.02 0.58 0.37 0.00 0.00 175.52 176.52 1mdu h VAL 82 N 0.29 1.23 -0.88 3.16 2.07 -0.97 -0.08 116.25 121.06 1mdu h VAL 82 Ca 0.21 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1mdu h VAL 82 Cb 0.23 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1mdu h VAL 82 CO -0.24 0.23 0.54 1.56 0.02 0.00 0.00 177.57 179.68 1mdu h GLN 83 N 0.07 1.19 -0.43 1.57 4.20 -0.46 -0.59 115.11 120.67 1mdu h GLN 83 Ca 0.05 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1mdu h GLN 83 Cb 0.32 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1mdu h GLN 83 CO 0.00 0.83 -0.25 1.25 -0.67 0.00 0.00 178.83 180.00 1mdu h LEU 84 N 1.22 0.93 -0.53 1.46 5.85 0.38 -0.94 115.31 123.68 1mdu h LEU 84 Ca 0.32 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1mdu h LEU 84 Cb -0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1mdu h LEU 84 CO -0.06 1.13 0.11 -0.78 -0.34 0.00 0.00 178.44 178.50 1mdu h ASP 85 N 0.78 0.82 -0.90 1.25 1.82 -0.38 -1.90 116.42 117.91 1mdu h ASP 85 Ca 0.10 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.48 1mdu h ASP 85 Cb 0.81 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 40.56 1mdu h ASP 85 CO 0.07 0.85 0.50 0.44 -1.61 0.00 0.00 179.24 179.49 1mdu h ASP 86 N 0.75 1.12 -0.75 2.28 3.32 -0.98 0.78 116.42 122.94 1mdu h ASP 86 Ca 0.16 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1mdu h ASP 86 Cb 0.36 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1mdu h ASP 86 CO 0.00 0.89 0.50 0.22 -1.72 0.00 0.00 179.24 179.13 1mdu h TYR 87 N 1.25 0.94 -0.44 4.55 3.20 -0.72 -1.16 116.97 124.60 1mdu h TYR 87 Ca 0.32 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.99 1mdu h TYR 87 Cb 0.02 -0.32 -0.13 0.00 1.54 0.00 0.00 36.73 37.84 1mdu h TYR 87 CO 0.01 0.59 0.28 1.28 -1.64 0.00 0.00 178.16 178.68 1mdu n LEU 88 N -4.42 4.60 -3.08 2.82 4.77 -0.53 -4.83 117.00 116.32 1mdu n LEU 88 Ca 0.08 -2.40 -0.22 0.00 -0.03 0.00 0.00 56.01 53.44 1mdu n LEU 88 Cb 0.03 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1mdu n LEU 88 CO 0.36 0.73 -0.02 0.59 -1.33 0.00 0.00 177.39 177.72 1mdu n ASN 89 N -0.21 -5.46 -0.71 -1.43 3.02 -0.44 -1.91 115.26 108.11 1mdu n ASN 89 Ca 0.26 -0.29 -0.09 0.00 -0.03 0.00 0.00 54.58 54.43 1mdu n ASN 89 Cb 1.01 -4.44 -0.04 0.00 -0.61 0.00 0.00 39.78 35.70 1mdu n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mdu n GLY 90 N -1.41 0.91 0.15 7.41 0.00 0.26 -4.85 105.19 107.66 1mdu n GLY 90 Ca -0.09 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1mdu n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mdu h ARG 91 N 0.03 0.00 -7.20 1.61 3.08 -1.52 -3.45 114.38 106.93 1mdu h ARG 91 Ca -0.19 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.38 1mdu h ARG 91 Cb 1.10 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.19 1mdu h ARG 91 CO 0.28 0.00 0.38 0.00 -1.07 0.00 0.00 179.97 179.56 1mdu s ALA 92 N -3.19 2.92 -0.21 0.04 0.00 -1.26 -4.65 121.76 115.40 1mdu s ALA 92 Ca 0.08 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 1mdu s ALA 92 Cb 0.10 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1mdu s ALA 92 CO 0.58 -0.52 0.04 0.08 0.00 0.00 0.00 175.76 175.94 1mdu s VAL 93 N -2.58 4.22 0.27 0.00 1.01 -1.01 -4.94 120.40 117.37 1mdu s VAL 93 Ca 0.61 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 1mdu s VAL 93 Cb -0.13 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1mdu s VAL 93 CO 0.35 0.40 0.76 -1.10 0.00 0.00 0.00 175.10 175.51 1mdu s GLN 94 N 1.11 4.20 -0.11 2.72 -0.21 -1.26 -1.17 119.66 124.94 1mdu s GLN 94 Ca 0.03 0.86 -0.05 0.00 0.02 0.00 0.00 55.36 56.23 1mdu s GLN 94 Cb -0.14 -2.69 0.05 0.00 1.00 0.00 0.00 33.01 31.23 1mdu s GLN 94 CO 0.02 0.29 0.24 -1.01 -2.12 0.00 0.00 175.29 172.71 1mdu s HIS 95 N -1.71 -0.34 -0.11 0.91 3.76 0.11 -4.93 115.29 112.96 1mdu s HIS 95 Ca 0.48 0.82 -0.19 0.00 -0.15 0.00 0.00 55.06 56.02 1mdu s HIS 95 Cb -0.14 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.50 1mdu s HIS 95 CO 0.20 -0.27 0.52 0.50 -0.85 0.00 0.00 174.74 174.83 1mdu s ARG 96 N 1.72 4.35 -0.06 1.40 3.52 -1.26 -0.97 118.95 127.65 1mdu s ARG 96 Ca -0.05 0.52 0.04 0.00 -0.13 0.00 0.00 55.73 56.12 1mdu s ARG 96 Cb -0.11 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1mdu s ARG 96 CO -0.08 0.13 -0.19 -1.21 -0.81 0.00 0.00 175.30 173.13 1mdu s GLU 97 N 0.71 2.18 -0.14 5.12 0.41 0.58 -4.92 118.70 122.64 1mdu s GLU 97 Ca 0.28 -0.69 -0.00 0.00 -0.41 0.00 0.00 54.97 54.15 1mdu s GLU 97 Cb -0.16 -1.80 -0.01 0.00 -1.78 0.00 0.00 34.13 30.39 1mdu s GLU 97 CO 0.12 0.22 -0.13 0.08 -0.49 0.00 0.00 175.26 175.05 1mdu s VAL 98 N 0.16 2.96 -0.43 2.63 1.01 -1.26 -1.05 120.40 124.42 1mdu s VAL 98 Ca -0.09 -0.69 -0.46 0.00 0.00 0.00 0.00 61.98 60.75 1mdu s VAL 98 Cb -0.14 -2.25 -0.20 0.00 0.00 0.00 0.00 36.38 33.80 1mdu s VAL 98 CO 0.04 0.52 1.53 1.67 0.00 0.00 0.00 175.10 178.86 1mdu n GLN 99 N 3.70 0.01 -0.48 2.72 7.27 -0.87 -0.52 117.38 129.20 1mdu n GLN 99 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1mdu n GLN 99 Cb 0.52 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.67 1mdu n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1mdu n GLY 100 N 3.67 1.10 0.80 1.69 0.00 -1.26 -4.83 105.19 106.36 1mdu n GLY 100 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1mdu n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mdu n PHE 101 N -2.00 0.00 -1.72 1.61 3.01 0.32 -5.11 117.46 113.57 1mdu n PHE 101 Ca 0.00 -0.24 -0.37 0.00 1.01 0.00 0.00 57.45 57.85 1mdu n PHE 101 Cb 0.00 -0.09 0.06 0.00 -0.01 0.00 0.00 39.48 39.44 1mdu n PHE 101 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1mdu n GLU 102 N 0.07 1.16 -1.47 -1.08 4.71 -1.18 -4.70 120.64 118.15 1mdu n GLU 102 Ca 0.03 0.45 -0.32 0.00 -0.01 0.00 0.00 57.16 57.31 1mdu n GLU 102 Cb 0.84 -2.49 0.07 0.00 -1.01 0.00 0.00 31.44 28.85 1mdu n GLU 102 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1mdu s SER 103 N -1.30 4.82 0.26 1.62 1.04 -1.26 -4.86 113.70 114.01 1mdu s SER 103 Ca 0.81 1.86 -0.04 0.00 0.48 0.00 0.00 55.95 59.05 1mdu s SER 103 Cb -0.39 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 63.54 1mdu s SER 103 CO 0.42 -1.82 1.90 0.00 0.98 0.00 0.00 173.24 174.72 1mdu h ALA 104 N -0.68 1.34 -0.37 5.32 0.00 -1.99 -1.75 119.26 121.13 1mdu h ALA 104 Ca -0.45 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1mdu h ALA 104 Cb 1.23 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1mdu h ALA 104 CO 0.53 0.54 0.21 1.15 0.00 0.00 0.00 179.25 181.68 1mdu h THR 105 N 1.26 1.03 0.00 0.00 2.02 -1.98 0.75 112.91 115.99 1mdu h THR 105 Ca 0.40 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 1mdu h THR 105 Cb 0.02 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1mdu h THR 105 CO -0.13 0.08 -0.00 0.15 0.37 0.00 0.00 175.52 175.99 1mdu h PHE 106 N 0.43 -0.00 -0.55 3.16 3.57 -1.81 -2.92 116.94 118.81 1mdu h PHE 106 Ca 0.15 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1mdu h PHE 106 Cb 0.02 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1mdu h PHE 106 CO -0.08 0.12 0.35 -0.07 -2.23 0.00 0.00 178.31 176.40 1mdu h LEU 107 N -0.12 0.58 -1.35 0.59 3.38 -1.17 -1.83 115.31 115.38 1mdu h LEU 107 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mdu h LEU 107 Cb 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1mdu h LEU 107 CO 0.00 0.41 0.16 1.23 0.09 0.00 0.00 178.44 180.33 1mdu h GLY 108 N 0.70 0.00 2.00 0.83 0.00 -0.66 -1.11 103.07 104.83 1mdu h GLY 108 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1mdu h GLY 108 CO -0.08 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.74 1mdu n TYR 109 N -2.28 0.85 -3.98 5.60 4.01 -0.69 -4.74 117.16 115.93 1mdu n TYR 109 Ca -0.01 0.30 -0.35 0.00 -0.16 0.00 0.00 57.90 57.68 1mdu n TYR 109 Cb 0.19 -0.99 -0.11 0.00 -0.31 0.00 0.00 39.34 38.12 1mdu n TYR 109 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1mdu s PHE 110 N -3.24 3.17 0.21 -0.72 0.40 -0.42 -5.00 117.98 112.38 1mdu s PHE 110 Ca 0.06 -0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.09 1mdu s PHE 110 Cb 0.10 -2.12 0.20 0.00 0.51 0.00 0.00 43.02 41.71 1mdu s PHE 110 CO 0.46 -0.04 1.58 1.57 0.70 0.00 0.00 175.22 179.49 1mdu h LYS 111 N 7.22 -0.08 0.00 0.44 2.10 -1.87 -3.42 116.57 120.96 1mdu h LYS 111 Ca -0.36 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1mdu h LYS 111 Cb 1.17 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1mdu h LYS 111 CO 0.65 -0.05 0.00 -1.13 -2.00 0.00 0.00 179.45 176.91 1mdu n SER 112 N -5.46 0.65 -2.39 7.07 3.41 -1.26 -5.13 113.62 110.51 1mdu n SER 112 Ca 0.07 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1mdu n SER 112 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1mdu n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mdu n GLY 113 N 5.00 -1.52 3.95 5.00 0.00 -1.26 -5.02 105.19 111.34 1mdu n GLY 113 Ca 0.00 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1mdu n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mdu s LEU 114 N 0.00 4.31 -0.33 0.99 1.43 -1.26 -4.94 118.68 118.88 1mdu s LEU 114 Ca 0.00 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1mdu s LEU 114 Cb 0.00 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.39 1mdu s LEU 114 CO 0.00 -0.01 0.05 -0.75 0.23 0.00 0.00 176.35 175.87 1mdu s LYS 115 N -3.56 1.34 -0.19 1.70 2.20 -0.08 -5.03 119.74 116.12 1mdu s LYS 115 Ca 0.35 -1.64 -0.26 0.00 -0.36 0.00 0.00 55.97 54.06 1mdu s LYS 115 Cb -0.10 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1mdu s LYS 115 CO 0.29 -0.92 0.86 0.71 -0.36 0.00 0.00 175.35 175.93 1mdu s TYR 116 N 1.09 3.39 -0.07 4.03 2.02 -1.26 -1.55 117.35 125.01 1mdu s TYR 116 Ca 0.09 1.27 0.03 0.00 -0.37 0.00 0.00 57.07 58.09 1mdu s TYR 116 Cb -0.19 -3.06 -0.02 0.00 -0.40 0.00 0.00 41.96 38.29 1mdu s TYR 116 CO -0.12 -0.30 -0.13 0.15 -1.57 0.00 0.00 175.55 173.58 1mdu s LYS 117 N 2.39 2.70 0.37 -0.62 1.02 -0.10 -4.93 119.74 120.57 1mdu s LYS 117 Ca 0.39 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.42 1mdu s LYS 117 Cb -0.16 -2.45 -0.10 0.00 -0.52 0.00 0.00 37.83 34.60 1mdu s LYS 117 CO 0.11 0.55 1.34 0.15 -0.92 0.00 0.00 175.35 176.57 1mdu s LYS 118 N -0.52 4.17 0.74 1.68 -0.14 -1.26 -0.64 119.74 123.77 1mdu s LYS 118 Ca 0.07 2.26 0.00 0.00 -1.36 0.00 0.00 55.97 56.94 1mdu s LYS 118 Cb -0.12 -2.94 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 1mdu s LYS 118 CO 0.02 -0.36 0.00 0.41 -0.76 0.00 0.00 175.35 174.65 1mdu n GLY 119 N 0.69 -0.45 0.00 -3.33 0.00 -1.26 -4.84 105.19 96.00 1mdu n GLY 119 Ca 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1mdu n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mdu n GLY 120 N 0.00 -0.14 3.82 -0.02 0.00 -1.26 -0.54 105.19 107.05 1mdu n GLY 120 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1mdu n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mdu s VAL 121 N -2.03 4.54 0.71 1.61 0.11 -1.26 -5.03 120.40 119.06 1mdu s VAL 121 Ca 0.00 1.29 -0.15 0.00 -2.93 0.00 0.00 61.98 60.19 1mdu s VAL 121 Cb 0.00 -3.82 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1mdu s VAL 121 CO 0.00 0.10 1.19 0.00 -3.33 0.00 0.00 175.10 173.06 1mdu s ALA 122 N -1.65 2.19 0.84 1.54 0.00 -1.26 -4.91 121.76 118.52 1mdu s ALA 122 Ca 0.47 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1mdu s ALA 122 Cb -0.15 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.63 1mdu s ALA 122 CO 0.20 -1.74 1.16 0.45 0.00 0.00 0.00 175.76 175.83 1mdu s SER 123 N -2.12 3.47 0.22 0.00 0.15 -1.26 -4.44 113.70 109.71 1mdu s SER 123 Ca 0.73 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.82 1mdu s SER 123 Cb -0.27 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.62 1mdu s SER 123 CO 0.44 -2.74 1.22 1.23 1.20 0.00 0.00 173.24 174.59 1mdu h GLY 124 N -1.31 0.00 0.94 9.45 0.00 -1.94 -3.47 103.07 106.74 1mdu h GLY 124 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1mdu h GLY 124 CO 0.45 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.68