#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hds n LEU 2 N 0.00 0.00 -2.32 3.17 -0.00 -1.26 -5.04 117.00 111.55 1hds n LEU 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1hds n LEU 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1hds n LEU 2 CO 0.00 0.00 -0.52 0.35 -0.00 0.00 0.00 177.39 177.22 1hds n THR 3 N 0.00-11.62 -3.49 1.96 -2.24 -1.26 -4.61 114.28 93.02 1hds n THR 3 Ca 0.00 2.52 -0.37 0.00 -2.27 0.00 0.00 64.05 63.93 1hds n THR 3 Cb 0.00 -5.94 -0.06 0.00 -2.10 0.00 0.00 70.33 62.23 1hds n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hds s ALA 4 N -0.54 3.61 -0.04 6.98 0.00 -1.26 -4.24 121.76 126.28 1hds s ALA 4 Ca -0.15 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1hds s ALA 4 Cb 0.01 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1hds s ALA 4 CO 0.42 0.22 -0.23 -1.21 0.00 0.00 0.00 175.76 174.96 1hds s GLU 5 N -0.07 2.31 0.00 0.00 8.01 -1.26 -4.99 118.70 122.70 1hds s GLU 5 Ca 0.21 -0.87 0.00 0.00 0.01 0.00 0.00 54.97 54.31 1hds s GLU 5 Cb -0.15 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 1hds s GLU 5 CO 0.08 0.53 0.00 -0.85 0.01 0.00 0.00 175.26 175.03 1hds n GLU 6 N 2.55 0.00 0.00 1.61 0.28 -1.26 -4.61 120.64 119.21 1hds n GLU 6 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1hds n GLU 6 Cb 0.51 -0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 1hds n GLU 6 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1hds n LYS 7 N -0.00 0.00 -2.66 3.44 2.85 -1.26 -4.63 118.16 115.89 1hds n LYS 7 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 1hds n LYS 7 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 1hds n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hds n ALA 8 N 0.00 -2.64 -0.36 0.58 0.00 -1.26 -4.05 120.51 112.78 1hds n ALA 8 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1hds n ALA 8 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1hds n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hds n ALA 9 N 0.04 0.00 -0.02 0.00 0.00 -1.26 -4.92 120.51 114.35 1hds n ALA 9 Ca -0.14 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.50 1hds n ALA 9 Cb 0.71 0.08 0.46 0.00 0.00 0.00 0.00 19.45 20.70 1hds n ALA 9 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1hds h VAL 10 N 0.00 0.08 -1.89 0.00 -1.51 -1.82 -3.34 116.25 107.77 1hds h VAL 10 Ca 0.00 0.00 -0.78 0.00 -1.23 0.00 0.00 66.70 64.69 1hds h VAL 10 Cb 0.00 0.19 -0.21 0.00 -2.13 0.00 0.00 31.29 29.13 1hds h VAL 10 CO 0.00 0.00 1.54 0.35 -1.23 0.00 0.00 177.57 178.23 1hds n THR 11 N -3.19 5.66 0.00 7.19 -2.24 -1.26 0.27 114.28 120.71 1hds n THR 11 Ca 0.14 -5.33 0.00 0.00 -2.27 0.00 0.00 64.05 56.59 1hds n THR 11 Cb 1.17 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1hds n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hds n GLY 12 N 0.83 0.25 0.38 3.38 0.00 -1.25 -3.52 105.19 105.25 1hds n GLY 12 Ca 0.50 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.93 1hds n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1hds h PHE 13 N 0.00 -1.04 0.00 1.61 3.04 -0.37 -3.37 116.94 116.80 1hds h PHE 13 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1hds h PHE 13 Cb 0.00 0.45 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1hds h PHE 13 CO 0.00 -0.47 0.00 1.87 -2.02 0.00 0.00 178.31 177.69 1hds n TRP 14 N -5.44 0.00 -1.73 0.41 -0.00 -1.23 -4.00 117.44 105.46 1hds n TRP 14 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.02 1hds n TRP 14 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.64 1hds n TRP 14 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1hds s GLY 15 N 0.00 1.25 0.00 5.87 0.00 -1.26 -2.99 107.32 110.19 1hds s GLY 15 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1hds s GLY 15 CO 0.00 3.46 0.00 0.28 0.00 0.00 0.00 173.10 176.84 1hds n LYS 16 N 7.76 0.00 -3.61 2.90 5.02 -1.26 -4.72 118.16 124.25 1hds n LYS 16 Ca 0.22 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.53 1hds n LYS 16 Cb 0.42 -0.15 -0.03 0.00 -0.02 0.00 0.00 35.03 35.25 1hds n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1hds s VAL 17 N -0.03 0.00 0.02 -0.18 -7.23 -1.16 -4.96 120.40 106.86 1hds s VAL 17 Ca 0.00 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.25 1hds s VAL 17 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1hds s VAL 17 CO 0.00 0.00 -0.23 -0.62 -0.31 0.00 0.00 175.10 173.94 1hds s ASP 18 N -1.61 2.69 0.36 4.85 -1.08 -1.26 -5.07 116.67 115.56 1hds s ASP 18 Ca 0.08 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1hds s ASP 18 Cb -0.01 -0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 1hds s ASP 18 CO -0.05 0.23 0.00 0.52 0.52 0.00 0.00 175.17 176.39 1hds n VAL 19 N 2.11 0.00 0.00 1.11 0.31 -1.26 -3.32 118.33 117.28 1hds n VAL 19 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1hds n VAL 19 Cb 0.53 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1hds n VAL 19 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hds n ASP 20 N -1.09 0.00 -0.26 4.52 8.00 -1.26 -3.56 116.55 122.90 1hds n ASP 20 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1hds n ASP 20 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1hds n ASP 20 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1hds h VAL 21 N 0.00 1.23 -0.03 2.53 3.04 -1.98 -1.28 116.25 119.75 1hds h VAL 21 Ca 0.00 -0.60 0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1hds h VAL 21 Cb 0.00 0.32 -0.03 0.00 -2.01 0.00 0.00 31.29 29.57 1hds h VAL 21 CO 0.00 0.26 -0.28 0.58 -1.01 0.00 0.00 177.57 177.12 1hds h VAL 22 N 0.98 0.00 -0.94 1.51 2.07 -1.60 -3.18 116.25 115.09 1hds h VAL 22 Ca 0.25 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.04 1hds h VAL 22 Cb 0.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.70 1hds h VAL 22 CO -0.04 0.00 0.39 1.23 0.02 0.00 0.00 177.57 179.17 1hds h GLY 23 N -0.33 1.68 1.72 2.17 0.00 -1.77 0.51 103.07 107.06 1hds h GLY 23 Ca 0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 1hds h GLY 23 CO -0.21 -0.42 -1.19 0.00 0.00 0.00 0.00 176.54 174.72 1hds h ALA 24 N 1.81 0.39 -0.36 3.60 0.00 -1.30 0.60 119.26 124.00 1hds h ALA 24 Ca 0.64 -1.02 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1hds h ALA 24 Cb 1.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1hds h ALA 24 CO -0.63 1.27 -0.21 0.94 0.00 0.00 0.00 179.25 180.61 1hds n GLN 25 N -3.33 -0.16 0.14 0.00 7.27 -1.01 -1.54 117.38 118.75 1hds n GLN 25 Ca -0.05 1.03 -0.06 0.00 0.07 0.00 0.00 57.00 57.99 1hds n GLN 25 Cb 0.98 -1.53 -0.03 0.00 2.41 0.00 0.00 30.24 32.07 1hds n GLN 25 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hds h ALA 26 N -0.31 -0.58 0.00 1.69 0.00 0.00 -3.03 119.26 117.03 1hds h ALA 26 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hds h ALA 26 Cb 0.15 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hds h ALA 26 CO -0.34 -0.55 0.00 1.25 0.00 0.00 0.00 179.25 179.61 1hds h LEU 27 N -0.70 0.00 0.00 0.00 6.46 0.15 -2.98 115.31 118.24 1hds h LEU 27 Ca -0.04 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.50 1hds h LEU 27 Cb 0.30 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1hds h LEU 27 CO 0.07 0.00 -1.77 0.61 -0.62 0.00 0.00 178.44 176.72 1hds n GLY 28 N -1.04 -1.09 0.20 3.75 0.00 -0.59 -2.98 105.19 103.44 1hds n GLY 28 Ca -0.01 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1hds n GLY 28 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hds h ARG 29 N 0.00 0.73 0.02 1.61 2.47 -1.53 -0.52 114.38 117.15 1hds h ARG 29 Ca -0.26 -0.71 -0.00 0.00 -1.26 0.00 0.00 59.98 57.75 1hds h ARG 29 Cb 1.74 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 30.25 1hds h ARG 29 CO 0.04 1.30 -0.01 1.25 0.56 0.00 0.00 179.97 183.11 1hds h LEU 30 N 0.43 -0.02 0.67 3.04 5.85 -1.69 -0.92 115.31 122.67 1hds h LEU 30 Ca -0.10 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1hds h LEU 30 Cb 1.58 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.62 1hds h LEU 30 CO 0.19 0.54 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.44 1hds h LEU 31 N -0.59 -0.76 -0.28 2.25 3.38 -1.46 -1.49 115.31 116.36 1hds h LEU 31 Ca -0.00 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1hds h LEU 31 Cb 0.56 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1hds h LEU 31 CO 0.00 -0.41 -0.73 -0.37 0.09 0.00 0.00 178.44 177.02 1hds h VAL 32 N -1.18 1.31 -0.03 1.22 -1.51 -0.97 -3.36 116.25 111.74 1hds h VAL 32 Ca -0.09 -2.01 -0.02 0.00 -1.23 0.00 0.00 66.70 63.35 1hds h VAL 32 Cb 0.69 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1hds h VAL 32 CO 0.15 0.62 -0.08 1.62 -1.23 0.00 0.00 177.57 178.66 1hds h VAL 33 N 0.45 1.46 -3.56 7.19 3.04 -1.01 -3.38 116.25 120.44 1hds h VAL 33 Ca -0.04 -1.48 -0.74 0.00 -1.01 0.00 0.00 66.70 63.44 1hds h VAL 33 Cb 1.34 2.38 -0.32 0.00 -2.01 0.00 0.00 31.29 32.68 1hds h VAL 33 CO 0.14 0.40 -0.05 -0.31 -1.01 0.00 0.00 177.57 176.74 1hds s TYR 34 N -3.80 3.76 0.50 3.17 1.51 -0.58 -4.96 117.35 116.95 1hds s TYR 34 Ca -0.16 -2.62 0.31 0.00 -1.01 0.00 0.00 57.07 53.59 1hds s TYR 34 Cb 0.02 -3.46 1.41 0.00 -0.11 0.00 0.00 41.96 39.82 1hds s TYR 34 CO 0.70 -0.86 1.80 -1.00 -1.11 0.00 0.00 175.55 175.08 1hds h PRO 35 N 6.87 0.11 0.00 -1.71 0.13 -1.74 0.10 132.00 135.77 1hds h PRO 35 Ca 0.09 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1hds h PRO 35 Cb 0.92 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1hds h PRO 35 CO 0.80 0.07 -0.11 0.11 -0.23 0.00 0.00 178.00 178.64 1hds h TRP 36 N 0.12 0.00 -0.97 1.56 0.09 -1.90 -3.31 115.95 111.54 1hds h TRP 36 Ca 0.56 0.00 0.18 0.00 0.09 0.00 0.00 58.89 59.72 1hds h TRP 36 Cb 1.97 0.00 -0.17 0.00 0.08 0.00 0.00 29.16 31.04 1hds h TRP 36 CO -0.00 0.11 -0.29 -2.37 0.09 0.00 0.00 178.44 175.98 1hds n THR 37 N -4.02 -0.44 -0.36 0.12 5.66 0.36 0.07 114.28 115.67 1hds n THR 37 Ca -0.02 2.24 0.28 0.00 -3.05 0.00 0.00 64.05 63.50 1hds n THR 37 Cb 0.20 -3.05 0.57 0.00 -1.55 0.00 0.00 70.33 66.50 1hds n THR 37 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1hds h GLN 38 N 0.00 0.26 -0.61 1.09 4.15 -1.83 -3.15 115.11 115.02 1hds h GLN 38 Ca 0.42 -0.02 0.18 0.00 0.77 0.00 0.00 58.65 60.00 1hds h GLN 38 Cb 0.67 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1hds h GLN 38 CO -0.99 0.17 0.66 -0.09 -1.93 0.00 0.00 178.83 176.65 1hds h ARG 39 N 0.27 0.00 0.00 1.69 2.43 -0.62 -1.40 114.38 116.74 1hds h ARG 39 Ca 0.67 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.77 1hds h ARG 39 Cb 1.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 1hds h ARG 39 CO -0.32 0.00 -0.46 0.74 -1.51 0.00 0.00 179.97 178.41 1hds h PHE 40 N 0.00 0.00 -0.35 2.20 -1.00 -1.75 -3.40 116.94 112.64 1hds h PHE 40 Ca 0.29 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.53 1hds h PHE 40 Cb 1.60 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.14 1hds h PHE 40 CO 0.00 0.83 1.90 1.19 -1.61 0.00 0.00 178.31 180.62 1hds n PHE 41 N -4.59 2.96 0.55 -0.55 3.01 -0.53 -4.81 117.46 113.50 1hds n PHE 41 Ca -0.15 -2.02 0.06 0.00 1.01 0.00 0.00 57.45 56.36 1hds n PHE 41 Cb 0.43 -2.35 -0.03 0.00 -0.01 0.00 0.00 39.48 37.51 1hds n PHE 41 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1hds n GLN 42 N 7.67 2.48 0.00 -1.08 6.02 -1.26 -4.07 117.38 127.14 1hds n GLN 42 Ca 0.48 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1hds n GLN 42 Cb 0.44 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.59 1hds n GLN 42 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1hds n HIS 43 N -0.70 0.00 0.00 1.08 8.25 -1.26 -4.49 115.22 118.10 1hds n HIS 43 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1hds n HIS 43 Cb 0.22 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1hds n HIS 43 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1hds n PHE 44 N -0.26 0.00 0.00 4.41 0.99 -1.26 -5.15 117.46 116.20 1hds n PHE 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1hds n PHE 44 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1hds n PHE 44 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hds n GLY 45 N -0.74 0.24 3.53 1.37 0.00 -1.26 -4.95 105.19 103.37 1hds n GLY 45 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1hds n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hds n ASN 46 N 0.00 0.25 -0.86 1.61 2.85 -1.26 -4.68 115.26 113.17 1hds n ASN 46 Ca 0.00 -1.00 0.05 0.00 -0.11 0.00 0.00 54.58 53.52 1hds n ASN 46 Cb 0.00 -1.12 0.13 0.00 1.24 0.00 0.00 39.78 40.03 1hds n ASN 46 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1hds n LEU 47 N 12.35 1.95 -1.29 1.20 4.32 -1.26 -3.66 117.00 130.60 1hds n LEU 47 Ca 0.57 -3.03 0.00 0.00 -0.02 0.00 0.00 56.01 53.53 1hds n LEU 47 Cb 0.29 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1hds n LEU 47 CO 0.81 0.98 0.49 -1.20 -1.22 0.00 0.00 177.39 177.25 1hds n SER 48 N -0.53 2.74 0.00 -1.43 7.64 -1.26 -4.68 113.62 116.09 1hds n SER 48 Ca 0.13 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1hds n SER 48 Cb 0.84 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1hds n SER 48 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1hds n SER 49 N 1.11 0.00 -0.34 6.43 3.41 -1.26 -4.89 113.62 118.07 1hds n SER 49 Ca 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 58.87 58.83 1hds n SER 49 Cb 0.34 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.75 1hds n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hds h ALA 50 N 0.00 1.98 0.00 7.33 0.00 -1.98 0.21 119.26 126.80 1hds h ALA 50 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hds h ALA 50 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hds h ALA 50 CO 0.00 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.14 1hds n GLY 51 N -1.34 -0.16 2.12 0.00 0.00 -1.26 -2.14 105.19 102.41 1hds n GLY 51 Ca 0.30 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1hds n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hds n ALA 52 N -0.13 4.52 -0.10 4.61 0.00 0.72 -0.32 120.51 129.81 1hds n ALA 52 Ca 0.00 -3.58 -0.19 0.00 0.00 0.00 0.00 53.44 49.67 1hds n ALA 52 Cb 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 1hds n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1hds n VAL 53 N -0.69 1.55 -0.04 0.00 0.24 -1.22 -2.62 118.33 115.54 1hds n VAL 53 Ca 0.36 -0.58 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 1hds n VAL 53 Cb 0.93 -1.49 -0.13 0.00 -1.47 0.00 0.00 33.84 31.68 1hds n VAL 53 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1hds h MET 54 N 0.00 0.07 0.80 7.34 2.86 -0.14 -3.31 114.93 122.56 1hds h MET 54 Ca -0.55 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 56.93 1hds h MET 54 Cb 1.92 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.63 1hds h MET 54 CO -0.06 1.06 -0.46 -0.97 1.06 0.00 0.00 176.91 177.54 1hds h ASN 55 N -0.84 -1.14 -5.49 1.22 -0.00 -1.15 -3.41 115.58 104.77 1hds h ASN 55 Ca -0.06 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1hds h ASN 55 Cb 1.18 0.32 0.00 0.00 -0.00 0.00 0.00 38.32 39.83 1hds h ASN 55 CO 0.02 -0.72 0.00 -3.20 -0.00 0.00 0.00 177.43 173.53 1hds n ASN 56 N -5.37 0.00 -0.27 1.15 4.05 -1.08 -4.45 115.26 109.29 1hds n ASN 56 Ca -0.14 0.00 0.02 0.00 0.45 0.00 0.00 54.58 54.90 1hds n ASN 56 Cb 0.48 0.00 0.09 0.00 1.23 0.00 0.00 39.78 41.58 1hds n ASN 56 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1hds h PRO 57 N 1.53 -0.01 0.00 1.20 0.13 -1.88 2.64 132.00 135.61 1hds h PRO 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hds h PRO 57 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1hds h PRO 57 CO 0.00 -0.01 0.00 1.63 -0.23 0.00 0.00 178.00 179.39 1hds n LYS 58 N -5.51 0.00 0.00 0.86 4.76 -1.26 -3.13 118.16 113.88 1hds n LYS 58 Ca 0.11 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1hds n LYS 58 Cb 0.40 -0.27 0.00 0.00 -1.84 0.00 0.00 35.03 33.32 1hds n LYS 58 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1hds n VAL 59 N -0.93 0.00 0.00 -0.18 0.31 0.88 -2.20 118.33 116.20 1hds n VAL 59 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 1hds n VAL 59 Cb 0.00 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1hds n VAL 59 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1hds n LYS 60 N -0.11 0.00 0.00 5.55 5.02 -0.51 -0.59 118.16 127.52 1hds n LYS 60 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1hds n LYS 60 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1hds n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hds n ALA 61 N -1.24 0.00 0.10 7.82 0.00 -1.20 -0.14 120.51 125.85 1hds n ALA 61 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1hds n ALA 61 Cb 0.00 0.04 0.36 0.00 0.00 0.00 0.00 19.45 19.85 1hds n ALA 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h HIS 62 N 0.00 0.00 0.00 0.00 -0.00 -0.36 -2.79 115.15 112.01 1hds h HIS 62 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1hds h HIS 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1hds h HIS 62 CO -0.03 0.00 -0.00 0.78 -0.00 0.00 0.00 177.93 178.68 1hds h GLY 63 N 0.00 -0.01 0.00 5.26 0.00 0.00 -3.24 103.07 105.09 1hds h GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1hds h GLY 63 CO -0.00 -0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1hds n LYS 64 N -4.66 0.00 0.00 4.80 3.00 -1.06 -0.06 118.16 120.18 1hds n LYS 64 Ca -0.09 0.33 0.02 0.00 -0.00 0.00 0.00 58.31 58.57 1hds n LYS 64 Cb 0.42 -0.78 0.11 0.00 0.00 0.00 0.00 35.03 34.79 1hds n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1hds n ARG 65 N -0.70 0.01 -0.07 1.64 5.12 -1.18 0.38 116.66 121.86 1hds n ARG 65 Ca 0.00 0.40 -0.05 0.00 -1.93 0.00 0.00 57.85 56.27 1hds n ARG 65 Cb 0.00 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 1hds n ARG 65 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1hds h VAL 66 N 0.00 0.18 -0.66 1.55 2.07 -1.52 -3.08 116.25 114.79 1hds h VAL 66 Ca 0.00 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1hds h VAL 66 Cb 0.08 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1hds h VAL 66 CO 0.00 0.06 0.28 -0.07 0.02 0.00 0.00 177.57 177.86 1hds h LEU 67 N -1.00 0.90 -0.72 2.57 3.38 0.57 -1.86 115.31 119.15 1hds h LEU 67 Ca -0.03 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.86 1hds h LEU 67 Cb 0.40 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1hds h LEU 67 CO -0.02 0.81 0.39 0.44 0.09 0.00 0.00 178.44 180.15 1hds h ASP 68 N 0.93 0.56 0.54 -0.43 3.45 -0.18 -2.92 116.42 118.37 1hds h ASP 68 Ca 0.22 0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.70 1hds h ASP 68 Cb 0.18 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1hds h ASP 68 CO -0.02 0.34 -0.26 0.00 -1.57 0.00 0.00 179.24 177.74 1hds h ALA 69 N 1.39 -0.72 0.03 3.45 0.00 -1.39 -3.26 119.26 118.77 1hds h ALA 69 Ca 0.33 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 1hds h ALA 69 Cb 0.27 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1hds h ALA 69 CO -0.22 -0.88 -1.64 0.34 0.00 0.00 0.00 179.25 176.86 1hds n PHE 70 N -5.38 0.92 -1.61 0.00 -0.00 -0.73 -4.05 117.46 106.61 1hds n PHE 70 Ca -0.12 0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1hds n PHE 70 Cb 0.31 -1.10 0.00 0.00 -0.00 0.00 0.00 39.48 38.69 1hds n PHE 70 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1hds n THR 71 N -4.15 -0.07 0.00 -2.13 -1.04 -1.24 -0.44 114.28 105.22 1hds n THR 71 Ca -0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1hds n THR 71 Cb 0.80 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1hds n THR 71 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1hds n GLN 72 N -0.86 0.00 0.00 -2.82 -0.06 -1.23 -4.48 117.38 107.93 1hds n GLN 72 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1hds n GLN 72 Cb 0.41 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.59 1hds n GLN 72 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hds n GLY 73 N 0.00 0.00 0.32 1.69 0.00 0.42 -2.29 105.19 105.33 1hds n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hds n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hds h LEU 74 N 0.00 0.87 0.00 0.99 -0.00 -1.93 -2.07 115.31 113.17 1hds h LEU 74 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1hds h LEU 74 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 1hds h LEU 74 CO 0.00 0.57 0.00 1.17 -0.00 0.00 0.00 178.44 180.18 1hds n LYS 75 N -4.59 0.00 -3.25 1.13 0.00 -0.97 -4.57 118.16 105.90 1hds n LYS 75 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.01 1hds n LYS 75 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.10 1hds n LYS 75 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1hds s HIS 76 N 0.00 3.16 0.12 5.64 -3.43 -0.78 -4.97 115.29 115.02 1hds s HIS 76 Ca 0.00 -0.01 -0.06 0.00 -0.80 0.00 0.00 55.06 54.19 1hds s HIS 76 Cb 0.00 -2.97 -0.13 0.00 -1.43 0.00 0.00 32.58 28.05 1hds s HIS 76 CO 0.00 -0.62 1.27 -0.07 -2.00 0.00 0.00 174.74 173.32 1hds h LEU 77 N 9.16 0.60 0.00 5.38 4.07 -1.81 -3.39 115.31 129.32 1hds h LEU 77 Ca -0.27 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.20 1hds h LEU 77 Cb 1.12 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1hds h LEU 77 CO 0.79 1.29 0.00 -0.90 -1.08 0.00 0.00 178.44 178.55 1hds n ASP 78 N -3.75 0.00 -3.14 -0.43 5.68 -1.26 -1.91 116.55 111.73 1hds n ASP 78 Ca -0.08 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.04 1hds n ASP 78 Cb 0.86 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.81 1hds n ASP 78 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1hds n ASP 79 N 0.00 0.78 -0.28 -1.12 2.03 -1.26 -4.90 116.55 111.81 1hds n ASP 79 Ca 0.00 -3.01 0.08 0.00 0.52 0.00 0.00 54.79 52.39 1hds n ASP 79 Cb 0.00 -0.54 0.21 0.00 -0.72 0.00 0.00 41.12 40.07 1hds n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1hds h LEU 80 N 3.00 -0.21 -0.98 -2.67 -0.00 -1.58 -1.44 115.31 111.43 1hds h LEU 80 Ca 0.08 0.20 0.01 0.00 -0.00 0.00 0.00 57.88 58.17 1hds h LEU 80 Cb 0.99 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1hds h LEU 80 CO 0.49 -0.17 0.70 0.07 -0.00 0.00 0.00 178.44 179.53 1hds h LYS 81 N 0.15 0.00 0.00 1.13 -0.00 -1.90 -3.10 116.57 112.85 1hds h LYS 81 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.12 1hds h LYS 81 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.11 1hds h LYS 81 CO -0.66 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.20 1hds n GLY 82 N -1.38 -1.85 0.26 0.07 0.00 -0.54 -3.66 105.19 98.09 1hds n GLY 82 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1hds n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hds n ALA 83 N -3.00 -0.39 -2.01 4.61 0.00 -1.17 0.24 120.51 118.78 1hds n ALA 83 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1hds n ALA 83 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1hds n ALA 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1hds n PHE 84 N -4.50 1.99 -0.13 0.00 0.99 -1.22 -4.58 117.46 110.01 1hds n PHE 84 Ca 0.01 -2.02 0.01 0.00 -0.00 0.00 0.00 57.45 55.45 1hds n PHE 84 Cb 0.16 -0.31 0.29 0.00 -1.00 0.00 0.00 39.48 38.62 1hds n PHE 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1hds h ALA 85 N 1.93 1.48 -0.57 4.37 0.00 0.30 2.34 119.26 129.12 1hds h ALA 85 Ca 0.24 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1hds h ALA 85 Cb 1.41 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1hds h ALA 85 CO 0.54 0.44 0.19 0.00 0.00 0.00 0.00 179.25 180.42 1hds n GLN 86 N -4.40 -0.04 -0.00 0.00 10.64 -1.26 -2.99 117.38 119.33 1hds n GLN 86 Ca 0.06 0.81 0.02 0.00 -1.83 0.00 0.00 57.00 56.06 1hds n GLN 86 Cb 0.09 -1.39 -0.03 0.00 -0.86 0.00 0.00 30.24 28.05 1hds n GLN 86 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1hds n LEU 87 N -4.45 0.04 -3.00 2.61 -0.00 0.49 -4.23 117.00 108.47 1hds n LEU 87 Ca 0.18 -0.10 -0.32 0.00 -0.00 0.00 0.00 56.01 55.77 1hds n LEU 87 Cb 0.62 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.98 1hds n LEU 87 CO -0.01 0.01 2.75 -0.24 -0.00 0.00 0.00 177.39 179.89 1hds n SER 88 N -1.53 7.74 0.03 1.96 2.88 0.67 -1.58 113.62 123.79 1hds n SER 88 Ca -0.00 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 1hds n SER 88 Cb 0.10 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1hds n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hds n GLY 89 N 2.88 -0.01 0.13 0.46 0.00 -1.18 -4.55 105.19 102.93 1hds n GLY 89 Ca 0.67 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.47 1hds n GLY 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hds h LEU 90 N 0.00 0.63 0.00 0.99 6.46 -1.76 0.99 115.31 122.63 1hds h LEU 90 Ca 0.00 -0.77 -0.16 0.00 -0.12 0.00 0.00 57.88 56.83 1hds h LEU 90 Cb 0.00 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 1hds h LEU 90 CO 0.00 1.62 -0.89 0.45 -0.62 0.00 0.00 178.44 179.00 1hds h HIS 91 N 0.11 0.00 0.00 1.25 3.86 -1.56 -1.82 115.15 117.00 1hds h HIS 91 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1hds h HIS 91 Cb 2.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.56 1hds h HIS 91 CO 0.10 1.23 0.00 0.00 0.86 0.00 0.00 177.93 180.12 1hds h ASN 93 N 0.00 0.42 0.00 0.00 -0.26 0.85 -3.15 115.58 113.44 1hds h ASN 93 Ca 0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1hds h ASN 93 Cb 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1hds h ASN 93 CO 0.00 0.29 0.00 1.17 -1.06 0.00 0.00 177.43 177.83 1hds n LYS 94 N -4.85 0.00 0.00 0.81 3.00 -0.68 -4.50 118.16 111.94 1hds n LYS 94 Ca 0.04 0.31 0.13 0.00 -0.00 0.00 0.00 58.31 58.79 1hds n LYS 94 Cb 0.11 -0.81 0.41 0.00 0.00 0.00 0.00 35.03 34.74 1hds n LYS 94 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1hds n LEU 95 N -2.18 0.78 -1.53 3.14 -0.00 -1.23 -4.99 117.00 110.98 1hds n LEU 95 Ca 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1hds n LEU 95 Cb 0.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 43.42 43.25 1hds n LEU 95 CO 0.00 0.15 -0.01 1.41 -0.00 0.00 0.00 177.39 178.94 1hds n HIS 96 N -0.90 -0.10 -3.71 1.47 8.25 -0.86 -5.01 115.22 114.35 1hds n HIS 96 Ca 0.11 0.04 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 1hds n HIS 96 Cb 0.33 -1.56 -0.12 0.00 1.12 0.00 0.00 29.99 29.76 1hds n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hds s VAL 97 N -0.04 4.32 -0.44 1.59 1.01 -1.17 -5.01 120.40 120.66 1hds s VAL 97 Ca -0.00 -0.46 -0.40 0.00 0.00 0.00 0.00 61.98 61.12 1hds s VAL 97 Cb 0.00 -3.17 -0.17 0.00 0.00 0.00 0.00 36.38 33.03 1hds s VAL 97 CO 0.02 0.13 1.69 0.59 0.00 0.00 0.00 175.10 177.53 1hds n ASN 98 N 4.93 0.83 -0.07 3.32 4.13 -1.26 -4.81 115.26 122.34 1hds n ASN 98 Ca -0.15 0.79 0.06 0.00 1.68 0.00 0.00 54.58 56.96 1hds n ASN 98 Cb 0.49 -0.79 0.11 0.00 -1.54 0.00 0.00 39.78 38.05 1hds n ASN 98 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1hds n PRO 99 N 5.34 -0.01 0.31 3.52 -0.01 -1.26 0.07 135.00 142.96 1hds n PRO 99 Ca 0.40 0.28 -0.15 0.00 -0.01 0.00 0.00 63.50 64.02 1hds n PRO 99 Cb -0.04 -0.50 -0.08 0.00 -0.01 0.00 0.00 33.50 32.87 1hds n PRO 99 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 175.50 175.86 1hds h GLN 100 N 0.00 -0.78 -0.54 -0.52 5.75 -1.91 2.66 115.11 119.78 1hds h GLN 100 Ca 0.16 0.05 0.16 0.00 -0.15 0.00 0.00 58.65 58.87 1hds h GLN 100 Cb 0.42 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 1hds h GLN 100 CO -0.16 -0.46 0.55 -0.91 -2.65 0.00 0.00 178.83 175.19 1hds h ASN 101 N -1.07 0.00 0.39 -0.69 4.21 -0.72 -0.89 115.58 116.80 1hds h ASN 101 Ca -0.08 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.41 1hds h ASN 101 Cb 0.67 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1hds h ASN 101 CO 0.14 0.00 -0.19 -0.26 -1.29 0.00 0.00 177.43 175.83 1hds h PHE 102 N 0.00 -0.48 0.00 1.19 -1.00 0.45 -2.13 116.94 114.98 1hds h PHE 102 Ca 0.26 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1hds h PHE 102 Cb 1.34 0.16 0.00 0.00 3.61 0.00 0.00 35.95 41.06 1hds h PHE 102 CO 0.00 -0.18 -0.01 0.54 -1.61 0.00 0.00 178.31 177.05 1hds n ARG 103 N -5.13 0.02 0.05 1.51 3.00 -0.34 -3.13 116.66 112.64 1hds n ARG 103 Ca -0.08 0.02 -0.10 0.00 -0.01 0.00 0.00 57.85 57.67 1hds n ARG 103 Cb 0.26 -1.53 -0.07 0.00 0.00 0.00 0.00 32.46 31.12 1hds n ARG 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1hds h LEU 104 N 0.00 -0.18 0.00 0.55 3.38 -1.44 -2.65 115.31 114.97 1hds h LEU 104 Ca 0.00 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1hds h LEU 104 Cb 0.52 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1hds h LEU 104 CO 0.00 0.39 -1.01 0.25 0.09 0.00 0.00 178.44 178.16 1hds h LEU 105 N -0.89 0.00 -0.11 1.67 6.46 -1.58 -2.05 115.31 118.81 1hds h LEU 105 Ca -0.02 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.58 1hds h LEU 105 Cb 0.52 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1hds h LEU 105 CO 0.03 0.13 -0.56 1.23 -0.62 0.00 0.00 178.44 178.65 1hds h GLY 106 N 3.93 0.64 0.77 3.75 0.00 -1.55 -2.01 103.07 108.61 1hds h GLY 106 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 1hds h GLY 106 CO 0.01 0.80 0.01 -0.57 0.00 0.00 0.00 176.54 176.79 1hds h ASN 107 N 0.20 0.18 -1.20 0.19 -1.24 -1.56 -1.22 115.58 110.92 1hds h ASN 107 Ca -0.04 -0.29 0.35 0.00 0.71 0.00 0.00 56.30 57.04 1hds h ASN 107 Cb 1.20 -0.05 -0.10 0.00 0.73 0.00 0.00 38.32 40.11 1hds h ASN 107 CO 0.12 0.42 0.79 0.58 -1.29 0.00 0.00 177.43 178.05 1hds h VAL 108 N -0.07 0.34 0.00 2.57 2.07 -1.31 -2.65 116.25 117.19 1hds h VAL 108 Ca 0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1hds h VAL 108 Cb 0.32 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1hds h VAL 108 CO 0.00 0.04 0.00 -0.11 0.02 0.00 0.00 177.57 177.52 1hds n LEU 109 N -4.56 1.06 0.00 2.57 -0.00 -0.71 -3.74 117.00 111.63 1hds n LEU 109 Ca 0.30 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 1hds n LEU 109 Cb 1.18 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 44.38 1hds n LEU 109 CO 0.27 -0.23 0.00 0.00 -0.00 0.00 0.00 177.39 177.43 1hds n ALA 110 N -1.18 0.00 -0.09 1.96 0.00 -0.54 -1.17 120.51 119.49 1hds n ALA 110 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1hds n ALA 110 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1hds n ALA 110 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h LEU 111 N 0.00 0.00 -0.23 0.00 7.12 -1.71 4.76 115.31 125.26 1hds h LEU 111 Ca 0.00 -0.45 -0.01 0.00 0.13 0.00 0.00 57.88 57.55 1hds h LEU 111 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1hds h LEU 111 CO 0.00 1.23 -0.05 -0.37 -0.13 0.00 0.00 178.44 179.12 1hds h VAL 112 N -1.00 0.09 0.00 1.05 -1.51 -1.23 -2.91 116.25 110.74 1hds h VAL 112 Ca -0.21 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 1hds h VAL 112 Cb 1.04 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 1hds h VAL 112 CO -0.13 0.05 -0.14 -0.37 -1.23 0.00 0.00 177.57 175.75 1hds h VAL 113 N 0.00 0.00 0.00 7.19 -1.51 -1.26 -3.36 116.25 117.31 1hds h VAL 113 Ca -0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1hds h VAL 113 Cb 0.96 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1hds h VAL 113 CO 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.35 1hds n ALA 114 N -2.76 1.90 -0.11 5.19 0.00 1.56 -2.60 120.51 123.69 1hds n ALA 114 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1hds n ALA 114 Cb 0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1hds n ALA 114 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1hds n ARG 115 N -0.19 0.55 0.00 0.00 0.63 -1.11 -2.82 116.66 113.72 1hds n ARG 115 Ca 0.00 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1hds n ARG 115 Cb 0.05 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1hds n ARG 115 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1hds n ASN 116 N -4.39 0.00 -0.38 6.15 4.13 -1.22 -3.84 115.26 115.70 1hds n ASN 116 Ca -0.31 0.00 0.04 0.00 1.68 0.00 0.00 54.58 55.99 1hds n ASN 116 Cb 0.65 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.96 1hds n ASN 116 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1hds n PHE 117 N -1.52 0.17 -3.45 3.10 3.72 -1.07 -5.10 117.46 113.31 1hds n PHE 117 Ca 0.00 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 1hds n PHE 117 Cb 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1hds n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hds n GLY 118 N 0.32 -0.15 0.19 1.37 0.00 -1.13 -2.84 105.19 102.95 1hds n GLY 118 Ca 0.06 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 1hds n GLY 118 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hds h GLY 119 N 0.00 0.70 -1.26 -0.02 0.00 -1.96 -1.67 103.07 98.88 1hds h GLY 119 Ca 0.00 -1.03 0.46 0.00 0.00 0.00 0.00 47.33 46.76 1hds h GLY 119 CO 0.00 0.91 0.92 1.46 0.00 0.00 0.00 176.54 179.83 1hds h GLN 120 N 0.29 0.05 -2.06 4.80 4.20 -1.96 -3.27 115.11 117.16 1hds h GLN 120 Ca -0.05 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.45 1hds h GLN 120 Cb 1.31 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.01 1hds h GLN 120 CO 0.14 0.03 -0.22 0.34 -0.67 0.00 0.00 178.83 178.45 1hds n PHE 121 N -4.62 0.08 -0.91 2.96 7.35 -0.63 -4.88 117.46 116.81 1hds n PHE 121 Ca 0.39 -1.51 -0.30 0.00 -0.76 0.00 0.00 57.45 55.27 1hds n PHE 121 Cb 1.53 -1.60 0.04 0.00 0.35 0.00 0.00 39.48 39.80 1hds n PHE 121 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1hds n THR 122 N 2.55 0.00 -0.26 -2.13 -2.24 -1.24 -3.60 114.28 107.36 1hds n THR 122 Ca 0.43 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 62.16 1hds n THR 122 Cb 0.87 -0.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.13 1hds n THR 122 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1hds h PRO 123 N -1.35 0.86 0.00 -0.78 0.11 -1.97 0.41 132.00 129.28 1hds h PRO 123 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1hds h PRO 123 Cb 1.09 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1hds h PRO 123 CO 0.18 0.57 0.00 0.09 -0.21 0.00 0.00 178.00 178.63 1hds n ASN 124 N -4.66 0.00 -0.35 -2.05 5.03 -1.26 -0.36 115.26 111.61 1hds n ASN 124 Ca 0.09 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.62 1hds n ASN 124 Cb 0.11 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 39.05 1hds n ASN 124 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1hds h VAL 125 N 0.00 0.02 0.06 2.41 3.04 -1.79 0.22 116.25 120.21 1hds h VAL 125 Ca 0.00 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1hds h VAL 125 Cb 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 1hds h VAL 125 CO 0.00 0.00 -0.03 -0.61 -1.01 0.00 0.00 177.57 175.92 1hds h GLN 126 N 0.00 -0.07 0.00 4.17 5.75 -0.23 0.32 115.11 125.05 1hds h GLN 126 Ca 0.51 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.01 1hds h GLN 126 Cb 0.86 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.43 1hds h GLN 126 CO -0.99 0.46 0.00 0.00 -2.65 0.00 0.00 178.83 175.65 1hds n ALA 127 N -2.44 -0.09 -0.15 3.38 0.00 0.51 -0.69 120.51 121.03 1hds n ALA 127 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1hds n ALA 127 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1hds n ALA 127 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1hds n LEU 128 N -1.87 0.00 -0.38 0.00 -0.00 0.00 -0.52 117.00 114.23 1hds n LEU 128 Ca 0.00 0.26 0.34 0.00 -0.00 0.00 0.00 56.01 56.60 1hds n LEU 128 Cb 0.00 -0.09 0.67 0.00 -0.00 0.00 0.00 43.42 44.00 1hds n LEU 128 CO 0.00 -0.09 1.30 -0.26 -0.00 0.00 0.00 177.39 178.34 1hds h PHE 129 N 0.00 0.27 -0.77 1.47 0.04 -0.14 -0.66 116.94 117.16 1hds h PHE 129 Ca 0.00 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.89 1hds h PHE 129 Cb 0.00 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 1hds h PHE 129 CO -0.17 -0.02 0.50 0.37 -0.60 0.00 0.00 178.31 178.40 1hds h GLN 130 N 0.13 0.62 -0.01 1.51 5.75 0.15 0.58 115.11 123.84 1hds h GLN 130 Ca 0.65 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 59.12 1hds h GLN 130 Cb 2.25 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.66 1hds h GLN 130 CO -0.16 0.41 -0.54 1.17 -2.65 0.00 0.00 178.83 177.06 1hds n LYS 131 N -4.50 0.53 0.13 1.69 4.81 -0.25 -4.25 118.16 116.31 1hds n LYS 131 Ca 0.13 -0.38 -0.01 0.00 -0.87 0.00 0.00 58.31 57.18 1hds n LYS 131 Cb 0.37 -1.49 0.24 0.00 0.02 0.00 0.00 35.03 34.17 1hds n LYS 131 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1hds h VAL 132 N 0.93 1.34 -0.85 3.15 -1.51 0.14 -3.16 116.25 116.29 1hds h VAL 132 Ca 0.00 -1.64 0.22 0.00 -1.23 0.00 0.00 66.70 64.05 1hds h VAL 132 Cb 0.56 1.83 -0.13 0.00 -2.13 0.00 0.00 31.29 31.42 1hds h VAL 132 CO 0.00 0.48 0.21 -0.37 -1.23 0.00 0.00 177.57 176.66 1hds h VAL 133 N 0.09 0.36 0.00 7.19 -1.51 -1.74 1.66 116.25 122.30 1hds h VAL 133 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1hds h VAL 133 Cb 0.86 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1hds h VAL 133 CO 0.07 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 1hds n ALA 134 N -2.71 0.00 -0.23 5.19 0.00 -1.21 -0.71 120.51 120.83 1hds n ALA 134 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1hds n ALA 134 Cb 0.63 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.49 1hds n ALA 134 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hds h GLY 135 N 0.00 1.03 1.57 0.00 0.00 -1.46 -0.21 103.07 104.00 1hds h GLY 135 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 47.33 46.80 1hds h GLY 135 CO 0.00 0.09 -1.20 -2.08 0.00 0.00 0.00 176.54 173.34 1hds h VAL 136 N 0.61 1.45 -2.09 4.60 2.07 0.23 0.51 116.25 123.64 1hds h VAL 136 Ca 0.42 -2.88 -0.55 0.00 0.82 0.00 0.00 66.70 64.51 1hds h VAL 136 Cb 0.74 2.84 -0.40 0.00 -1.52 0.00 0.00 31.29 32.94 1hds h VAL 136 CO -0.17 0.85 -0.96 0.00 0.02 0.00 0.00 177.57 177.30 1hds n ALA 137 N -2.56 3.00 0.05 1.67 0.00 0.11 -2.39 120.51 120.38 1hds n ALA 137 Ca -0.09 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.47 1hds n ALA 137 Cb 0.99 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1hds n ALA 137 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hds n ASN 138 N 0.65 0.94 0.00 0.00 4.13 -1.19 -4.51 115.26 115.28 1hds n ASN 138 Ca 0.26 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.65 1hds n ASN 138 Cb 0.52 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1hds n ASN 138 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hds n ALA 139 N -3.44 0.00 -0.27 5.41 0.00 0.17 -0.49 120.51 121.89 1hds n ALA 139 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1hds n ALA 139 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 1hds n ALA 139 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hds h LEU 140 N 0.00 -1.47 -0.21 0.00 3.38 -1.70 1.83 115.31 117.14 1hds h LEU 140 Ca 0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1hds h LEU 140 Cb 0.00 0.71 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1hds h LEU 140 CO 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.22 1hds n ALA 141 N -3.25 1.82 -3.39 1.53 0.00 0.35 -4.24 120.51 113.33 1hds n ALA 141 Ca 0.05 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 1hds n ALA 141 Cb 0.36 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1hds n ALA 141 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1hds s HIS 142 N -3.10 3.36 0.00 0.00 3.76 0.62 -2.15 115.29 117.78 1hds s HIS 142 Ca 0.08 -1.57 0.00 0.00 -0.15 0.00 0.00 55.06 53.42 1hds s HIS 142 Cb 0.11 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.10 1hds s HIS 142 CO 0.37 -1.01 0.00 1.17 -0.85 0.00 0.00 174.74 174.43 1hds n LYS 143 N 4.98 0.00 0.00 1.40 4.81 -1.26 -4.82 118.16 123.27 1hds n LYS 143 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1hds n LYS 143 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 1hds n LYS 143 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1hds n TYR 144 N 0.00 0.00 0.00 5.64 4.19 -0.91 -5.16 117.16 120.92 1hds n TYR 144 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1hds n TYR 144 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1hds n TYR 144 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38