#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 1.56 -3.13 0.00 -0.04 -1.26 -4.91 135.00 127.22 2gri n PRO 2 Ca 0.00 -2.34 -0.42 0.00 -0.04 0.00 0.00 63.50 60.70 2gri n PRO 2 Cb 0.00 -3.58 -0.07 0.00 -0.04 0.00 0.00 33.50 29.82 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 9.98 4.91 0.00 0.52 1.01 -1.26 -4.95 121.20 131.41 2gri s ILE 3 Ca 0.67 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2gri s ILE 3 Cb 0.02 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2gri s ILE 3 CO 0.14 -0.30 0.00 1.17 0.00 0.00 0.00 174.94 175.95 2gri n LYS 4 N 6.00 0.00 -3.19 2.79 4.81 -0.74 -3.45 118.16 124.38 2gri n LYS 4 Ca -0.02 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.97 2gri n LYS 4 Cb 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.52 2gri n LYS 4 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2gri s GLY 5 N -0.24 2.54 -0.85 3.14 0.00 -1.26 -4.64 107.32 106.01 2gri s GLY 5 Ca 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 44.72 41.42 2gri s GLY 5 CO 0.00 1.54 0.73 -0.62 0.00 0.00 0.00 173.10 174.75 2gri n VAL 6 N 4.22 -8.47 -3.52 1.40 0.31 -1.24 -5.03 118.33 105.99 2gri n VAL 6 Ca 0.20 -0.47 -0.17 0.00 -0.01 0.00 0.00 64.34 63.89 2gri n VAL 6 Cb 0.46 -5.96 -0.06 0.00 -0.91 0.00 0.00 33.84 27.38 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 -3.11 0.00 -0.16 2.52 2.01 -1.22 -5.16 115.64 110.52 2gri s THR 7 Ca 0.13 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 2gri s THR 7 Cb -0.03 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.56 2gri s THR 7 CO 0.78 0.00 0.78 0.72 -0.69 0.00 0.00 174.62 176.21 2gri s PHE 8 N -1.22 -0.63 -1.00 4.92 -0.71 -1.26 -4.61 117.98 113.47 2gri s PHE 8 Ca -0.10 1.29 -0.05 0.00 -1.04 0.00 0.00 56.93 57.04 2gri s PHE 8 Cb -0.00 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 2gri s PHE 8 CO 0.09 -0.46 0.87 0.41 -1.34 0.00 0.00 175.22 174.78 2gri n GLY 9 N 1.55 -0.91 0.67 1.99 0.00 -1.26 -4.98 105.19 102.25 2gri n GLY 9 Ca -0.15 0.45 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.24 0.22 0.02 1.61 -0.58 -1.26 -5.04 120.64 112.37 2gri n GLU 10 Ca -0.10 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2gri n GLU 10 Cb 0.62 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 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 -3.75 0.08 -3.69 1.62 2.03 -1.26 -5.17 116.55 106.40 2gri n ASP 11 Ca -0.11 0.08 0.02 0.00 0.52 0.00 0.00 54.79 55.30 2gri n ASP 11 Cb 0.36 0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.79 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 -1.22 0.00 0.50 5.18 -1.32 -1.26 -5.12 115.64 112.40 2gri s THR 12 Ca 0.00 -0.23 -0.02 0.00 -1.21 0.00 0.00 61.69 60.23 2gri s THR 12 Cb 0.00 -2.52 -0.00 0.00 -1.51 0.00 0.00 72.50 68.47 2gri s THR 12 CO 0.00 0.00 0.76 -0.69 -2.21 0.00 0.00 174.62 172.48 2gri s VAL 13 N -2.22 3.92 -1.49 5.08 1.01 -1.26 -3.47 120.40 121.97 2gri s VAL 13 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2gri s VAL 13 Cb 0.02 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2gri s VAL 13 CO -0.02 -0.41 0.00 0.79 0.00 0.00 0.00 175.10 175.46 2gri n TRP 14 N -2.27 0.00 0.00 5.22 7.02 -1.26 -4.63 117.44 121.51 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 -2.85 0.00 0.00 -2.42 0.00 0.00 31.31 26.61 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 -1.63 0.08 0.00 -0.99 -0.58 -1.26 -4.95 120.64 111.31 2gri n GLU 15 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2gri n GLU 15 Cb 0.58 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 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 -1.35 0.00 -0.26 2.62 0.31 -1.23 -4.77 118.33 113.66 2gri n VAL 16 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2gri n VAL 16 Cb 0.04 -0.55 0.20 0.00 -0.91 0.00 0.00 33.84 32.62 2gri n VAL 16 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2gri h GLN 17 N 0.00 0.34 -0.55 5.55 4.15 -1.91 -3.40 115.11 119.29 2gri h GLN 17 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2gri h GLN 17 Cb 0.76 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2gri h GLN 17 CO 0.00 0.22 0.00 0.41 -1.93 0.00 0.00 178.83 177.53 2gri n GLY 18 N -1.34 0.87 3.49 2.39 0.00 -1.26 -1.79 105.19 107.54 2gri n GLY 18 Ca 0.15 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.55 0.23 0.21 1.61 2.02 -1.26 -2.12 117.35 115.49 2gri s TYR 19 Ca 0.00 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 2gri s TYR 19 Cb 0.00 0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.71 2gri s TYR 19 CO 0.00 -0.88 0.19 1.63 -1.57 0.00 0.00 175.55 174.92 2gri n LYS 20 N -0.32 0.27 -3.64 -0.62 4.01 0.90 -4.38 118.16 114.39 2gri n LYS 20 Ca -0.06 -2.07 -0.28 0.00 -0.51 0.00 0.00 58.31 55.39 2gri n LYS 20 Cb 0.62 1.72 -0.16 0.00 -0.51 0.00 0.00 35.03 36.70 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 -2.45 3.23 0.13 4.39 0.01 -1.26 -2.87 114.94 116.12 2gri s ASN 21 Ca 0.25 -1.11 0.07 0.00 -0.71 0.00 0.00 52.86 51.36 2gri s ASN 21 Cb 0.01 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 2gri s ASN 21 CO 0.17 -0.39 -0.07 0.54 -1.51 0.00 0.00 177.10 175.84 2gri s VAL 22 N 1.96 3.46 0.17 1.60 0.11 -0.52 -4.54 120.40 122.64 2gri s VAL 22 Ca 0.05 -1.34 0.07 0.00 -2.93 0.00 0.00 61.98 57.83 2gri s VAL 22 Cb -0.16 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 2gri s VAL 22 CO -0.22 0.03 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.31 2gri s ARG 23 N -2.46 1.18 -0.13 1.54 1.81 -1.09 -1.06 118.95 118.75 2gri s ARG 23 Ca 0.23 -1.45 0.02 0.00 -1.72 0.00 0.00 55.73 52.82 2gri s ARG 23 Cb -0.10 -0.97 0.00 0.00 -0.45 0.00 0.00 34.95 33.43 2gri s ARG 23 CO 0.15 0.17 -0.20 0.42 -0.68 0.00 0.00 175.30 175.16 2gri s ILE 24 N -2.73 2.31 -0.50 1.52 -1.09 -0.99 -0.67 121.20 119.04 2gri s ILE 24 Ca 0.17 -0.91 0.06 0.00 -2.23 0.00 0.00 60.65 57.74 2gri s ILE 24 Cb -0.02 -1.93 0.20 0.00 -1.58 0.00 0.00 42.46 39.14 2gri s ILE 24 CO 0.04 0.54 0.79 0.41 -1.23 0.00 0.00 174.94 175.49 2gri n THR 25 N 3.77 0.00 0.00 2.92 -1.04 -1.13 -4.58 114.28 114.22 2gri n THR 25 Ca -0.19 -1.05 0.00 0.00 -2.04 0.00 0.00 64.05 60.77 2gri n THR 25 Cb 0.52 1.08 0.00 0.00 -1.82 0.00 0.00 70.33 70.11 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 2.66 0.00 0.00 -1.42 7.35 -1.26 -4.82 117.46 119.97 2gri n PHE 26 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 2gri n PHE 26 Cb 0.58 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.41 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 -1.56 0.00 0.12 -4.13 1.02 -1.25 -5.00 120.64 109.84 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 -0.67 -4.43 -4.62 7.99 -1.26 -4.72 117.00 109.28 2gri n LEU 28 Ca 0.00 0.43 -0.21 0.00 -0.01 0.00 0.00 56.01 56.21 2gri n LEU 28 Cb 0.00 0.80 -0.10 0.00 -0.11 0.00 0.00 43.42 44.01 2gri n LEU 28 CO 0.00 -0.57 -0.23 -1.81 -1.51 0.00 0.00 177.39 173.26 2gri s ASP 29 N -4.48 2.18 -0.14 -1.43 1.01 -1.26 -5.05 116.67 107.48 2gri s ASP 29 Ca 0.00 -1.49 -0.05 0.00 0.71 0.00 0.00 52.55 51.71 2gri s ASP 29 Cb 0.00 0.20 -0.07 0.00 1.01 0.00 0.00 42.92 44.07 2gri s ASP 29 CO 0.00 -0.77 -0.17 -0.62 0.21 0.00 0.00 175.17 173.82 2gri n GLU 30 N -0.70 0.31 0.20 8.23 -0.58 -1.26 -3.62 120.64 123.23 2gri n GLU 30 Ca -0.03 0.12 0.14 0.00 -0.42 0.00 0.00 57.16 56.97 2gri n GLU 30 Cb 0.66 -1.07 0.38 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.40 0.00 -0.66 3.49 9.65 -2.04 -3.31 114.38 121.11 2gri h ARG 31 Ca -0.35 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.23 2gri h ARG 31 Cb 1.35 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.53 2gri h ARG 31 CO -0.18 0.00 -1.13 1.33 2.80 0.00 0.00 179.97 182.78 2gri n VAL 32 N -2.85 1.23 0.23 0.20 0.24 -1.26 -4.93 118.33 111.18 2gri n VAL 32 Ca 0.03 -3.04 -0.12 0.00 -2.04 0.00 0.00 64.34 59.18 2gri n VAL 32 Cb 0.42 0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 2gri n VAL 32 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2gri h ASP 33 N 2.73 -0.53 0.42 -1.34 1.82 -1.65 -3.08 116.42 114.79 2gri h ASP 33 Ca -0.10 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2gri h ASP 33 Cb 1.24 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.39 2gri h ASP 33 CO 0.32 -0.12 0.00 2.29 -1.61 0.00 0.00 179.24 180.12 2gri n LYS 34 N -5.21 0.11 0.19 0.28 0.00 -1.26 -1.87 118.16 110.39 2gri n LYS 34 Ca -0.09 0.44 0.14 0.00 -0.00 0.00 0.00 58.31 58.80 2gri n LYS 34 Cb 0.29 -1.76 0.58 0.00 -0.00 0.00 0.00 35.03 34.14 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 0.00 0.00 0.58 2.07 -1.90 0.30 116.25 117.29 2gri h VAL 35 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2gri h VAL 35 Cb 0.21 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2gri h VAL 35 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2gri n LEU 36 N -2.57 1.20 -0.01 2.57 -0.00 -0.78 -4.02 117.00 113.39 2gri n LEU 36 Ca 0.01 -1.20 -0.00 0.00 -0.00 0.00 0.00 56.01 54.82 2gri n LEU 36 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.65 2gri n LEU 36 CO 0.22 0.30 -0.57 -0.46 -0.00 0.00 0.00 177.39 176.89 2gri n ASN 37 N -0.12 4.33 -0.05 1.45 6.94 -1.05 -4.20 115.26 122.56 2gri n ASN 37 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.48 2gri n ASN 37 Cb 0.07 0.80 -0.04 0.00 -2.36 0.00 0.00 39.78 38.25 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2gri n GLU 38 N -1.89 0.21 -0.15 -3.83 2.13 0.10 -4.24 120.64 112.97 2gri n GLU 38 Ca -0.03 0.07 -0.02 0.00 0.66 0.00 0.00 57.16 57.84 2gri n GLU 38 Cb 0.38 -1.01 0.05 0.00 0.27 0.00 0.00 31.44 31.13 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 -0.18 0.10 -0.50 5.31 1.63 -1.62 -3.40 116.57 117.91 2gri h LYS 39 Ca -0.22 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 2gri h LYS 39 Cb 1.26 -0.02 -0.16 0.00 -0.60 0.00 0.00 32.23 32.70 2gri h LYS 39 CO -0.09 0.06 -0.26 0.00 -3.45 0.00 0.00 179.45 175.72 2gri n SER 41 N 3.20 1.16 -4.79 0.00 2.88 -1.26 -4.76 113.62 110.04 2gri n SER 41 Ca 0.12 -1.08 -0.38 0.00 -1.33 0.00 0.00 58.87 56.20 2gri n SER 41 Cb 0.61 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 2gri n SER 41 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2gri s VAL 42 N -0.20 4.41 0.09 2.46 1.01 -1.26 -2.36 120.40 124.55 2gri s VAL 42 Ca 0.03 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.46 2gri s VAL 42 Cb 0.02 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2gri s VAL 42 CO 0.03 0.33 0.26 -0.31 0.00 0.00 0.00 175.10 175.41 2gri s TYR 43 N -1.38 0.02 -0.10 5.22 2.02 -0.22 -5.01 117.35 117.89 2gri s TYR 43 Ca 0.41 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2gri s TYR 43 Cb -0.20 0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.38 2gri s TYR 43 CO 0.24 -0.58 -0.05 0.99 -1.57 0.00 0.00 175.55 174.58 2gri s THR 44 N -3.64 3.85 -0.19 -0.71 2.01 -1.26 -1.44 115.64 114.26 2gri s THR 44 Ca 0.03 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2gri s THR 44 Cb 0.03 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.93 2gri s THR 44 CO -0.10 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.56 2gri s VAL 45 N -0.37 2.57 0.33 3.82 1.01 -1.14 -4.89 120.40 121.73 2gri s VAL 45 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2gri s VAL 45 Cb -0.12 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.23 2gri s VAL 45 CO 0.02 0.50 0.21 1.21 0.00 0.00 0.00 175.10 177.03 2gri n GLU 46 N 4.65 -2.53 0.09 2.72 2.13 -1.26 -0.07 120.64 126.36 2gri n GLU 46 Ca -0.20 -0.34 -0.19 0.00 0.66 0.00 0.00 57.16 57.09 2gri n GLU 46 Cb 0.50 -0.43 -0.15 0.00 0.27 0.00 0.00 31.44 31.64 2gri n GLU 46 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2gri h SER 47 N -2.26 0.52 -3.67 4.31 0.87 -1.79 -3.41 113.55 108.11 2gri h SER 47 Ca -0.09 -0.65 -0.67 0.00 -1.23 0.00 0.00 61.79 59.14 2gri h SER 47 Cb 0.30 -0.17 -0.38 0.00 -0.44 0.00 0.00 62.40 61.71 2gri h SER 47 CO 0.06 1.53 -0.38 -0.83 -0.53 0.00 0.00 176.83 176.68 2gri s GLY 48 N -4.86 2.79 0.13 5.77 0.00 -1.26 -5.05 107.32 104.85 2gri s GLY 48 Ca -0.09 -3.60 -0.01 0.00 0.00 0.00 0.00 44.72 41.02 2gri s GLY 48 CO 0.88 1.11 0.04 -1.59 0.00 0.00 0.00 173.10 173.54 2gri s THR 49 N -0.88 0.21 0.19 0.90 2.01 -1.26 -5.17 115.64 111.64 2gri s THR 49 Ca 0.22 -1.92 0.08 0.00 0.31 0.00 0.00 61.69 60.39 2gri s THR 49 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2gri s THR 49 CO -0.09 -0.50 -0.02 -1.61 -0.69 0.00 0.00 174.62 171.71 2gri s GLU 50 N -4.02 2.30 0.50 4.92 0.41 -1.26 -5.00 118.70 116.56 2gri s GLU 50 Ca 0.23 -1.20 0.34 0.00 -0.41 0.00 0.00 54.97 53.93 2gri s GLU 50 Cb 0.07 -2.27 1.78 0.00 -1.78 0.00 0.00 34.13 31.93 2gri s GLU 50 CO 0.01 0.43 2.03 0.28 -0.49 0.00 0.00 175.26 177.53 2gri h VAL 51 N 2.42 0.00 0.00 2.63 2.07 -1.97 -0.39 116.25 121.02 2gri h VAL 51 Ca -0.46 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2gri h VAL 51 Cb 1.21 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2gri h VAL 51 CO 0.57 0.00 -1.20 1.07 0.02 0.00 0.00 177.57 178.03 2gri n THR 52 N -2.71 0.87 0.25 2.57 5.66 -1.26 -3.88 114.28 115.78 2gri n THR 52 Ca -0.02 -0.61 0.12 0.00 -3.05 0.00 0.00 64.05 60.49 2gri n THR 52 Cb 0.09 -0.52 0.64 0.00 -1.55 0.00 0.00 70.33 68.99 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 0.00 0.00 1.09 4.57 -1.46 -1.99 114.58 116.79 2gri h GLU 53 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2gri h GLU 53 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2gri h GLU 53 CO 0.02 0.15 -0.43 1.19 -1.18 0.00 0.00 179.01 178.76 2gri n PHE 54 N -3.48 0.64 0.67 0.92 3.72 -1.22 -3.50 117.46 115.20 2gri n PHE 54 Ca -0.01 0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 2gri n PHE 54 Cb 0.31 -0.72 0.46 0.00 -0.94 0.00 0.00 39.48 38.59 2gri n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gri n ALA 55 N -1.80 2.14 0.59 4.37 0.00 -0.75 -1.45 120.51 123.61 2gri n ALA 55 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.52 2gri n ALA 55 Cb 0.43 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.34 0.54 0.52 0.00 3.14 -1.15 -4.45 118.33 116.59 2gri n VAL 57 Ca 0.05 -0.43 0.11 0.00 -2.96 0.00 0.00 64.34 61.11 2gri n VAL 57 Cb 0.27 -0.40 -0.01 0.00 -1.06 0.00 0.00 33.84 32.63 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 -2.27 0.16 1.48 1.55 0.31 -0.53 -3.55 118.33 115.47 2gri n VAL 58 Ca -0.14 -0.26 0.14 0.00 -0.01 0.00 0.00 64.34 64.07 2gri n VAL 58 Cb 0.70 0.23 0.51 0.00 -0.91 0.00 0.00 33.84 34.37 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 -1.86 2.57 -0.04 3.52 0.00 -1.25 -3.64 120.51 119.81 2gri n ALA 59 Ca 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 2gri n ALA 59 Cb 0.45 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 0.20 1.82 -0.00 0.00 0.28 -1.25 -4.38 120.64 117.30 2gri n GLU 60 Ca 0.19 0.02 0.15 0.00 -0.16 0.00 0.00 57.16 57.35 2gri n GLU 60 Cb 0.36 -1.18 0.81 0.00 1.43 0.00 0.00 31.44 32.85 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 -2.46 2.65 -0.11 -1.84 0.00 -1.23 -3.50 120.51 114.03 2gri n ALA 61 Ca -0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 2gri n ALA 61 Cb 0.71 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.71 1.32 0.26 0.00 0.24 -1.24 -4.10 118.33 114.10 2gri n VAL 62 Ca 0.22 -0.65 -0.10 0.00 -2.04 0.00 0.00 64.34 61.77 2gri n VAL 62 Cb 0.16 -0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 31.53 2gri n VAL 62 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2gri h VAL 63 N 0.00 0.00 -0.21 3.34 2.07 -1.76 0.37 116.25 120.06 2gri h VAL 63 Ca -0.52 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.04 2gri h VAL 63 Cb 1.97 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2gri h VAL 63 CO -0.03 0.00 0.26 0.07 0.02 0.00 0.00 177.57 177.89 2gri h LYS 64 N -0.69 0.00 0.00 1.57 2.10 -1.83 0.25 116.57 117.97 2gri h LYS 64 Ca -0.07 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.46 2gri h LYS 64 Cb 0.51 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 2gri h LYS 64 CO 0.11 0.00 -0.82 1.15 -2.00 0.00 0.00 179.45 177.89 2gri h THR 65 N 0.00 0.69 -1.72 0.07 2.02 -1.64 -3.35 112.91 108.99 2gri h THR 65 Ca 0.10 -2.07 -0.65 0.00 0.77 0.00 0.00 66.41 64.56 2gri h THR 65 Cb 0.62 2.25 -0.37 0.00 -1.74 0.00 0.00 68.15 68.91 2gri h THR 65 CO -0.00 0.40 -0.18 0.18 0.37 0.00 0.00 175.52 176.29 2gri n LEU 66 N -3.09 5.55 -1.78 2.58 7.99 0.13 -4.68 117.00 123.70 2gri n LEU 66 Ca -0.02 -5.15 -0.08 0.00 -0.01 0.00 0.00 56.01 50.75 2gri n LEU 66 Cb 0.76 -0.66 0.07 0.00 -0.11 0.00 0.00 43.42 43.49 2gri n LEU 66 CO 0.41 2.11 0.17 0.00 -1.51 0.00 0.00 177.39 178.57 2gri n GLN 67 N -0.47 2.22 -0.03 3.23 1.13 -1.06 -4.84 117.38 117.56 2gri n GLN 67 Ca 0.43 -3.52 -0.13 0.00 -1.94 0.00 0.00 57.00 51.84 2gri n GLN 67 Cb 0.51 -1.66 -0.09 0.00 0.11 0.00 0.00 30.24 29.11 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2gri h PRO 68 N 1.83 0.15 -0.56 -1.09 0.13 -1.89 -3.41 132.00 127.15 2gri h PRO 68 Ca 0.09 -0.08 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 2gri h PRO 68 Cb 1.40 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.32 2gri h PRO 68 CO 0.36 0.59 -0.66 1.33 -0.23 0.00 0.00 178.00 179.39 2gri n VAL 69 N -4.73 -0.15 0.53 1.56 0.24 -1.26 -4.96 118.33 109.57 2gri n VAL 69 Ca -0.07 -2.26 0.08 0.00 -2.04 0.00 0.00 64.34 60.05 2gri n VAL 69 Cb 0.30 0.68 0.35 0.00 -1.47 0.00 0.00 33.84 33.70 2gri n VAL 69 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2gri n SER 70 N 1.18 0.07 0.09 -1.34 3.41 -1.26 -2.49 113.62 113.28 2gri n SER 70 Ca 0.12 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.34 2gri n SER 70 Cb 0.63 -0.53 0.41 0.00 -0.26 0.00 0.00 64.21 64.46 2gri n SER 70 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gri n ASP 71 N -1.58 0.41 -0.18 4.04 8.00 -1.26 -1.72 116.55 124.26 2gri n ASP 71 Ca 0.04 0.62 0.06 0.00 0.71 0.00 0.00 54.79 56.21 2gri n ASP 71 Cb 0.19 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.57 2gri n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gri n LEU 72 N -1.97 1.08 0.02 0.64 -0.00 -1.04 -4.43 117.00 111.30 2gri n LEU 72 Ca 0.02 -0.67 0.09 0.00 -0.00 0.00 0.00 56.01 55.45 2gri n LEU 72 Cb 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.46 2gri n LEU 72 CO 0.15 0.22 -0.56 0.18 -0.00 0.00 0.00 177.39 177.38 2gri n LEU 73 N -0.59 0.26 -0.09 1.47 4.77 -0.70 -4.05 117.00 118.07 2gri n LEU 73 Ca 0.04 0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 2gri n LEU 73 Cb 0.23 0.02 0.85 0.00 -2.33 0.00 0.00 43.42 42.20 2gri n LEU 73 CO 0.19 -0.01 1.05 0.41 -1.33 0.00 0.00 177.39 177.70 2gri n THR 74 N -2.44 0.00 0.42 -5.08 -1.04 -0.91 -0.39 114.28 104.85 2gri n THR 74 Ca -0.05 -0.05 0.06 0.00 -2.04 0.00 0.00 64.05 61.97 2gri n THR 74 Cb 0.62 -0.31 0.05 0.00 -1.82 0.00 0.00 70.33 68.88 2gri n THR 74 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2gri n ASN 75 N -0.77 2.00 -0.01 8.00 6.94 -1.26 -4.52 115.26 125.64 2gri n ASN 75 Ca 0.23 -1.50 -0.00 0.00 -0.02 0.00 0.00 54.58 53.28 2gri n ASN 75 Cb 0.15 -0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.53 2gri n ASN 75 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2gri n MET 76 N 0.62 2.19 0.00 -3.83 0.00 -1.16 -5.01 117.12 109.93 2gri n MET 76 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.76 2gri n MET 76 Cb 0.29 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.43 2gri n MET 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gri n GLY 77 N 2.61 0.11 3.29 3.17 0.00 -1.10 -5.10 105.19 108.18 2gri n GLY 77 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.08 4.42 -0.08 -0.61 1.01 0.48 -5.01 121.20 120.33 2gri s ILE 78 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 2gri s ILE 78 Cb 0.00 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2gri s ILE 78 CO 0.00 -0.52 0.36 -0.62 0.00 0.00 0.00 174.94 174.15 2gri s ASP 79 N 2.21 6.63 -0.09 3.58 -1.08 -1.26 -3.07 116.67 123.60 2gri s ASP 79 Ca 0.03 0.75 0.05 0.00 -0.52 0.00 0.00 52.55 52.86 2gri s ASP 79 Cb -0.23 -2.22 -0.24 0.00 -1.46 0.00 0.00 42.92 38.77 2gri s ASP 79 CO 0.03 0.21 0.49 -0.11 0.52 0.00 0.00 175.17 176.31 2gri n LEU 80 N 2.69 1.57 0.27 -1.34 -0.00 -1.26 -3.92 117.00 115.01 2gri n LEU 80 Ca -0.13 0.30 0.15 0.00 -0.00 0.00 0.00 56.01 56.34 2gri n LEU 80 Cb 0.52 -0.34 0.73 0.00 -0.00 0.00 0.00 43.42 44.34 2gri n LEU 80 CO 0.38 0.59 0.98 0.44 -0.00 0.00 0.00 177.39 179.78 2gri h ASP 81 N 0.03 0.00 0.91 1.96 5.19 -1.98 -2.46 116.42 120.07 2gri h ASP 81 Ca -0.36 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.84 2gri h ASP 81 Cb 2.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.52 2gri h ASP 81 CO 0.08 0.08 -0.98 1.05 -3.12 0.00 0.00 179.24 176.35 2gri h GLU 82 N 0.00 0.03 -0.98 3.56 4.11 -1.93 -3.28 114.58 116.09 2gri h GLU 82 Ca -0.00 -0.05 0.17 0.00 0.07 0.00 0.00 59.36 59.55 2gri h GLU 82 Cb 0.43 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2gri h GLU 82 CO 0.01 0.98 0.58 -1.49 0.07 0.00 0.00 179.01 179.16 2gri h TRP 83 N 0.01 1.03 -0.13 2.06 4.06 -1.56 0.28 115.95 121.71 2gri h TRP 83 Ca -0.02 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.81 2gri h TRP 83 Cb 1.71 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 29.55 2gri h TRP 83 CO 0.01 0.26 -0.56 0.66 -3.56 0.00 0.00 178.44 175.24 2gri h SER 84 N 0.77 0.45 -0.89 -3.49 4.64 -1.68 -3.16 113.55 110.20 2gri h SER 84 Ca 0.55 -0.24 -0.61 0.00 -0.47 0.00 0.00 61.79 61.01 2gri h SER 84 Cb 0.80 -0.13 -0.34 0.00 -0.31 0.00 0.00 62.40 62.43 2gri h SER 84 CO -0.36 0.92 0.22 1.33 -0.87 0.00 0.00 176.83 178.06 2gri n VAL 85 N -3.93 3.19 -4.65 0.95 0.24 0.21 -4.99 118.33 109.35 2gri n VAL 85 Ca -0.03 -3.38 -0.29 0.00 -2.04 0.00 0.00 64.34 58.61 2gri n VAL 85 Cb 0.60 -1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 31.77 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 -3.71 3.40 -0.44 2.33 0.00 0.74 -4.95 121.76 119.13 2gri s ALA 86 Ca 0.59 -1.56 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2gri s ALA 86 Cb 0.47 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.82 2gri s ALA 86 CO 0.01 -0.12 0.51 0.99 0.00 0.00 0.00 175.76 177.15 2gri s THR 87 N -2.85 5.01 -0.19 0.00 2.01 -1.26 -5.02 115.64 113.33 2gri s THR 87 Ca 0.24 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.79 2gri s THR 87 Cb 0.07 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2gri s THR 87 CO 0.12 -0.52 0.43 -0.36 -0.69 0.00 0.00 174.62 173.61 2gri s PHE 88 N 2.34 3.39 0.17 4.92 0.40 -1.26 -4.69 117.98 123.25 2gri s PHE 88 Ca 0.15 0.68 0.10 0.00 -0.60 0.00 0.00 56.93 57.25 2gri s PHE 88 Cb -0.17 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 2gri s PHE 88 CO 0.14 -0.01 -0.16 0.71 0.70 0.00 0.00 175.22 176.60 2gri s TYR 89 N 1.31 2.50 0.01 0.36 2.02 -0.98 -4.86 117.35 117.71 2gri s TYR 89 Ca 0.21 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2gri s TYR 89 Cb -0.15 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 2gri s TYR 89 CO 0.08 0.48 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.96 2gri s LEU 90 N -2.64 2.08 0.00 -1.29 1.02 -1.26 -1.33 118.68 115.26 2gri s LEU 90 Ca 0.22 -0.25 0.06 0.00 0.02 0.00 0.00 54.13 54.18 2gri s LEU 90 Cb -0.09 -0.32 -0.02 0.00 0.02 0.00 0.00 46.19 45.78 2gri s LEU 90 CO 0.12 0.01 0.21 0.49 0.02 0.00 0.00 176.35 177.21 2gri n PHE 91 N 2.48 -0.41 -3.86 0.29 3.72 0.75 -4.55 117.46 115.89 2gri n PHE 91 Ca -0.16 -2.51 0.00 0.00 -0.05 0.00 0.00 57.45 54.73 2gri n PHE 91 Cb 0.57 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 2gri n PHE 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gri n ASP 92 N -1.71 1.55 0.13 4.37 2.03 0.10 -1.20 116.55 121.81 2gri n ASP 92 Ca 0.02 -0.86 0.13 0.00 0.52 0.00 0.00 54.79 54.61 2gri n ASP 92 Cb 0.56 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.30 2gri n ASP 92 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2gri h ASP 93 N 0.00 0.00 -0.17 1.67 1.82 -1.87 -3.10 116.42 114.77 2gri h ASP 93 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2gri h ASP 93 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2gri h ASP 93 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 2gri n ALA 94 N -1.86 2.47 -2.04 -0.78 0.00 -1.26 -4.94 120.51 112.09 2gri n ALA 94 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 2gri n ALA 94 Cb 0.45 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.36 0.29 3.31 0.00 0.00 -1.17 -5.05 105.19 103.93 2gri n GLY 95 Ca 0.17 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.11 1.24 -1.18 1.61 -1.05 -1.26 -4.86 118.70 109.08 2gri s GLU 96 Ca 0.00 -1.56 -0.20 0.00 -0.15 0.00 0.00 54.97 53.06 2gri s GLU 96 Cb -0.00 -0.86 0.06 0.00 -0.44 0.00 0.00 34.13 32.89 2gri s GLU 96 CO 0.00 0.09 1.62 -1.21 0.95 0.00 0.00 175.26 176.71 2gri s GLU 97 N -3.72 3.81 0.29 -4.83 2.02 -1.26 -0.72 118.70 114.28 2gri s GLU 97 Ca 0.21 -1.62 0.08 0.00 0.02 0.00 0.00 54.97 53.66 2gri s GLU 97 Cb 0.02 -5.46 -0.06 0.00 0.10 0.00 0.00 34.13 28.73 2gri s GLU 97 CO 0.05 -2.25 -0.08 -0.80 0.02 0.00 0.00 175.26 172.20 2gri s ASN 98 N 4.57 3.01 -0.56 -0.19 0.01 -1.26 -4.91 114.94 115.60 2gri s ASN 98 Ca 0.51 -1.17 0.05 0.00 -0.71 0.00 0.00 52.86 51.53 2gri s ASN 98 Cb 0.02 -0.21 0.35 0.00 0.41 0.00 0.00 41.25 41.82 2gri s ASN 98 CO 0.00 -0.28 0.97 2.22 -1.51 0.00 0.00 177.10 178.50 2gri n PHE 99 N -0.62 3.99 -0.97 2.20 -1.74 -1.26 -4.61 117.46 114.45 2gri n PHE 99 Ca -0.05 -3.90 0.00 0.00 -0.56 0.00 0.00 57.45 52.94 2gri n PHE 99 Cb 0.63 -0.44 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 -0.28 -0.01 -0.25 5.98 2.88 -1.26 -4.90 113.62 115.78 2gri n SER 100 Ca 0.32 -0.97 0.21 0.00 -1.33 0.00 0.00 58.87 57.10 2gri n SER 100 Cb 0.42 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.01 0.36 -4.10 -3.46 0.02 -1.98 -3.41 113.55 100.96 2gri h SER 101 Ca 0.00 0.04 -0.64 0.00 -0.84 0.00 0.00 61.79 60.36 2gri h SER 101 Cb 0.00 -0.02 -0.23 0.00 0.14 0.00 0.00 62.40 62.29 2gri h SER 101 CO 0.00 0.13 -0.85 -0.60 -1.14 0.00 0.00 176.83 174.36 2gri s ARG 102 N -5.37 1.37 -0.01 3.45 3.52 -1.26 -2.65 118.95 118.00 2gri s ARG 102 Ca -0.08 -1.20 -0.01 0.00 -0.13 0.00 0.00 55.73 54.31 2gri s ARG 102 Cb 0.23 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.92 2gri s ARG 102 CO 0.78 0.41 0.02 -1.64 -0.81 0.00 0.00 175.30 174.07 2gri s MET 103 N -1.78 0.03 -0.31 5.12 -1.94 0.15 -4.82 119.30 115.76 2gri s MET 103 Ca 0.10 0.01 -0.09 0.00 -1.71 0.00 0.00 55.69 54.01 2gri s MET 103 Cb -0.10 0.02 -0.00 0.00 2.01 0.00 0.00 34.83 36.76 2gri s MET 103 CO 0.04 -0.00 0.14 0.71 -0.01 0.00 0.00 175.02 175.90 2gri s TYR 104 N -0.03 3.18 -0.72 -0.03 2.02 -0.34 -2.82 117.35 118.60 2gri s TYR 104 Ca -0.00 -0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 55.79 2gri s TYR 104 Cb -0.00 -2.34 0.06 0.00 -0.40 0.00 0.00 41.96 39.28 2gri s TYR 104 CO 0.00 -0.49 1.08 0.00 -1.57 0.00 0.00 175.55 174.57 2gri s SER 106 N 3.77 6.40 -0.54 0.00 1.04 -0.44 -3.87 113.70 120.06 2gri s SER 106 Ca 0.28 0.42 -0.00 0.00 0.48 0.00 0.00 55.95 57.12 2gri s SER 106 Cb -0.13 -2.02 0.45 0.00 0.10 0.00 0.00 66.02 64.42 2gri s SER 106 CO 0.08 -0.01 1.98 0.33 0.98 0.00 0.00 173.24 176.60 2gri n PHE 107 N -0.47 2.82 -3.48 5.02 -0.00 -1.26 -2.32 117.46 117.76 2gri n PHE 107 Ca -0.04 -2.52 -0.15 0.00 -0.00 0.00 0.00 57.45 54.74 2gri n PHE 107 Cb 0.53 -1.23 -0.04 0.00 -0.00 0.00 0.00 39.48 38.74 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 -3.26 -0.57 0.96 -5.13 1.13 -1.26 -5.01 117.35 104.20 2gri s TYR 108 Ca 0.56 0.69 -0.12 0.00 -1.41 0.00 0.00 57.07 56.78 2gri s TYR 108 Cb 0.44 0.47 0.16 0.00 -1.10 0.00 0.00 41.96 41.93 2gri s TYR 108 CO 0.02 -0.72 1.09 -1.25 -2.51 0.00 0.00 175.55 172.18 2gri s PRO 109 N -2.48 0.76 0.01 -3.49 0.04 -1.26 -4.73 135.00 123.85 2gri s PRO 109 Ca -0.05 0.64 -0.23 0.00 0.04 0.00 0.00 61.00 61.40 2gri s PRO 109 Cb -0.01 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.59 2gri s PRO 109 CO -0.02 -2.53 1.30 -1.00 0.04 0.00 0.00 177.00 174.79 2gri h PRO 110 N -1.75 0.16 0.00 0.56 0.13 -2.00 -3.47 132.00 125.62 2gri h PRO 110 Ca -0.52 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.60 0.00 -0.25 -0.23 0.00 0.00 178.00 178.68 2gri n ASP 111 N -4.72 0.00 0.00 1.44 8.00 -1.26 -5.19 116.55 114.82 2gri n ASP 111 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2gri n ASP 111 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2gri n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19