#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gri n PRO 2 N 0.00 0.12 -2.48 0.00 -0.04 -1.26 -4.76 135.00 126.58 2gri n PRO 2 Ca 0.00 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 2gri n PRO 2 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 2gri n PRO 2 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2gri s ILE 3 N -2.75 3.15 -0.87 0.52 1.01 -1.26 -4.58 121.20 116.42 2gri s ILE 3 Ca 0.11 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2gri s ILE 3 Cb 0.10 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.41 2gri s ILE 3 CO 0.24 -0.23 1.31 2.29 0.00 0.00 0.00 174.94 178.55 2gri n LYS 4 N -2.55 0.03 0.00 2.79 2.85 -0.13 -4.91 118.16 116.24 2gri n LYS 4 Ca 0.06 0.41 0.00 0.00 -1.05 0.00 0.00 58.31 57.73 2gri n LYS 4 Cb 0.59 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gri n GLY 5 N -0.76 2.09 2.48 2.58 0.00 -1.26 -4.91 105.19 105.41 2gri n GLY 5 Ca 0.01 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2gri n GLY 5 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gri n VAL 6 N 0.00 5.26 -3.57 1.61 0.31 -1.26 -4.87 118.33 115.80 2gri n VAL 6 Ca 0.00 -4.35 -0.15 0.00 -0.01 0.00 0.00 64.34 59.84 2gri n VAL 6 Cb 0.00 -2.06 -0.06 0.00 -0.91 0.00 0.00 33.84 30.81 2gri n VAL 6 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2gri s THR 7 N -1.22 0.00 -0.30 2.52 2.01 -1.26 -5.15 115.64 112.24 2gri s THR 7 Ca 0.54 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 2gri s THR 7 Cb 0.19 -1.00 0.18 0.00 0.01 0.00 0.00 72.50 71.88 2gri s THR 7 CO -0.10 0.00 1.15 0.72 -0.69 0.00 0.00 174.62 175.70 2gri s PHE 8 N -0.56 -0.30 -1.19 4.92 -0.71 -1.26 -4.76 117.98 114.12 2gri s PHE 8 Ca -0.05 0.57 -0.07 0.00 -1.04 0.00 0.00 56.93 56.33 2gri s PHE 8 Cb -0.02 0.18 0.06 0.00 -1.21 0.00 0.00 43.02 42.03 2gri s PHE 8 CO 0.04 -0.15 0.38 0.41 -1.34 0.00 0.00 175.22 174.57 2gri n GLY 9 N 3.85 -0.49 0.08 1.99 0.00 -1.26 -4.85 105.19 104.51 2gri n GLY 9 Ca -0.14 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 2gri n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gri h GLU 10 N -0.76 0.00 0.00 1.61 4.39 -2.01 -3.47 114.58 114.34 2gri h GLU 10 Ca -0.39 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2gri h GLU 10 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2gri h GLU 10 CO 0.48 1.00 0.00 -3.47 -1.16 0.00 0.00 179.01 175.86 2gri n ASP 11 N -4.56 0.04 -3.79 1.42 2.03 -1.26 -5.18 116.55 105.25 2gri n ASP 11 Ca -0.15 0.07 0.02 0.00 0.52 0.00 0.00 54.79 55.25 2gri n ASP 11 Cb 0.53 0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.98 2gri n ASP 11 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gri s THR 12 N -1.17 0.00 0.54 5.18 -1.32 -1.26 -5.11 115.64 112.49 2gri s THR 12 Ca 0.00 -0.19 -0.05 0.00 -1.21 0.00 0.00 61.69 60.23 2gri s THR 12 Cb 0.00 -2.90 -0.01 0.00 -1.51 0.00 0.00 72.50 68.08 2gri s THR 12 CO 0.00 0.00 0.85 -0.69 -2.21 0.00 0.00 174.62 172.57 2gri s VAL 13 N -2.05 4.24 -1.64 5.08 1.01 -1.26 -3.33 120.40 122.44 2gri s VAL 13 Ca 0.28 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2gri s VAL 13 Cb -0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2gri s VAL 13 CO -0.01 -0.65 0.00 0.79 0.00 0.00 0.00 175.10 175.24 2gri n TRP 14 N -2.43 0.00 0.00 5.22 7.02 -1.26 -4.65 117.44 121.34 2gri n TRP 14 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2gri n TRP 14 Cb 0.56 -2.97 0.00 0.00 -2.42 0.00 0.00 31.31 26.49 2gri n TRP 14 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2gri n GLU 15 N -1.85 0.00 0.00 -0.99 1.02 -1.26 -4.95 120.64 112.61 2gri n GLU 15 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2gri n GLU 15 Cb 0.60 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 2gri n GLU 15 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2gri n VAL 16 N -1.64 0.00 -0.21 2.62 3.14 -1.21 -4.78 118.33 116.25 2gri n VAL 16 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 2gri n VAL 16 Cb 0.07 -0.65 0.12 0.00 -1.06 0.00 0.00 33.84 32.32 2gri n VAL 16 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2gri h GLN 17 N 0.00 0.18 -0.40 1.45 4.15 -1.91 -3.39 115.11 115.20 2gri h GLN 17 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2gri h GLN 17 Cb 0.72 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2gri h GLN 17 CO 0.00 0.12 0.00 0.41 -1.93 0.00 0.00 178.83 177.43 2gri n GLY 18 N -1.35 0.94 3.45 2.39 0.00 -1.26 -0.95 105.19 108.41 2gri n GLY 18 Ca 0.10 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 2gri n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gri s TYR 19 N -2.40 0.03 0.20 1.61 2.02 -1.26 -2.56 117.35 114.99 2gri s TYR 19 Ca 0.00 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2gri s TYR 19 Cb 0.00 0.25 -0.02 0.00 -0.40 0.00 0.00 41.96 41.80 2gri s TYR 19 CO 0.00 -0.84 0.15 1.63 -1.57 0.00 0.00 175.55 174.92 2gri n LYS 20 N -0.29 0.32 -3.87 -0.62 4.01 0.77 -4.38 118.16 114.09 2gri n LYS 20 Ca -0.10 -1.96 -0.30 0.00 -0.51 0.00 0.00 58.31 55.45 2gri n LYS 20 Cb 0.63 1.52 -0.16 0.00 -0.51 0.00 0.00 35.03 36.51 2gri n LYS 20 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2gri s ASN 21 N -2.38 3.77 -0.15 4.39 0.01 -1.26 -2.96 114.94 116.37 2gri s ASN 21 Ca 0.21 -1.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.07 2gri s ASN 21 Cb 0.01 -1.05 -0.03 0.00 0.41 0.00 0.00 41.25 40.60 2gri s ASN 21 CO 0.15 -0.29 -0.05 0.54 -1.51 0.00 0.00 177.10 175.94 2gri s VAL 22 N 1.48 3.75 0.14 1.60 0.11 0.24 -4.71 120.40 123.02 2gri s VAL 22 Ca -0.01 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.69 2gri s VAL 22 Cb -0.18 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.00 2gri s VAL 22 CO -0.10 0.50 0.02 -0.13 -3.33 0.00 0.00 175.10 172.07 2gri s ARG 23 N 0.32 2.54 -0.04 1.54 1.81 -0.66 -0.06 118.95 124.40 2gri s ARG 23 Ca -0.05 -0.97 0.04 0.00 -1.72 0.00 0.00 55.73 53.03 2gri s ARG 23 Cb -0.14 -2.47 -0.00 0.00 -0.45 0.00 0.00 34.95 31.88 2gri s ARG 23 CO 0.03 0.49 -0.15 0.42 -0.68 0.00 0.00 175.30 175.41 2gri s ILE 24 N -1.58 1.27 -0.50 1.52 -1.09 -0.07 -2.58 121.20 118.17 2gri s ILE 24 Ca 0.27 -0.62 0.06 0.00 -2.23 0.00 0.00 60.65 58.13 2gri s ILE 24 Cb -0.10 -1.10 0.19 0.00 -1.58 0.00 0.00 42.46 39.87 2gri s ILE 24 CO 0.19 0.37 0.77 0.41 -1.23 0.00 0.00 174.94 175.45 2gri n THR 25 N 3.22 0.00 0.00 2.92 -1.04 -1.26 -4.73 114.28 113.39 2gri n THR 25 Ca -0.18 -0.95 0.00 0.00 -2.04 0.00 0.00 64.05 60.88 2gri n THR 25 Cb 0.53 0.98 0.00 0.00 -1.82 0.00 0.00 70.33 70.03 2gri n THR 25 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2gri n PHE 26 N 2.85 0.00 0.00 -1.42 7.35 -1.26 -4.84 117.46 120.15 2gri n PHE 26 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2gri n PHE 26 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 2gri n PHE 26 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2gri n GLU 27 N -1.06 0.00 0.11 -4.13 1.02 -1.26 -5.01 120.64 110.31 2gri n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gri n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2gri n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gri n LEU 28 N 0.00 -1.49 0.00 -4.62 4.32 -1.26 -4.76 117.00 109.19 2gri n LEU 28 Ca 0.00 0.41 -0.30 0.00 -0.02 0.00 0.00 56.01 56.10 2gri n LEU 28 Cb 0.00 1.57 -0.07 0.00 -1.62 0.00 0.00 43.42 43.30 2gri n LEU 28 CO 0.00 -0.29 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.00 2gri n ASP 29 N -3.02 2.60 -0.06 -1.43 -0.08 -1.26 -5.06 116.55 108.24 2gri n ASP 29 Ca 0.00 -3.24 -0.09 0.00 -1.51 0.00 0.00 54.79 49.94 2gri n ASP 29 Cb 0.00 0.62 -0.05 0.00 2.34 0.00 0.00 41.12 44.04 2gri n ASP 29 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2gri n GLU 30 N -1.15 0.26 -0.01 -0.67 -0.58 -1.26 -4.28 120.64 112.94 2gri n GLU 30 Ca -0.16 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.56 2gri n GLU 30 Cb 0.64 -1.09 -0.14 0.00 -0.57 0.00 0.00 31.44 30.29 2gri n GLU 30 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2gri h ARG 31 N -0.17 0.04 -1.50 3.49 9.65 -2.02 -3.38 114.38 120.48 2gri h ARG 31 Ca -0.26 -0.07 -0.60 0.00 -1.10 0.00 0.00 59.98 57.95 2gri h ARG 31 Cb 1.32 0.02 -0.41 0.00 -1.39 0.00 0.00 29.97 29.52 2gri h ARG 31 CO -0.10 0.61 -0.56 1.33 2.80 0.00 0.00 179.97 184.06 2gri n VAL 32 N -3.11 2.51 0.02 0.20 0.24 -1.26 -4.76 118.33 112.16 2gri n VAL 32 Ca -0.18 -4.81 -0.21 0.00 -2.04 0.00 0.00 64.34 57.09 2gri n VAL 32 Cb 1.05 -1.26 -0.14 0.00 -1.47 0.00 0.00 33.84 32.02 2gri n VAL 32 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2gri h ASP 33 N 2.59 0.41 0.86 -1.34 2.03 -1.75 -3.33 116.42 115.89 2gri h ASP 33 Ca 0.33 -0.88 -0.02 0.00 -0.73 0.00 0.00 57.03 55.73 2gri h ASP 33 Cb 0.88 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.24 2gri h ASP 33 CO 0.90 1.55 -0.10 0.07 -1.03 0.00 0.00 179.24 180.63 2gri h LYS 34 N -0.33 0.00 0.00 4.15 -0.00 -1.91 -2.66 116.57 115.82 2gri h LYS 34 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 2gri h LYS 34 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.95 2gri h LYS 34 CO 0.09 0.10 0.00 0.28 -0.00 0.00 0.00 179.45 179.92 2gri h VAL 35 N 0.00 0.00 0.00 0.07 2.07 -1.91 0.65 116.25 117.13 2gri h VAL 35 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2gri h VAL 35 Cb 0.56 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2gri h VAL 35 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2gri n LEU 36 N -2.76 1.33 0.00 2.57 -0.00 -1.01 -4.09 117.00 113.03 2gri n LEU 36 Ca -0.02 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.66 2gri n LEU 36 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2gri n LEU 36 CO 0.16 0.33 0.08 0.59 -0.00 0.00 0.00 177.39 178.56 2gri n ASN 37 N -0.18 0.33 0.00 1.45 3.02 -0.35 -3.27 115.26 116.26 2gri n ASN 37 Ca 0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2gri n ASN 37 Cb 0.10 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2gri n GLU 38 N -0.56 0.96 -0.31 3.52 2.13 0.21 -4.53 120.64 122.07 2gri n GLU 38 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 2gri n GLU 38 Cb 0.01 -0.98 0.18 0.00 0.27 0.00 0.00 31.44 30.92 2gri n GLU 38 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2gri n LYS 39 N -2.32 1.58 -2.55 5.31 2.85 -1.23 -4.72 118.16 117.07 2gri n LYS 39 Ca 0.00 -2.85 -0.03 0.00 -1.05 0.00 0.00 58.31 54.38 2gri n LYS 39 Cb 0.48 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.24 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gri n SER 41 N -0.47 2.51 -4.78 0.00 3.41 -1.20 -4.32 113.62 108.77 2gri n SER 41 Ca -0.27 -0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 57.92 2gri n SER 41 Cb 0.62 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 2gri n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2gri s VAL 42 N -2.27 4.71 0.08 -3.33 1.01 -1.26 -0.89 120.40 118.45 2gri s VAL 42 Ca -0.11 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 2gri s VAL 42 Cb 0.04 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2gri s VAL 42 CO 0.41 0.47 0.06 -0.31 0.00 0.00 0.00 175.10 175.72 2gri s TYR 43 N -0.62 0.51 0.19 5.22 1.51 0.92 -4.99 117.35 120.08 2gri s TYR 43 Ca 0.33 -0.98 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 2gri s TYR 43 Cb -0.20 -0.31 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2gri s TYR 43 CO 0.21 -0.47 0.06 0.99 -1.11 0.00 0.00 175.55 175.22 2gri s THR 44 N -3.94 3.97 -0.17 -0.71 2.01 -1.26 -0.59 115.64 114.95 2gri s THR 44 Ca 0.11 -1.38 -0.08 0.00 0.31 0.00 0.00 61.69 60.65 2gri s THR 44 Cb 0.07 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.61 2gri s THR 44 CO -0.07 -0.16 0.40 0.54 -0.69 0.00 0.00 174.62 174.64 2gri s VAL 45 N -1.84 -0.19 0.00 3.82 0.11 -1.15 -4.89 120.40 116.26 2gri s VAL 45 Ca 0.29 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2gri s VAL 45 Cb -0.09 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2gri s VAL 45 CO 0.21 0.05 0.00 1.21 -3.33 0.00 0.00 175.10 173.24 2gri n GLU 46 N 4.58 -1.70 0.03 1.54 0.00 -1.26 -0.17 120.64 123.66 2gri n GLU 46 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 57.16 56.99 2gri n GLU 46 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.90 2gri n GLU 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gri n SER 47 N -2.95 0.78 -3.99 4.31 2.88 -1.06 -4.58 113.62 109.02 2gri n SER 47 Ca 0.00 0.34 -0.31 0.00 -1.33 0.00 0.00 58.87 57.56 2gri n SER 47 Cb 0.00 0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 2gri n SER 47 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2gri s GLY 48 N -4.75 2.81 0.15 0.46 0.00 -1.26 -5.06 107.32 99.68 2gri s GLY 48 Ca -0.03 -3.65 -0.01 0.00 0.00 0.00 0.00 44.72 41.03 2gri s GLY 48 CO 0.81 1.09 0.08 -1.59 0.00 0.00 0.00 173.10 173.49 2gri s THR 49 N -1.01 0.07 0.21 0.90 2.01 -1.26 -5.17 115.64 111.39 2gri s THR 49 Ca 0.23 -1.94 0.09 0.00 0.31 0.00 0.00 61.69 60.38 2gri s THR 49 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2gri s THR 49 CO -0.10 -0.34 -0.05 -1.61 -0.69 0.00 0.00 174.62 171.83 2gri s GLU 50 N -4.08 2.19 0.46 4.92 0.41 -1.26 -5.00 118.70 116.34 2gri s GLU 50 Ca 0.28 -1.29 0.31 0.00 -0.41 0.00 0.00 54.97 53.86 2gri s GLU 50 Cb 0.07 -2.19 1.62 0.00 -1.78 0.00 0.00 34.13 31.86 2gri s GLU 50 CO 0.05 0.41 1.95 0.28 -0.49 0.00 0.00 175.26 177.46 2gri h VAL 51 N 2.42 0.00 0.00 2.63 2.07 -1.95 -0.82 116.25 120.60 2gri h VAL 51 Ca -0.46 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.85 2gri h VAL 51 Cb 1.22 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2gri h VAL 51 CO 0.57 0.00 -1.37 1.07 0.02 0.00 0.00 177.57 177.86 2gri n THR 52 N -2.63 1.08 0.13 2.57 5.66 -1.26 -3.99 114.28 115.85 2gri n THR 52 Ca -0.01 -0.67 0.02 0.00 -3.05 0.00 0.00 64.05 60.34 2gri n THR 52 Cb 0.09 -0.66 0.36 0.00 -1.55 0.00 0.00 70.33 68.57 2gri n THR 52 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2gri h GLU 53 N 0.00 0.17 0.00 1.09 4.57 -1.54 -2.02 114.58 116.86 2gri h GLU 53 Ca -0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2gri h GLU 53 Cb 1.49 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 2gri h GLU 53 CO 0.04 0.41 0.00 0.74 -1.18 0.00 0.00 179.01 179.02 2gri h PHE 54 N 0.16 0.00 0.00 0.92 0.04 -1.68 -2.86 116.94 113.51 2gri h PHE 54 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2gri h PHE 54 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2gri h PHE 54 CO 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 2gri n ALA 55 N -2.03 2.37 0.14 2.45 0.00 -0.76 -2.02 120.51 120.66 2gri n ALA 55 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.34 2gri n ALA 55 Cb 0.41 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 2gri n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gri n VAL 57 N -0.78 0.36 0.08 0.00 3.14 -1.12 -4.07 118.33 115.94 2gri n VAL 57 Ca 0.01 -0.48 0.08 0.00 -2.96 0.00 0.00 64.34 60.99 2gri n VAL 57 Cb 0.05 -0.12 -0.02 0.00 -1.06 0.00 0.00 33.84 32.69 2gri n VAL 57 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2gri h VAL 58 N 0.00 0.15 0.00 1.55 2.07 -1.66 -3.15 116.25 115.20 2gri h VAL 58 Ca -0.14 -1.29 -0.21 0.00 0.82 0.00 0.00 66.70 65.88 2gri h VAL 58 Cb 1.17 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2gri h VAL 58 CO 0.01 0.08 -1.13 0.00 0.02 0.00 0.00 177.57 176.55 2gri h ALA 59 N 1.83 0.53 -0.00 1.67 0.00 -1.77 -3.28 119.26 118.24 2gri h ALA 59 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2gri h ALA 59 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2gri h ALA 59 CO 0.01 1.20 -0.50 -0.85 0.00 0.00 0.00 179.25 179.12 2gri n GLU 60 N -3.21 0.06 -0.05 0.00 -0.00 -1.26 -3.67 120.64 112.51 2gri n GLU 60 Ca -0.05 -0.03 0.12 0.00 -0.00 0.00 0.00 57.16 57.20 2gri n GLU 60 Cb 0.92 -1.50 0.27 0.00 -0.00 0.00 0.00 31.44 31.14 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gri n ALA 61 N -1.44 2.49 0.01 -1.84 0.00 -1.19 -4.04 120.51 114.50 2gri n ALA 61 Ca 0.06 -0.66 0.05 0.00 0.00 0.00 0.00 53.44 52.89 2gri n ALA 61 Cb 0.34 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 2gri n ALA 61 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gri n VAL 62 N 0.93 0.00 1.47 0.00 0.24 -1.24 -4.43 118.33 115.30 2gri n VAL 62 Ca 0.17 -0.25 0.10 0.00 -2.04 0.00 0.00 64.34 62.32 2gri n VAL 62 Cb 0.50 0.27 0.60 0.00 -1.47 0.00 0.00 33.84 33.74 2gri n VAL 62 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2gri n VAL 63 N -1.86 0.00 0.06 3.34 0.31 -1.25 0.16 118.33 119.09 2gri n VAL 63 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 2gri n VAL 63 Cb 0.28 -0.56 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 2gri n VAL 63 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2gri n LYS 64 N -0.93 0.75 -0.02 5.55 2.85 -1.26 -4.38 118.16 120.71 2gri n LYS 64 Ca 0.15 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2gri n LYS 64 Cb 0.07 -1.21 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 2gri n LYS 64 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2gri n THR 65 N -1.78 0.25 -1.45 0.58 -1.04 -1.03 -4.60 114.28 105.22 2gri n THR 65 Ca -0.01 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.05 61.54 2gri n THR 65 Cb 0.25 -0.23 0.13 0.00 -1.82 0.00 0.00 70.33 68.66 2gri n THR 65 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2gri n LEU 66 N -2.02 5.92 -1.85 -4.42 7.99 0.12 -4.51 117.00 118.25 2gri n LEU 66 Ca -0.07 -4.03 -0.11 0.00 -0.01 0.00 0.00 56.01 51.79 2gri n LEU 66 Cb 0.47 -0.74 0.07 0.00 -0.11 0.00 0.00 43.42 43.10 2gri n LEU 66 CO 0.16 1.40 0.17 0.00 -1.51 0.00 0.00 177.39 177.61 2gri n GLN 67 N -1.01 2.53 -0.03 3.23 -0.00 -1.26 -4.83 117.38 116.00 2gri n GLN 67 Ca 0.50 -3.68 -0.13 0.00 -0.00 0.00 0.00 57.00 53.69 2gri n GLN 67 Cb 1.09 -1.82 -0.09 0.00 -0.00 0.00 0.00 30.24 29.42 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2gri h PRO 68 N 1.92 0.13 -1.22 2.61 0.13 -1.92 -3.41 132.00 130.25 2gri h PRO 68 Ca 0.14 -0.07 -0.42 0.00 -0.87 0.00 0.00 66.00 64.79 2gri h PRO 68 Cb 1.40 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.25 2gri h PRO 68 CO 0.43 0.58 -0.85 1.33 -0.23 0.00 0.00 178.00 179.27 2gri n VAL 69 N -4.74 -0.43 0.05 1.56 0.24 -1.26 -4.97 118.33 108.77 2gri n VAL 69 Ca -0.08 -2.92 0.18 0.00 -2.04 0.00 0.00 64.34 59.49 2gri n VAL 69 Cb 0.29 -0.52 0.69 0.00 -1.47 0.00 0.00 33.84 32.83 2gri n VAL 69 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2gri h SER 70 N 4.11 0.00 0.21 -1.34 4.64 -1.89 0.26 113.55 119.54 2gri h SER 70 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2gri h SER 70 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2gri h SER 70 CO 0.39 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.79 2gri h ASP 71 N 0.00 0.00 0.00 4.97 3.32 -1.95 -1.08 116.42 121.68 2gri h ASP 71 Ca 0.21 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.91 2gri h ASP 71 Cb 0.85 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 2gri h ASP 71 CO -0.00 0.00 -2.33 0.18 -1.72 0.00 0.00 179.24 175.36 2gri n LEU 72 N -2.62 1.82 -0.22 1.55 4.77 0.87 -4.43 117.00 118.75 2gri n LEU 72 Ca -0.01 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2gri n LEU 72 Cb 0.10 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2gri n LEU 72 CO 0.16 0.73 0.84 -0.07 -1.33 0.00 0.00 177.39 177.73 2gri h LEU 73 N 0.00 1.05 -1.61 2.23 3.38 -0.99 -2.69 115.31 116.67 2gri h LEU 73 Ca -0.52 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 57.31 2gri h LEU 73 Cb 1.96 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.37 2gri h LEU 73 CO -0.04 1.09 0.51 0.74 0.09 0.00 0.00 178.44 180.83 2gri h THR 74 N 0.98 0.77 0.00 0.22 2.02 0.41 0.38 112.91 117.69 2gri h THR 74 Ca 0.18 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 2gri h THR 74 Cb 0.53 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2gri h THR 74 CO 0.03 0.07 -0.29 -0.55 0.37 0.00 0.00 175.52 175.14 2gri h ASN 75 N 0.37 0.00 -0.42 4.18 7.08 -1.70 -3.17 115.58 121.93 2gri h ASN 75 Ca 0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.59 2gri h ASN 75 Cb 0.92 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.16 2gri h ASN 75 CO -0.11 0.25 0.00 0.23 -2.08 0.00 0.00 177.43 175.71 2gri n MET 76 N -3.14 3.39 -2.36 4.14 2.81 0.91 -4.88 117.12 117.99 2gri n MET 76 Ca 0.03 -2.11 -0.06 0.00 -1.81 0.00 0.00 57.70 53.74 2gri n MET 76 Cb 0.63 -1.90 0.01 0.00 -0.71 0.00 0.00 33.22 31.25 2gri n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gri n GLY 77 N 0.62 0.29 2.67 3.03 0.00 -0.91 -5.03 105.19 105.85 2gri n GLY 77 Ca 0.19 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 2gri n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gri s ILE 78 N -2.58 0.17 -0.20 -0.61 1.01 0.94 -4.99 121.20 114.94 2gri s ILE 78 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 2gri s ILE 78 Cb -0.03 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 2gri s ILE 78 CO 0.07 -0.17 0.16 -0.62 0.00 0.00 0.00 174.94 174.39 2gri s ASP 79 N 2.03 6.24 0.16 3.58 -1.08 -1.26 -0.66 116.67 125.68 2gri s ASP 79 Ca 0.01 0.27 0.13 0.00 -0.52 0.00 0.00 52.55 52.45 2gri s ASP 79 Cb -0.16 -2.11 -0.08 0.00 -1.46 0.00 0.00 42.92 39.12 2gri s ASP 79 CO -0.08 0.16 1.21 0.25 0.52 0.00 0.00 175.17 177.23 2gri h LEU 80 N 6.72 0.00 -0.17 -1.34 7.12 -1.92 -2.83 115.31 122.89 2gri h LEU 80 Ca -0.41 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.54 2gri h LEU 80 Cb 1.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2gri h LEU 80 CO 0.75 0.70 -0.31 0.44 -0.13 0.00 0.00 178.44 179.90 2gri h ASP 81 N 0.00 0.00 0.59 1.25 3.32 -1.99 -3.25 116.42 116.34 2gri h ASP 81 Ca -0.06 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.71 2gri h ASP 81 Cb 1.59 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.09 2gri h ASP 81 CO 0.08 0.31 -1.57 1.05 -1.72 0.00 0.00 179.24 177.38 2gri h GLU 82 N 0.00 0.01 -0.07 3.56 4.11 -1.93 -3.32 114.58 116.94 2gri h GLU 82 Ca -0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.44 2gri h GLU 82 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2gri h GLU 82 CO 0.04 0.60 0.07 -1.49 0.07 0.00 0.00 179.01 178.31 2gri h TRP 83 N 0.00 0.00 0.00 2.06 4.06 -1.53 0.35 115.95 120.89 2gri h TRP 83 Ca -0.23 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.60 2gri h TRP 83 Cb 1.97 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.11 2gri h TRP 83 CO 0.00 0.00 -1.08 0.66 -3.56 0.00 0.00 178.44 174.46 2gri h SER 84 N 0.00 0.00 -0.77 -3.49 4.64 -1.67 -3.35 113.55 108.92 2gri h SER 84 Ca 0.03 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.80 2gri h SER 84 Cb 0.18 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.88 2gri h SER 84 CO -0.00 0.45 -0.48 1.33 -0.87 0.00 0.00 176.83 177.25 2gri n VAL 85 N -2.94 2.72 -4.48 0.95 0.24 -0.06 -4.95 118.33 109.82 2gri n VAL 85 Ca -0.05 -3.92 -0.31 0.00 -2.04 0.00 0.00 64.34 58.02 2gri n VAL 85 Cb 0.76 -1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gri s ALA 86 N -3.62 4.33 -0.57 2.33 0.00 -0.20 -4.96 121.76 119.07 2gri s ALA 86 Ca 0.53 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 2gri s ALA 86 Cb 0.43 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 23.45 2gri s ALA 86 CO 0.03 -0.17 0.46 0.99 0.00 0.00 0.00 175.76 177.07 2gri s THR 87 N -2.87 4.55 -0.45 0.00 2.01 -1.26 -5.04 115.64 112.58 2gri s THR 87 Ca 0.12 -2.04 -0.21 0.00 0.31 0.00 0.00 61.69 59.87 2gri s THR 87 Cb -0.01 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.59 2gri s THR 87 CO 0.08 -0.85 0.68 -0.36 -0.69 0.00 0.00 174.62 173.48 2gri s PHE 88 N 0.97 3.04 0.42 4.92 0.40 -1.26 -4.70 117.98 121.77 2gri s PHE 88 Ca 0.09 -0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.39 2gri s PHE 88 Cb -0.23 -3.45 -0.02 0.00 0.51 0.00 0.00 43.02 39.83 2gri s PHE 88 CO -0.02 -0.92 0.66 0.71 0.70 0.00 0.00 175.22 176.35 2gri s TYR 89 N 2.95 3.42 -0.01 0.36 2.02 -0.25 -4.67 117.35 121.18 2gri s TYR 89 Ca 0.24 0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 57.38 2gri s TYR 89 Cb -0.14 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 2gri s TYR 89 CO 0.20 -0.17 0.02 -0.51 -1.57 0.00 0.00 175.55 173.52 2gri s LEU 90 N -4.53 1.63 0.47 -1.29 1.02 -1.26 -1.37 118.68 113.36 2gri s LEU 90 Ca 0.45 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.66 2gri s LEU 90 Cb -0.10 0.01 -0.02 0.00 0.02 0.00 0.00 46.19 46.09 2gri s LEU 90 CO 0.39 -0.05 0.04 -0.36 0.02 0.00 0.00 176.35 176.39 2gri s PHE 91 N 0.40 1.89 0.00 0.29 0.08 0.91 -4.38 117.98 117.16 2gri s PHE 91 Ca -0.03 -1.04 0.00 0.00 0.12 0.00 0.00 56.93 55.98 2gri s PHE 91 Cb -0.05 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 2gri s PHE 91 CO -0.01 0.08 0.00 -3.47 -0.10 0.00 0.00 175.22 171.72 2gri n ASP 92 N -1.24 1.27 -0.06 1.36 2.03 0.85 -1.25 116.55 119.51 2gri n ASP 92 Ca -0.14 -0.73 0.16 0.00 0.52 0.00 0.00 54.79 54.60 2gri n ASP 92 Cb 0.66 0.00 0.88 0.00 -0.72 0.00 0.00 41.12 41.95 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2gri n ASP 93 N -1.26 0.19 0.00 1.67 5.75 -1.26 -3.06 116.55 118.58 2gri n ASP 93 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 2gri n ASP 93 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gri n ALA 94 N -0.84 2.20 -1.57 2.12 0.00 -1.26 -5.00 120.51 116.16 2gri n ALA 94 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2gri n ALA 94 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2gri n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gri n GLY 95 N -0.05 0.86 3.35 0.00 0.00 -1.17 -5.08 105.19 103.10 2gri n GLY 95 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 2gri n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gri s GLU 96 N -3.33 1.43 -1.37 1.61 -1.05 -1.26 -4.81 118.70 109.92 2gri s GLU 96 Ca 0.00 -1.24 -0.16 0.00 -0.15 0.00 0.00 54.97 53.42 2gri s GLU 96 Cb 0.00 -1.80 0.07 0.00 -0.44 0.00 0.00 34.13 31.96 2gri s GLU 96 CO 0.00 0.43 1.96 -1.91 0.95 0.00 0.00 175.26 176.69 2gri n GLU 97 N 1.18 3.07 -3.97 -4.83 2.13 -1.26 -0.11 120.64 116.85 2gri n GLU 97 Ca -0.18 -3.01 -0.23 0.00 0.66 0.00 0.00 57.16 54.40 2gri n GLU 97 Cb 0.53 -3.35 -0.05 0.00 0.27 0.00 0.00 31.44 28.84 2gri n GLU 97 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2gri n ASN 98 N 6.98 2.61 -2.98 4.31 3.02 -1.26 -4.92 115.26 123.02 2gri n ASN 98 Ca 0.49 -2.67 -0.28 0.00 -0.03 0.00 0.00 54.58 52.10 2gri n ASN 98 Cb 0.42 0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.95 2gri n ASN 98 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2gri n PHE 99 N -0.89 4.00 -1.91 3.10 -1.74 -1.26 -4.71 117.46 114.05 2gri n PHE 99 Ca -0.13 -3.92 -0.30 0.00 -0.56 0.00 0.00 57.45 52.54 2gri n PHE 99 Cb 0.48 -0.53 0.15 0.00 1.52 0.00 0.00 39.48 41.11 2gri n PHE 99 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2gri s SER 100 N -3.37 3.57 0.32 5.98 1.04 -1.26 -4.94 113.70 115.05 2gri s SER 100 Ca 0.48 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.45 2gri s SER 100 Cb 0.28 -0.66 0.78 0.00 0.10 0.00 0.00 66.02 66.52 2gri s SER 100 CO -0.14 -2.47 1.80 -1.28 0.98 0.00 0.00 173.24 172.13 2gri h SER 101 N -1.45 0.73 -3.29 7.02 0.87 -1.95 -3.37 113.55 112.10 2gri h SER 101 Ca -0.45 0.08 -0.59 0.00 -1.23 0.00 0.00 61.79 59.61 2gri h SER 101 Cb 1.27 -0.05 -0.37 0.00 -0.44 0.00 0.00 62.40 62.81 2gri h SER 101 CO 0.48 0.28 -0.81 -0.60 -0.53 0.00 0.00 176.83 175.65 2gri s ARG 102 N -5.79 1.88 -0.06 2.24 6.06 -1.26 -1.65 118.95 120.37 2gri s ARG 102 Ca -0.11 -0.61 0.02 0.00 -2.50 0.00 0.00 55.73 52.53 2gri s ARG 102 Cb 0.24 -2.13 0.02 0.00 0.06 0.00 0.00 34.95 33.14 2gri s ARG 102 CO 0.80 -0.36 -0.10 0.00 -2.50 0.00 0.00 175.30 173.14 2gri s MET 103 N 1.52 1.47 -0.02 5.12 0.23 -1.06 -4.12 119.30 122.44 2gri s MET 103 Ca 0.02 -0.33 -0.30 0.00 -1.03 0.00 0.00 55.69 54.05 2gri s MET 103 Cb -0.15 -1.28 -0.03 0.00 -1.53 0.00 0.00 34.83 31.85 2gri s MET 103 CO -0.09 -0.02 1.00 0.71 -2.03 0.00 0.00 175.02 174.59 2gri s TYR 104 N 0.79 3.61 -0.48 3.16 2.02 -0.38 -4.10 117.35 121.98 2gri s TYR 104 Ca -0.12 1.66 -0.16 0.00 -0.37 0.00 0.00 57.07 58.07 2gri s TYR 104 Cb -0.15 -3.15 0.08 0.00 -0.40 0.00 0.00 41.96 38.34 2gri s TYR 104 CO 0.02 -0.12 0.42 0.00 -1.57 0.00 0.00 175.55 174.30 2gri s SER 106 N 2.71 5.05 -0.19 0.00 0.01 -0.47 -3.99 113.70 116.81 2gri s SER 106 Ca 0.05 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.55 2gri s SER 106 Cb -0.25 -0.74 -0.21 0.00 0.21 0.00 0.00 66.02 65.04 2gri s SER 106 CO 0.07 -0.48 0.10 0.33 0.41 0.00 0.00 173.24 173.66 2gri n PHE 107 N -1.40 0.74 -1.66 2.43 -0.00 -1.26 -1.08 117.46 115.22 2gri n PHE 107 Ca 0.00 0.19 -0.34 0.00 -0.00 0.00 0.00 57.45 57.31 2gri n PHE 107 Cb 0.61 -1.09 0.06 0.00 -0.00 0.00 0.00 39.48 39.06 2gri n PHE 107 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 2gri s TYR 108 N -2.51 2.40 0.96 -5.13 1.13 -1.26 -4.51 117.35 108.43 2gri s TYR 108 Ca -0.29 1.57 -0.12 0.00 -1.41 0.00 0.00 57.07 56.82 2gri s TYR 108 Cb 0.08 -3.29 0.17 0.00 -1.10 0.00 0.00 41.96 37.82 2gri s TYR 108 CO 0.66 -2.03 1.09 -1.25 -2.51 0.00 0.00 175.55 171.51 2gri s PRO 109 N -3.98 0.71 -0.02 -3.49 0.04 -1.26 -4.69 135.00 122.32 2gri s PRO 109 Ca 0.70 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 2gri s PRO 109 Cb -0.24 -1.76 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 2gri s PRO 109 CO 0.42 -2.57 1.28 -1.00 0.04 0.00 0.00 177.00 175.17 2gri h PRO 110 N -1.78 0.03 0.00 0.56 0.13 -1.99 -3.47 132.00 125.48 2gri h PRO 110 Ca -0.53 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2gri h PRO 110 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2gri h PRO 110 CO 0.56 0.51 0.00 -0.25 -0.23 0.00 0.00 178.00 178.59 2gri n ASP 111 N -4.83 0.00 0.00 1.44 8.00 -1.26 -5.21 116.55 114.69 2gri n ASP 111 Ca -0.08 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.50 2gri n ASP 111 Cb 0.26 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.85 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02