#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 1.47 -3.10 0.00 -0.04 -1.26 -4.93 135.00 127.15 2gri n PRO 2 Ca 0.00 -2.03 -0.36 0.00 -0.04 0.00 0.00 63.50 61.07 2gri n PRO 2 Cb 0.00 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.21 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 7.22 4.57 0.19 0.52 1.01 -1.26 -4.68 121.20 128.76 2gri s ILE 3 Ca 0.62 1.28 -0.20 0.00 0.00 0.00 0.00 60.65 62.35 2gri s ILE 3 Cb 0.09 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 2gri s ILE 3 CO 0.14 0.20 0.69 -1.59 0.00 0.00 0.00 174.94 174.37 2gri s LYS 4 N -2.00 4.26 1.98 2.79 -2.85 -1.21 -4.70 119.74 118.00 2gri s LYS 4 Ca 0.43 0.85 0.00 0.00 -1.00 0.00 0.00 55.97 56.25 2gri s LYS 4 Cb -0.17 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.62 2gri s LYS 4 CO 0.21 0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.53 2gri n GLY 5 N 0.99 0.79 0.65 0.59 0.00 -1.26 -2.65 105.19 104.29 2gri n GLY 5 Ca -0.04 0.49 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 2gri n GLY 5 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2gri n VAL 6 N 0.00 0.00 -1.40 1.61 3.14 -1.26 -5.15 118.33 115.27 2gri n VAL 6 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2gri n VAL 6 Cb 0.00 0.21 0.13 0.00 -1.06 0.00 0.00 33.84 33.12 2gri n VAL 6 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2gri s THR 7 N 0.00 2.48 -0.29 1.55 2.01 -1.08 -5.08 115.64 115.22 2gri s THR 7 Ca 0.00 0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 2gri s THR 7 Cb 0.00 -2.80 0.17 0.00 0.01 0.00 0.00 72.50 69.89 2gri s THR 7 CO 0.00 -0.21 1.19 0.72 -0.69 0.00 0.00 174.62 175.63 2gri s PHE 8 N -3.10 -0.27 -0.51 4.92 -0.71 -1.26 -4.85 117.98 112.20 2gri s PHE 8 Ca 0.63 0.58 -0.20 0.00 -1.04 0.00 0.00 56.93 56.89 2gri s PHE 8 Cb -0.16 0.28 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 2gri s PHE 8 CO 0.55 -0.13 0.64 0.41 -1.34 0.00 0.00 175.22 175.34 2gri n GLY 9 N 2.78 -0.82 0.56 1.99 0.00 -1.26 -4.99 105.19 103.46 2gri n GLY 9 Ca -0.15 1.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.86 2gri n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gri n GLU 10 N -0.64 0.28 0.00 1.61 -0.58 -1.26 -5.04 120.64 115.00 2gri n GLU 10 Ca -0.00 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2gri n GLU 10 Cb 0.56 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 2gri n GLU 10 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2gri n ASP 11 N -3.85 0.00 -3.61 1.62 2.03 -1.26 -5.17 116.55 106.31 2gri n ASP 11 Ca -0.15 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.11 2gri n ASP 11 Cb 0.43 0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 41.13 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 -1.68 0.00 0.50 5.18 -1.32 -1.26 -5.14 115.64 111.93 2gri s THR 12 Ca 0.00 -0.22 -0.03 0.00 -1.21 0.00 0.00 61.69 60.24 2gri s THR 12 Cb 0.00 -1.43 -0.00 0.00 -1.51 0.00 0.00 72.50 69.56 2gri s THR 12 CO 0.00 0.00 0.77 -0.69 -2.21 0.00 0.00 174.62 172.49 2gri s VAL 13 N -2.92 4.03 -1.26 5.08 1.01 -1.26 -3.56 120.40 121.52 2gri s VAL 13 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2gri s VAL 13 Cb -0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2gri s VAL 13 CO -0.04 -0.46 0.00 0.79 0.00 0.00 0.00 175.10 175.38 2gri n TRP 14 N -2.28 0.00 0.00 5.22 7.02 -1.26 -4.66 117.44 121.47 2gri n TRP 14 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2gri n TRP 14 Cb 0.57 -2.60 0.00 0.00 -2.42 0.00 0.00 31.31 26.86 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 -1.49 0.00 -0.07 -0.99 -0.58 -1.26 -4.90 120.64 111.34 2gri n GLU 15 Ca -0.12 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.53 2gri n GLU 15 Cb 0.53 -0.56 -0.09 0.00 -0.57 0.00 0.00 31.44 30.76 2gri n GLU 15 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2gri n VAL 16 N -1.85 0.91 -0.13 2.62 0.31 -1.23 -4.49 118.33 114.46 2gri n VAL 16 Ca 0.00 -0.44 0.27 0.00 -0.01 0.00 0.00 64.34 64.16 2gri n VAL 16 Cb 0.12 -0.90 0.72 0.00 -0.91 0.00 0.00 33.84 32.87 2gri n VAL 16 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 2gri h GLN 17 N 0.00 0.00 -3.74 5.55 3.07 -1.88 -3.46 115.11 114.65 2gri h GLN 17 Ca -0.36 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.16 2gri h GLN 17 Cb 1.66 0.00 0.08 0.00 0.08 0.00 0.00 27.48 29.30 2gri h GLN 17 CO -0.02 0.00 -0.39 0.41 0.09 0.00 0.00 178.83 178.92 2gri n GLY 18 N -1.69 0.10 3.65 0.06 0.00 -1.26 -3.35 105.19 102.69 2gri n GLY 18 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.18 0.40 0.21 1.61 2.02 -1.26 -1.64 117.35 115.52 2gri s TYR 19 Ca 0.33 -0.81 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2gri s TYR 19 Cb -0.15 0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.76 2gri s TYR 19 CO 0.41 -1.18 0.32 1.63 -1.57 0.00 0.00 175.55 175.16 2gri n LYS 20 N -0.47 0.46 -3.53 -0.62 4.01 0.22 -4.65 118.16 113.59 2gri n LYS 20 Ca -0.03 -1.52 -0.22 0.00 -0.51 0.00 0.00 58.31 56.03 2gri n LYS 20 Cb 0.61 1.55 -0.14 0.00 -0.51 0.00 0.00 35.03 36.54 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 -2.23 2.04 0.17 4.39 0.01 -1.26 -2.80 114.94 115.26 2gri s ASN 21 Ca 0.15 -0.55 0.11 0.00 -0.71 0.00 0.00 52.86 51.85 2gri s ASN 21 Cb -0.01 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.68 2gri s ASN 21 CO 0.11 -0.36 -0.22 0.54 -1.51 0.00 0.00 177.10 175.66 2gri s VAL 22 N 2.23 2.50 0.16 1.60 0.11 -0.99 -4.96 120.40 121.06 2gri s VAL 22 Ca 0.06 -1.88 0.07 0.00 -2.93 0.00 0.00 61.98 57.30 2gri s VAL 22 Cb -0.16 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 2gri s VAL 22 CO -0.16 -0.05 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.27 2gri s ARG 23 N -2.52 1.20 -0.06 1.54 0.52 -1.26 -1.63 118.95 116.75 2gri s ARG 23 Ca 0.20 -1.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.01 2gri s ARG 23 Cb -0.09 -1.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 2gri s ARG 23 CO 0.10 0.21 -0.09 0.42 0.02 0.00 0.00 175.30 175.96 2gri s ILE 24 N -2.39 3.55 -0.47 1.52 -1.09 -1.07 -1.78 121.20 119.48 2gri s ILE 24 Ca 0.16 -0.56 0.06 0.00 -2.23 0.00 0.00 60.65 58.07 2gri s ILE 24 Cb -0.04 -2.45 0.29 0.00 -1.58 0.00 0.00 42.46 38.68 2gri s ILE 24 CO 0.05 0.58 1.04 0.41 -1.23 0.00 0.00 174.94 175.79 2gri n THR 25 N 2.19 0.00 0.00 2.92 -1.04 -1.13 -4.76 114.28 112.46 2gri n THR 25 Ca -0.18 -1.46 0.00 0.00 -2.04 0.00 0.00 64.05 60.38 2gri n THR 25 Cb 0.53 1.48 0.00 0.00 -1.82 0.00 0.00 70.33 70.52 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 0.91 0.00 -3.64 -1.42 7.35 -1.26 -4.92 117.46 114.47 2gri n PHE 26 Ca 0.07 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.73 2gri n PHE 26 Cb 0.67 0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.50 2gri n PHE 26 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 2gri s GLU 27 N -0.87 0.06 0.00 -4.13 -1.05 -1.23 -4.97 118.70 106.51 2gri s GLU 27 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2gri s GLU 27 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 2gri s GLU 27 CO 0.00 -0.03 0.00 -0.11 0.95 0.00 0.00 175.26 176.07 2gri n LEU 28 N -0.01 0.00 0.00 1.83 7.94 -1.26 -4.64 117.00 120.86 2gri n LEU 28 Ca 0.05 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.85 2gri n LEU 28 Cb 0.56 0.16 -0.03 0.00 0.53 0.00 0.00 43.42 44.64 2gri n LEU 28 CO 0.08 -0.16 -0.05 -0.67 -1.11 0.00 0.00 177.39 175.48 2gri n ASP 29 N -1.96 0.06 0.00 1.96 -0.08 -1.26 -5.05 116.55 110.22 2gri n ASP 29 Ca 0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.28 2gri n ASP 29 Cb 0.00 0.68 0.00 0.00 2.34 0.00 0.00 41.12 44.14 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 -0.33 2.59 -0.10 -0.67 1.02 -1.26 -4.47 120.64 117.43 2gri n GLU 30 Ca 0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 2gri n GLU 30 Cb 0.28 -0.99 -0.14 0.00 -0.02 0.00 0.00 31.44 30.56 2gri n GLU 30 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2gri n ARG 31 N -2.15 0.82 -1.79 3.49 3.00 -1.26 -4.49 116.66 114.28 2gri n ARG 31 Ca 0.00 0.02 -0.27 0.00 -0.00 0.00 0.00 57.85 57.60 2gri n ARG 31 Cb 0.49 -1.49 0.04 0.00 0.00 0.00 0.00 32.46 31.50 2gri n ARG 31 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2gri n VAL 32 N -2.80 2.87 -0.03 5.15 0.24 -1.26 -4.74 118.33 117.75 2gri n VAL 32 Ca -0.33 -3.81 -0.13 0.00 -2.04 0.00 0.00 64.34 58.03 2gri n VAL 32 Cb 1.09 -1.13 -0.09 0.00 -1.47 0.00 0.00 33.84 32.24 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 2.11 0.16 0.87 -1.34 2.03 -1.79 -3.00 116.42 115.46 2gri h ASP 33 Ca 0.44 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2gri h ASP 33 Cb 1.32 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2gri h ASP 33 CO 1.01 0.62 0.00 2.29 -1.03 0.00 0.00 179.24 182.12 2gri n LYS 34 N -4.73 0.17 0.27 4.15 0.00 -1.26 -2.45 118.16 114.32 2gri n LYS 34 Ca -0.07 0.34 0.17 0.00 -0.00 0.00 0.00 58.31 58.74 2gri n LYS 34 Cb 0.30 -1.79 0.63 0.00 -0.00 0.00 0.00 35.03 34.16 2gri n LYS 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2gri h VAL 35 N 0.00 0.02 0.00 0.58 2.07 -1.86 0.32 116.25 117.38 2gri h VAL 35 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2gri h VAL 35 Cb 0.43 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2gri h VAL 35 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2gri n LEU 36 N -3.10 1.33 -0.00 2.57 -0.00 -1.05 -3.86 117.00 112.88 2gri n LEU 36 Ca 0.01 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.69 2gri n LEU 36 Cb 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2gri n LEU 36 CO 0.28 0.33 -0.51 -3.20 -0.00 0.00 0.00 177.39 174.29 2gri n ASN 37 N -0.18 4.89 0.00 1.45 5.15 -1.02 -3.86 115.26 121.69 2gri n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2gri n ASN 37 Cb 0.10 0.81 0.00 0.00 -0.53 0.00 0.00 39.78 40.16 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gri n GLU 38 N -1.72 3.07 0.10 1.20 2.13 0.10 -4.34 120.64 121.18 2gri n GLU 38 Ca -0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2gri n GLU 38 Cb 0.22 -1.00 0.01 0.00 0.27 0.00 0.00 31.44 30.94 2gri n GLU 38 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2gri h LYS 39 N 0.00 0.00 -0.15 5.31 3.64 -1.38 -3.44 116.57 120.55 2gri h LYS 39 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2gri h LYS 39 Cb 0.99 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.65 2gri h LYS 39 CO 0.00 0.78 -0.09 0.00 -2.27 0.00 0.00 179.45 177.86 2gri n SER 41 N 3.24 0.25 -4.77 0.00 2.88 -1.25 -4.47 113.62 109.49 2gri n SER 41 Ca 0.07 -0.47 -0.39 0.00 -1.33 0.00 0.00 58.87 56.75 2gri n SER 41 Cb 0.64 0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 65.04 2gri n SER 41 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2gri s VAL 42 N -1.04 4.84 0.01 2.46 0.11 -1.26 -2.59 120.40 122.92 2gri s VAL 42 Ca 0.00 1.27 -0.07 0.00 -2.93 0.00 0.00 61.98 60.26 2gri s VAL 42 Cb 0.00 -3.94 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2gri s VAL 42 CO 0.00 0.45 0.12 -0.31 -3.33 0.00 0.00 175.10 172.03 2gri s TYR 43 N -0.43 0.08 0.17 1.54 1.51 -0.65 -5.01 117.35 114.55 2gri s TYR 43 Ca 0.31 -0.21 -0.20 0.00 -1.01 0.00 0.00 57.07 55.96 2gri s TYR 43 Cb -0.19 -0.07 -0.08 0.00 -0.11 0.00 0.00 41.96 41.52 2gri s TYR 43 CO 0.18 -0.29 0.68 0.99 -1.11 0.00 0.00 175.55 176.01 2gri s THR 44 N -1.52 4.59 -0.20 -0.71 2.01 -1.26 -2.33 115.64 116.22 2gri s THR 44 Ca -0.14 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.17 2gri s THR 44 Cb -0.07 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.57 2gri s THR 44 CO 0.01 0.35 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 2gri s VAL 45 N -1.35 1.37 1.18 3.82 1.01 -1.12 -4.91 120.40 120.40 2gri s VAL 45 Ca 0.38 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2gri s VAL 45 Cb -0.18 -1.56 0.22 0.00 0.00 0.00 0.00 36.38 34.86 2gri s VAL 45 CO 0.21 0.06 0.45 1.21 0.00 0.00 0.00 175.10 177.03 2gri n GLU 46 N 4.76 -2.74 -0.00 2.72 2.13 -1.26 -0.61 120.64 125.65 2gri n GLU 46 Ca -0.13 -0.80 0.14 0.00 0.66 0.00 0.00 57.16 57.03 2gri n GLU 46 Cb 0.46 -1.75 0.48 0.00 0.27 0.00 0.00 31.44 30.90 2gri n GLU 46 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2gri n SER 47 N -3.02 1.64 -3.00 4.31 7.64 -0.65 -4.39 113.62 116.16 2gri n SER 47 Ca 0.05 -1.55 -0.15 0.00 1.01 0.00 0.00 58.87 58.23 2gri n SER 47 Cb 0.52 -0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2gri n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gri n GLY 48 N 1.19 2.10 0.63 0.23 0.00 -1.26 -5.04 105.19 103.03 2gri n GLY 48 Ca 0.19 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 2gri n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gri n THR 49 N 0.71 0.00 -4.27 2.61 5.66 -1.26 -5.17 114.28 112.56 2gri n THR 49 Ca 0.17 -0.42 -0.16 0.00 -3.05 0.00 0.00 64.05 60.58 2gri n THR 49 Cb 0.64 0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.42 2gri n THR 49 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2gri s GLU 50 N -2.31 1.10 0.66 1.09 2.02 -1.26 -5.02 118.70 114.99 2gri s GLU 50 Ca 0.01 -1.43 0.42 0.00 0.02 0.00 0.00 54.97 53.99 2gri s GLU 50 Cb 0.00 -0.79 2.30 0.00 0.10 0.00 0.00 34.13 35.74 2gri s GLU 50 CO 0.01 0.12 2.32 0.28 0.02 0.00 0.00 175.26 178.00 2gri h VAL 51 N 2.91 0.05 0.00 2.63 2.07 -1.96 0.26 116.25 122.22 2gri h VAL 51 Ca -0.38 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 2gri h VAL 51 Cb 1.20 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2gri h VAL 51 CO 0.60 0.00 -0.94 0.00 0.02 0.00 0.00 177.57 177.25 2gri h THR 52 N 0.00 0.78 -0.67 2.57 1.03 -1.97 -3.32 112.91 111.33 2gri h THR 52 Ca 0.00 -2.23 -0.00 0.00 -0.01 0.00 0.00 66.41 64.17 2gri h THR 52 Cb 0.08 2.30 -0.03 0.00 -1.07 0.00 0.00 68.15 69.42 2gri h THR 52 CO -0.00 0.45 0.41 -0.08 -0.01 0.00 0.00 175.52 176.29 2gri h GLU 53 N 0.00 0.90 0.00 0.00 4.57 -1.34 -0.59 114.58 118.13 2gri h GLU 53 Ca -0.07 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2gri h GLU 53 Cb 1.51 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2gri h GLU 53 CO 0.06 0.62 0.00 0.74 -1.18 0.00 0.00 179.01 179.26 2gri h PHE 54 N 0.92 0.00 0.00 0.92 0.04 -1.65 -2.28 116.94 114.89 2gri h PHE 54 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2gri h PHE 54 Cb -0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.10 2gri h PHE 54 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2gri n ALA 55 N -2.00 2.10 0.29 2.45 0.00 -0.23 -0.87 120.51 122.26 2gri n ALA 55 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2gri n ALA 55 Cb 0.27 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.27 0.78 1.10 0.00 3.14 -1.05 -3.99 118.33 117.03 2gri n VAL 57 Ca 0.01 -0.55 0.12 0.00 -2.96 0.00 0.00 64.34 60.96 2gri n VAL 57 Cb 0.13 -0.46 0.27 0.00 -1.06 0.00 0.00 33.84 32.72 2gri n VAL 57 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2gri n VAL 58 N -2.43 0.00 0.45 1.55 0.31 -0.05 -3.16 118.33 115.01 2gri n VAL 58 Ca -0.19 -0.06 0.05 0.00 -0.01 0.00 0.00 64.34 64.14 2gri n VAL 58 Cb 0.85 0.39 0.05 0.00 -0.91 0.00 0.00 33.84 34.21 2gri n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri n ALA 59 N -1.12 2.48 0.09 3.52 0.00 -1.26 -4.38 120.51 119.84 2gri n ALA 59 Ca 0.08 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.94 2gri n ALA 59 Cb 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 2gri n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2gri n GLU 60 N 0.61 5.24 -0.06 0.00 0.28 -1.25 -4.40 120.64 121.07 2gri n GLU 60 Ca 0.06 -0.10 0.09 0.00 -0.16 0.00 0.00 57.16 57.05 2gri n GLU 60 Cb 0.27 -0.66 0.11 0.00 1.43 0.00 0.00 31.44 32.59 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gri n ALA 61 N -0.86 2.43 0.01 -1.84 0.00 -1.19 -4.37 120.51 114.70 2gri n ALA 61 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 53.44 52.71 2gri n ALA 61 Cb 0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 0.99 0.00 1.14 0.00 0.24 -1.26 -4.49 118.33 114.95 2gri n VAL 62 Ca 0.12 -0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.35 2gri n VAL 62 Cb 0.45 0.41 0.44 0.00 -1.47 0.00 0.00 33.84 33.68 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 -1.65 0.00 -0.03 3.34 0.31 -1.26 -0.21 118.33 118.82 2gri n VAL 63 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2gri n VAL 63 Cb 0.14 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 -0.91 4.16 0.00 5.55 0.00 -1.26 -4.63 118.16 121.07 2gri n LYS 64 Ca 0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2gri n LYS 64 Cb 0.05 -0.60 0.00 0.00 -0.00 0.00 0.00 35.03 34.48 2gri n LYS 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2gri n THR 65 N -0.63 0.00 -0.66 0.58 -1.04 -0.83 -4.62 114.28 107.08 2gri n THR 65 Ca 0.00 -0.45 0.08 0.00 -2.04 0.00 0.00 64.05 61.64 2gri n THR 65 Cb 0.01 0.97 0.27 0.00 -1.82 0.00 0.00 70.33 69.76 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 -0.97 3.97 -1.84 -4.42 7.99 0.70 -4.44 117.00 118.00 2gri n LEU 66 Ca 0.00 -2.57 -0.09 0.00 -0.01 0.00 0.00 56.01 53.33 2gri n LEU 66 Cb 0.00 -0.47 0.07 0.00 -0.11 0.00 0.00 43.42 42.90 2gri n LEU 66 CO 0.00 0.73 0.17 0.00 -1.51 0.00 0.00 177.39 176.77 2gri n GLN 67 N 0.29 2.40 0.22 3.23 10.64 -1.26 -4.80 117.38 128.09 2gri n GLN 67 Ca 0.20 -3.62 0.09 0.00 -1.83 0.00 0.00 57.00 51.84 2gri n GLN 67 Cb 0.78 -1.76 0.48 0.00 -0.86 0.00 0.00 30.24 28.88 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 2gri h PRO 68 N 1.90 0.00 -0.42 2.61 0.13 -1.89 -3.35 132.00 130.98 2gri h PRO 68 Ca 0.12 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.97 2gri h PRO 68 Cb 1.40 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.30 2gri h PRO 68 CO 0.40 0.25 -0.63 1.33 -0.23 0.00 0.00 178.00 179.12 2gri n VAL 69 N -3.54 0.17 0.26 1.56 0.24 -1.26 -4.95 118.33 110.81 2gri n VAL 69 Ca -0.01 -2.15 0.17 0.00 -2.04 0.00 0.00 64.34 60.31 2gri n VAL 69 Cb 0.40 0.92 0.89 0.00 -1.47 0.00 0.00 33.84 34.58 2gri n VAL 69 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2gri h SER 70 N 2.57 0.00 -0.02 -1.34 0.02 -1.89 -1.32 113.55 111.57 2gri h SER 70 Ca -0.16 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2gri h SER 70 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2gri h SER 70 CO 0.16 0.00 0.14 -2.24 -1.14 0.00 0.00 176.83 173.74 2gri h ASP 71 N 0.00 0.00 0.00 3.07 2.03 -1.93 0.11 116.42 119.70 2gri h ASP 71 Ca 0.00 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.98 2gri h ASP 71 Cb 0.12 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.56 2gri h ASP 71 CO 0.00 0.00 -2.22 0.00 -1.03 0.00 0.00 179.24 175.99 2gri n LEU 72 N -3.11 2.01 -0.17 0.15 -0.00 -0.50 -4.27 117.00 111.11 2gri n LEU 72 Ca -0.02 -0.08 -0.07 0.00 -0.00 0.00 0.00 56.01 55.84 2gri n LEU 72 Cb 0.21 -0.38 0.09 0.00 -0.00 0.00 0.00 43.42 43.34 2gri n LEU 72 CO 0.19 0.72 0.86 -0.07 -0.00 0.00 0.00 177.39 179.09 2gri h LEU 73 N 0.00 0.92 -1.13 1.47 4.07 -1.41 -2.02 115.31 117.21 2gri h LEU 73 Ca -0.48 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.24 2gri h LEU 73 Cb 1.85 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.35 2gri h LEU 73 CO -0.04 0.97 0.00 0.74 -1.08 0.00 0.00 178.44 179.03 2gri h THR 74 N 0.88 0.00 0.00 0.22 2.02 -0.13 0.29 112.91 116.19 2gri h THR 74 Ca 0.16 -0.32 -0.22 0.00 0.77 0.00 0.00 66.41 66.81 2gri h THR 74 Cb 0.50 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 2gri h THR 74 CO 0.02 0.00 -1.57 -0.46 0.37 0.00 0.00 175.52 173.88 2gri n ASN 75 N -2.60 0.81 0.03 4.18 0.23 -0.82 -4.11 115.26 112.97 2gri n ASN 75 Ca 0.01 0.37 -0.05 0.00 -0.53 0.00 0.00 54.58 54.38 2gri n ASN 75 Cb 0.24 0.15 -0.10 0.00 -2.08 0.00 0.00 39.78 37.99 2gri n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gri h MET 76 N 0.00 0.00 0.00 -3.83 -0.00 -0.97 -3.48 114.93 106.65 2gri h MET 76 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.48 2gri h MET 76 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.35 2gri h MET 76 CO 0.06 0.59 0.00 0.41 -0.00 0.00 0.00 176.91 177.96 2gri n GLY 77 N 1.42 1.20 3.61 -3.00 0.00 -0.38 -5.10 105.19 102.94 2gri n GLY 77 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.13 4.27 -0.40 -0.61 1.01 0.90 -4.90 121.20 121.33 2gri s ILE 78 Ca 0.00 1.33 -0.04 0.00 0.00 0.00 0.00 60.65 61.94 2gri s ILE 78 Cb 0.00 -4.57 0.10 0.00 0.01 0.00 0.00 42.46 38.00 2gri s ILE 78 CO 0.00 -0.90 0.20 -0.62 0.00 0.00 0.00 174.94 173.62 2gri s ASP 79 N 2.29 5.31 0.52 3.58 -1.08 -1.26 -1.94 116.67 124.09 2gri s ASP 79 Ca 0.47 -1.87 0.33 0.00 -0.52 0.00 0.00 52.55 50.96 2gri s ASP 79 Cb -0.08 -1.86 1.47 0.00 -1.46 0.00 0.00 42.92 41.00 2gri s ASP 79 CO 0.28 -0.53 1.83 0.25 0.52 0.00 0.00 175.17 177.53 2gri h LEU 80 N 8.13 0.06 -1.98 -1.34 7.12 -1.93 0.36 115.31 125.72 2gri h LEU 80 Ca -0.16 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.04 2gri h LEU 80 Cb 1.06 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2gri h LEU 80 CO 0.71 0.01 0.50 -0.78 -0.13 0.00 0.00 178.44 178.75 2gri h ASP 81 N 0.05 0.00 0.45 1.25 1.82 -2.00 0.86 116.42 118.85 2gri h ASP 81 Ca 0.52 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.86 2gri h ASP 81 Cb 1.98 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.95 2gri h ASP 81 CO -0.04 0.00 -1.68 1.05 -1.61 0.00 0.00 179.24 176.96 2gri h GLU 82 N 0.00 0.10 -0.86 0.28 4.11 -0.65 -3.34 114.58 114.22 2gri h GLU 82 Ca 0.29 -0.17 0.16 0.00 0.07 0.00 0.00 59.36 59.71 2gri h GLU 82 Cb 1.29 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 2gri h GLU 82 CO -0.00 0.79 0.43 -1.49 0.07 0.00 0.00 179.01 178.81 2gri h TRP 83 N 0.03 0.76 -0.52 2.06 4.06 -0.77 0.29 115.95 121.85 2gri h TRP 83 Ca -0.28 0.04 -0.10 0.00 2.06 0.00 0.00 58.89 60.60 2gri h TRP 83 Cb 2.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 29.94 2gri h TRP 83 CO 0.03 0.15 -0.08 1.03 -3.56 0.00 0.00 178.44 176.01 2gri h SER 84 N 0.60 0.97 -0.98 -3.49 0.87 -1.66 -2.96 113.55 106.89 2gri h SER 84 Ca 0.48 -0.34 -0.59 0.00 -1.23 0.00 0.00 61.79 60.11 2gri h SER 84 Cb 0.71 -0.26 -0.30 0.00 -0.44 0.00 0.00 62.40 62.11 2gri h SER 84 CO -0.38 1.09 0.72 0.55 -0.53 0.00 0.00 176.83 178.27 2gri n VAL 85 N -4.21 3.38 -3.51 2.23 3.14 -0.23 -4.96 118.33 114.18 2gri n VAL 85 Ca 0.01 -2.44 -0.13 0.00 -2.96 0.00 0.00 64.34 58.82 2gri n VAL 85 Cb 0.38 -0.79 0.01 0.00 -1.06 0.00 0.00 33.84 32.38 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gri n ALA 86 N -1.04 0.51 -3.79 1.55 0.00 0.85 -4.97 120.51 113.63 2gri n ALA 86 Ca 0.60 -1.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.53 2gri n ALA 86 Cb 1.18 0.43 -0.12 0.00 0.00 0.00 0.00 19.45 20.95 2gri n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gri s THR 87 N -1.29 3.21 -0.16 0.00 2.01 -1.26 -5.04 115.64 113.10 2gri s THR 87 Ca 0.21 -2.06 -0.22 0.00 0.31 0.00 0.00 61.69 59.93 2gri s THR 87 Cb -0.02 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2gri s THR 87 CO 0.13 -0.67 0.65 -0.36 -0.69 0.00 0.00 174.62 173.68 2gri s PHE 88 N 1.13 3.44 0.48 4.92 0.40 -1.26 -4.78 117.98 122.30 2gri s PHE 88 Ca 0.08 1.03 0.06 0.00 -0.60 0.00 0.00 56.93 57.50 2gri s PHE 88 Cb -0.22 -2.80 -0.00 0.00 0.51 0.00 0.00 43.02 40.51 2gri s PHE 88 CO -0.04 -0.09 0.34 0.71 0.70 0.00 0.00 175.22 176.83 2gri s TYR 89 N 1.57 2.17 0.11 0.36 2.02 -1.06 -4.87 117.35 117.65 2gri s TYR 89 Ca 0.31 -0.68 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2gri s TYR 89 Cb -0.16 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 2gri s TYR 89 CO 0.12 -0.20 0.07 -0.51 -1.57 0.00 0.00 175.55 173.46 2gri s LEU 90 N -4.14 1.84 0.17 -1.29 1.02 -1.26 -2.79 118.68 112.22 2gri s LEU 90 Ca 0.39 -1.07 -0.24 0.00 0.02 0.00 0.00 54.13 53.24 2gri s LEU 90 Cb -0.01 0.44 0.06 0.00 0.02 0.00 0.00 46.19 46.70 2gri s LEU 90 CO 0.23 -0.71 0.75 -0.36 0.02 0.00 0.00 176.35 176.28 2gri s PHE 91 N -3.99 -0.33 0.26 0.29 0.08 -0.63 -4.53 117.98 109.14 2gri s PHE 91 Ca 0.17 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.27 2gri s PHE 91 Cb 0.07 0.62 -0.00 0.00 -0.57 0.00 0.00 43.02 43.13 2gri s PHE 91 CO -0.03 -0.91 0.02 -0.25 -0.10 0.00 0.00 175.22 173.96 2gri n ASP 92 N -0.40 2.31 0.03 1.36 9.92 0.04 -1.50 116.55 128.31 2gri n ASP 92 Ca -0.10 -2.20 0.08 0.00 -0.53 0.00 0.00 54.79 52.04 2gri n ASP 92 Cb 0.62 0.30 0.35 0.00 -0.64 0.00 0.00 41.12 41.74 2gri n ASP 92 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2gri n ASP 93 N -1.33 0.16 -1.02 -2.24 -0.08 -1.26 -1.68 116.55 109.10 2gri n ASP 93 Ca -0.09 0.54 0.11 0.00 -1.51 0.00 0.00 54.79 53.84 2gri n ASP 93 Cb 0.35 -0.57 0.18 0.00 2.34 0.00 0.00 41.12 43.41 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gri n ALA 94 N -1.57 2.41 -2.48 -1.67 0.00 -1.26 -4.96 120.51 110.98 2gri n ALA 94 Ca 0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 2gri n ALA 94 Cb 0.18 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 1.31 0.12 3.20 0.00 0.00 -0.68 -5.04 105.19 104.10 2gri n GLY 95 Ca 0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.88 0.92 -1.11 1.61 -1.05 -1.26 -4.85 118.70 108.08 2gri s GLU 96 Ca 0.10 -1.34 -0.20 0.00 -0.15 0.00 0.00 54.97 53.38 2gri s GLU 96 Cb -0.04 -0.44 0.07 0.00 -0.44 0.00 0.00 34.13 33.28 2gri s GLU 96 CO 0.12 0.04 1.50 -1.21 0.95 0.00 0.00 175.26 176.66 2gri s GLU 97 N -3.56 3.75 0.32 -4.83 2.02 -1.26 -0.78 118.70 114.35 2gri s GLU 97 Ca 0.12 -1.57 0.04 0.00 0.02 0.00 0.00 54.97 53.58 2gri s GLU 97 Cb 0.02 -5.34 -0.06 0.00 0.10 0.00 0.00 34.13 28.85 2gri s GLU 97 CO -0.02 -2.14 0.05 -0.80 0.02 0.00 0.00 175.26 172.38 2gri s ASN 98 N 4.44 2.38 -0.58 -0.19 0.01 -1.26 -4.88 114.94 114.86 2gri s ASN 98 Ca 0.47 -1.37 0.05 0.00 -0.71 0.00 0.00 52.86 51.30 2gri s ASN 98 Cb 0.00 -0.09 0.34 0.00 0.41 0.00 0.00 41.25 41.92 2gri s ASN 98 CO -0.04 -0.60 0.96 2.22 -1.51 0.00 0.00 177.10 178.13 2gri n PHE 99 N -0.68 4.05 -0.88 2.20 -1.74 -1.26 -4.73 117.46 114.41 2gri n PHE 99 Ca -0.02 -3.97 0.00 0.00 -0.56 0.00 0.00 57.45 52.90 2gri n PHE 99 Cb 0.66 -0.48 0.00 0.00 1.52 0.00 0.00 39.48 41.19 2gri n PHE 99 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2gri n SER 100 N -0.26 -0.03 -0.26 5.98 2.88 -1.26 -4.93 113.62 115.75 2gri n SER 100 Ca 0.31 -0.88 0.06 0.00 -1.33 0.00 0.00 58.87 57.03 2gri n SER 100 Cb 0.40 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.06 2gri n SER 100 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2gri h SER 101 N -0.03 0.21 -3.46 -3.46 0.02 -1.97 -3.41 113.55 101.45 2gri h SER 101 Ca 0.00 0.12 -0.66 0.00 -0.84 0.00 0.00 61.79 60.41 2gri h SER 101 Cb 0.00 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 62.52 2gri h SER 101 CO 0.00 0.06 -0.69 -0.60 -1.14 0.00 0.00 176.83 174.46 2gri s ARG 102 N -6.01 2.45 0.04 3.45 3.52 -1.26 -3.99 118.95 117.15 2gri s ARG 102 Ca -0.12 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 54.67 2gri s ARG 102 Cb 0.21 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 31.10 2gri s ARG 102 CO 0.76 0.55 -0.11 -1.64 -0.81 0.00 0.00 175.30 174.05 2gri s MET 103 N -2.03 0.75 -0.08 5.12 -1.94 -0.73 -4.85 119.30 115.53 2gri s MET 103 Ca 0.22 -0.73 0.05 0.00 -1.71 0.00 0.00 55.69 53.52 2gri s MET 103 Cb -0.11 -0.69 -0.01 0.00 2.01 0.00 0.00 34.83 36.03 2gri s MET 103 CO 0.14 0.16 -0.24 0.71 -0.01 0.00 0.00 175.02 175.78 2gri s TYR 104 N -1.00 2.51 -0.51 -0.03 2.02 -0.56 -2.83 117.35 116.95 2gri s TYR 104 Ca -0.02 -0.84 -0.16 0.00 -0.37 0.00 0.00 57.07 55.68 2gri s TYR 104 Cb -0.08 -1.66 0.10 0.00 -0.40 0.00 0.00 41.96 39.92 2gri s TYR 104 CO 0.01 -0.29 0.46 0.00 -1.57 0.00 0.00 175.55 174.16 2gri s SER 106 N 3.16 6.00 0.40 0.00 1.04 -1.12 -3.52 113.70 119.66 2gri s SER 106 Ca 0.04 -0.18 0.28 0.00 0.48 0.00 0.00 55.95 56.57 2gri s SER 106 Cb -0.27 -2.12 1.35 0.00 0.10 0.00 0.00 66.02 65.08 2gri s SER 106 CO 0.05 -0.12 1.85 0.15 0.98 0.00 0.00 173.24 176.15 2gri h PHE 107 N 8.41 0.00 -2.71 5.02 3.04 -1.86 -2.80 116.94 126.05 2gri h PHE 107 Ca -0.34 0.00 -0.57 0.00 3.98 0.00 0.00 57.97 61.04 2gri h PHE 107 Cb 1.18 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.62 2gri h PHE 107 CO 0.72 0.00 -0.57 1.52 -2.02 0.00 0.00 178.31 177.96 2gri s TYR 108 N -3.59 3.14 0.96 0.41 1.13 -1.26 -4.78 117.35 113.36 2gri s TYR 108 Ca 0.00 -0.02 -0.12 0.00 -1.41 0.00 0.00 57.07 55.52 2gri s TYR 108 Cb 0.09 -1.51 0.17 0.00 -1.10 0.00 0.00 41.96 39.61 2gri s TYR 108 CO 0.36 0.52 1.09 -1.25 -2.51 0.00 0.00 175.55 173.76 2gri s PRO 109 N -3.10 0.74 0.08 -3.49 0.04 -1.26 -4.70 135.00 123.30 2gri s PRO 109 Ca 0.31 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 2gri s PRO 109 Cb -0.10 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 2gri s PRO 109 CO 0.23 -2.55 1.39 -1.00 0.04 0.00 0.00 177.00 175.12 2gri h PRO 110 N -1.77 0.57 0.00 0.56 0.13 -1.96 -3.46 132.00 126.07 2gri h PRO 110 Ca -0.53 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2gri h PRO 110 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2gri h PRO 110 CO 0.56 0.89 0.00 -0.25 -0.23 0.00 0.00 178.00 178.97 2gri n ASP 111 N -4.38 0.00 0.00 1.44 9.92 -1.26 -5.20 116.55 117.06 2gri n ASP 111 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2gri n ASP 111 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54