#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 -2.75 0.00 -0.04 -1.26 -4.93 135.00 127.49 2gri n PRO 2 Ca 0.00 -2.04 -0.29 0.00 -0.04 0.00 0.00 63.50 61.13 2gri n PRO 2 Cb 0.00 -3.20 -0.02 0.00 -0.04 0.00 0.00 33.50 30.25 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 7.31 4.84 -0.66 0.52 1.01 -1.26 -4.76 121.20 128.20 2gri s ILE 3 Ca 0.62 0.44 -0.31 0.00 0.00 0.00 0.00 60.65 61.40 2gri s ILE 3 Cb 0.09 -3.79 -0.15 0.00 0.01 0.00 0.00 42.46 38.62 2gri s ILE 3 CO 0.14 -0.66 2.46 1.17 0.00 0.00 0.00 174.94 178.04 2gri n LYS 4 N -1.71 0.58 0.00 2.79 0.00 -1.22 -4.50 118.16 114.09 2gri n LYS 4 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.39 2gri n LYS 4 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 33.24 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gri n GLY 5 N 6.42 0.51 2.81 3.14 0.00 -1.26 -3.21 105.19 113.60 2gri n GLY 5 Ca 0.50 0.73 -0.30 0.00 0.00 0.00 0.00 46.02 46.96 2gri n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gri s VAL 6 N 0.00 1.74 0.15 1.61 0.11 -1.26 -5.09 120.40 117.66 2gri s VAL 6 Ca 0.00 -2.61 -0.10 0.00 -2.93 0.00 0.00 61.98 56.33 2gri s VAL 6 Cb 0.00 -2.23 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 2gri s VAL 6 CO 0.00 -0.82 0.30 -0.89 -3.33 0.00 0.00 175.10 170.36 2gri s THR 7 N 0.37 0.08 -0.27 5.04 2.01 -1.20 -5.18 115.64 116.50 2gri s THR 7 Ca 0.16 -1.22 -0.27 0.00 0.31 0.00 0.00 61.69 60.67 2gri s THR 7 Cb -0.24 -1.65 0.17 0.00 0.01 0.00 0.00 72.50 70.79 2gri s THR 7 CO -0.03 -0.36 1.26 0.72 -0.69 0.00 0.00 174.62 175.51 2gri s PHE 8 N -3.92 -0.19 -1.07 4.92 -0.71 -1.26 -4.86 117.98 110.88 2gri s PHE 8 Ca 0.12 0.41 -0.15 0.00 -1.04 0.00 0.00 56.93 56.27 2gri s PHE 8 Cb 0.03 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 2gri s PHE 8 CO -0.04 -0.13 0.81 0.41 -1.34 0.00 0.00 175.22 174.93 2gri n GLY 9 N 1.27 -1.07 0.28 1.99 0.00 -1.26 -4.95 105.19 101.44 2gri n GLY 9 Ca -0.08 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.73 0.45 0.15 1.61 -0.58 -1.26 -5.05 120.64 112.23 2gri n GLU 10 Ca -0.09 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2gri n GLU 10 Cb 0.59 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 -4.19 -2.22 -3.68 1.62 -0.08 -1.26 -5.18 116.55 101.57 2gri n ASP 11 Ca -0.24 0.58 0.02 0.00 -1.51 0.00 0.00 54.79 53.64 2gri n ASP 11 Cb 0.57 2.21 0.00 0.00 2.34 0.00 0.00 41.12 46.24 2gri n ASP 11 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2gri s THR 12 N -1.70 0.00 0.53 5.18 -1.32 -1.26 -5.12 115.64 111.95 2gri s THR 12 Ca 0.00 -0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.23 2gri s THR 12 Cb 0.00 -2.36 -0.00 0.00 -1.51 0.00 0.00 72.50 68.63 2gri s THR 12 CO 0.00 0.00 0.82 -0.69 -2.21 0.00 0.00 174.62 172.54 2gri s VAL 13 N -2.27 3.90 -1.55 5.08 1.01 -1.26 -3.39 120.40 121.92 2gri s VAL 13 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2gri s VAL 13 Cb 0.03 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2gri s VAL 13 CO -0.03 -0.47 0.00 0.79 0.00 0.00 0.00 175.10 175.40 2gri n TRP 14 N -2.39 0.00 0.00 5.22 7.02 -1.26 -4.63 117.44 121.40 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 0.57 -2.90 0.00 0.00 -2.42 0.00 0.00 31.31 26.56 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 -1.69 0.07 0.00 -0.99 -0.58 -1.26 -4.95 120.64 111.23 2gri n GLU 15 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2gri n GLU 15 Cb 0.59 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 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 -0.27 2.62 0.31 -1.22 -4.77 118.33 113.65 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 -0.56 0.21 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 0.36 -0.60 5.55 4.15 -1.91 -3.43 115.11 119.23 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 0.74 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2gri h GLN 17 CO 0.00 0.24 0.00 0.41 -1.93 0.00 0.00 178.83 177.55 2gri n GLY 18 N -1.34 0.87 3.41 2.39 0.00 -1.26 -3.46 105.19 105.80 2gri n GLY 18 Ca 0.16 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.60 -0.07 0.23 1.61 2.02 -1.26 -2.85 117.35 114.43 2gri s TYR 19 Ca 0.00 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 2gri s TYR 19 Cb 0.00 0.27 -0.02 0.00 -0.40 0.00 0.00 41.96 41.81 2gri s TYR 19 CO 0.00 -0.80 0.15 1.63 -1.57 0.00 0.00 175.55 174.96 2gri n LYS 20 N -0.27 0.42 -3.63 -0.62 4.01 -0.22 -4.37 118.16 113.48 2gri n LYS 20 Ca -0.12 -2.19 -0.27 0.00 -0.51 0.00 0.00 58.31 55.22 2gri n LYS 20 Cb 0.63 1.58 -0.16 0.00 -0.51 0.00 0.00 35.03 36.56 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 -2.55 2.77 0.18 4.39 0.01 -1.26 -3.14 114.94 115.34 2gri s ASN 21 Ca 0.21 -0.83 0.11 0.00 -0.71 0.00 0.00 52.86 51.64 2gri s ASN 21 Cb 0.01 -0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.26 2gri s ASN 21 CO 0.15 -0.36 -0.23 0.54 -1.51 0.00 0.00 177.10 175.70 2gri s VAL 22 N 2.05 2.46 -0.05 1.60 0.11 -0.99 -5.00 120.40 120.58 2gri s VAL 22 Ca 0.03 -1.92 0.05 0.00 -2.93 0.00 0.00 61.98 57.21 2gri s VAL 22 Cb -0.16 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.51 2gri s VAL 22 CO -0.15 -0.07 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.21 2gri s ARG 23 N -2.56 2.08 -0.25 1.54 0.52 -1.26 -1.13 118.95 117.89 2gri s ARG 23 Ca 0.20 -0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2gri s ARG 23 Cb -0.08 -1.80 -0.05 0.00 0.52 0.00 0.00 34.95 33.54 2gri s ARG 23 CO 0.10 0.31 0.16 0.42 0.02 0.00 0.00 175.30 176.31 2gri s ILE 24 N -0.08 5.27 -0.46 1.52 -1.09 0.84 -3.47 121.20 123.74 2gri s ILE 24 Ca -0.03 0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.60 2gri s ILE 24 Cb -0.12 -3.47 0.19 0.00 -1.58 0.00 0.00 42.46 37.48 2gri s ILE 24 CO 0.03 0.33 0.74 -0.89 -1.23 0.00 0.00 174.94 173.92 2gri s THR 25 N 1.20 -0.89 0.00 2.92 2.01 -1.26 -4.79 115.64 114.83 2gri s THR 25 Ca 0.07 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.55 2gri s THR 25 Cb -0.14 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.37 2gri s THR 25 CO 0.06 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.32 2gri n PHE 26 N 3.48 0.00 -3.65 4.92 7.35 -1.26 -4.91 117.46 123.40 2gri n PHE 26 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 2gri n PHE 26 Cb 0.57 0.01 -0.06 0.00 0.35 0.00 0.00 39.48 40.35 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 -0.31 0.16 0.00 -4.13 -1.05 -1.26 -5.02 118.70 107.09 2gri s GLU 27 Ca 0.00 0.27 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 2gri s GLU 27 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 2gri s GLU 27 CO 0.00 -0.03 0.00 1.28 0.95 0.00 0.00 175.26 177.46 2gri n LEU 28 N 3.09 0.00 -4.19 1.83 4.77 -1.26 -4.83 117.00 116.42 2gri n LEU 28 Ca -0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2gri n LEU 28 Cb 0.57 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2gri n LEU 28 CO 0.05 -0.13 -0.33 -1.81 -1.33 0.00 0.00 177.39 173.84 2gri s ASP 29 N -2.36 0.85 -0.01 -1.43 1.01 -1.26 -5.05 116.67 108.42 2gri s ASP 29 Ca 0.00 -1.14 0.07 0.00 0.71 0.00 0.00 52.55 52.19 2gri s ASP 29 Cb 0.00 0.18 -0.11 0.00 1.01 0.00 0.00 42.92 43.99 2gri s ASP 29 CO 0.00 -0.60 0.16 -1.84 0.21 0.00 0.00 175.17 173.09 2gri n GLU 30 N -0.13 0.31 -0.04 8.23 0.28 -1.26 -3.99 120.64 124.04 2gri n GLU 30 Ca -0.08 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 2gri n GLU 30 Cb 0.63 -1.18 -0.12 0.00 1.43 0.00 0.00 31.44 32.20 2gri n GLU 30 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2gri n ARG 31 N -1.78 1.03 -2.40 3.44 3.00 -1.26 -4.60 116.66 114.10 2gri n ARG 31 Ca -0.02 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.85 57.64 2gri n ARG 31 Cb 0.21 -1.38 0.04 0.00 0.00 0.00 0.00 32.46 31.33 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 -2.30 1.89 0.09 5.15 0.24 -1.26 -4.81 118.33 117.33 2gri n VAL 32 Ca -0.14 -3.55 -0.07 0.00 -2.04 0.00 0.00 64.34 58.55 2gri n VAL 32 Cb 0.70 0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.13 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 2.37 0.12 1.36 -1.34 1.82 -1.81 -3.11 116.42 115.82 2gri h ASP 33 Ca 0.11 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2gri h ASP 33 Cb 1.41 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2gri h ASP 33 CO 0.46 0.95 0.00 0.07 -1.61 0.00 0.00 179.24 179.11 2gri h LYS 34 N 0.05 0.00 0.00 0.28 -0.00 -1.90 -2.96 116.57 112.03 2gri h LYS 34 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 2gri h LYS 34 Cb 1.55 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.78 2gri h LYS 34 CO 0.13 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 179.86 2gri n VAL 35 N -2.41 0.06 -0.02 0.07 0.31 -1.17 -1.93 118.33 113.23 2gri n VAL 35 Ca 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2gri n VAL 35 Cb 0.39 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 2gri n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri n LEU 36 N -1.27 0.98 -0.00 7.52 -0.00 -1.12 -4.11 117.00 118.99 2gri n LEU 36 Ca 0.14 -0.98 0.02 0.00 -0.00 0.00 0.00 56.01 55.19 2gri n LEU 36 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.61 2gri n LEU 36 CO 0.22 0.24 -0.34 -0.46 -0.00 0.00 0.00 177.39 177.05 2gri n ASN 37 N -0.01 2.45 -0.04 1.45 6.94 -1.16 -3.94 115.26 120.94 2gri n ASN 37 Ca 0.00 -0.24 -0.10 0.00 -0.02 0.00 0.00 54.58 54.22 2gri n ASN 37 Cb 0.00 1.13 -0.03 0.00 -2.36 0.00 0.00 39.78 38.52 2gri n ASN 37 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2gri n GLU 38 N -1.45 0.22 -0.22 -3.83 -0.58 -0.81 -4.39 120.64 109.58 2gri n GLU 38 Ca -0.00 0.09 0.02 0.00 -0.42 0.00 0.00 57.16 56.86 2gri n GLU 38 Cb 0.10 -0.87 0.13 0.00 -0.57 0.00 0.00 31.44 30.24 2gri n GLU 38 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2gri h LYS 39 N -0.38 0.21 -0.08 3.49 1.79 -1.71 -3.41 116.57 116.47 2gri h LYS 39 Ca -0.22 -0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.43 2gri h LYS 39 Cb 1.07 -0.05 -0.17 0.00 -1.58 0.00 0.00 32.23 31.50 2gri h LYS 39 CO -0.13 0.14 -0.02 0.00 -1.08 0.00 0.00 179.45 178.35 2gri n SER 41 N 3.99 1.58 -4.87 0.00 2.88 -1.25 -4.76 113.62 111.18 2gri n SER 41 Ca 0.06 -1.29 -0.36 0.00 -1.33 0.00 0.00 58.87 55.95 2gri n SER 41 Cb 0.63 0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 64.30 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 -1.27 5.43 -0.05 2.46 0.11 -1.26 -0.11 120.40 125.71 2gri s VAL 42 Ca 0.11 0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 59.21 2gri s VAL 42 Cb 0.09 -3.38 0.02 0.00 -1.53 0.00 0.00 36.38 31.58 2gri s VAL 42 CO 0.23 0.59 0.24 -0.31 -3.33 0.00 0.00 175.10 172.51 2gri s TYR 43 N -1.05 -0.17 0.31 1.54 1.51 -0.28 -5.01 117.35 114.20 2gri s TYR 43 Ca 0.16 0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 56.44 2gri s TYR 43 Cb -0.12 0.06 -0.09 0.00 -0.11 0.00 0.00 41.96 41.70 2gri s TYR 43 CO 0.05 -0.24 0.71 0.99 -1.11 0.00 0.00 175.55 175.96 2gri s THR 44 N -0.63 4.72 -0.06 -0.71 2.01 -1.26 -2.35 115.64 117.36 2gri s THR 44 Ca -0.07 0.87 -0.02 0.00 0.31 0.00 0.00 61.69 62.77 2gri s THR 44 Cb -0.04 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.89 2gri s THR 44 CO 0.02 -0.19 0.10 0.54 -0.69 0.00 0.00 174.62 174.40 2gri s VAL 45 N -1.98 -0.17 0.00 3.82 0.11 -1.19 -4.96 120.40 116.04 2gri s VAL 45 Ca 0.53 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.96 2gri s VAL 45 Cb -0.10 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 2gri s VAL 45 CO 0.18 0.16 0.00 1.21 -3.33 0.00 0.00 175.10 173.32 2gri n GLU 46 N 5.22 -1.82 -0.02 1.54 0.00 -1.26 -1.06 120.64 123.24 2gri n GLU 46 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.19 2gri n GLU 46 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.79 2gri n GLU 46 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2gri n SER 47 N -2.92 0.44 -0.75 4.31 3.41 -1.13 -4.36 113.62 112.62 2gri n SER 47 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2gri n SER 47 Cb 0.00 1.83 0.18 0.00 -0.26 0.00 0.00 64.21 65.96 2gri n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gri n GLY 48 N 1.41 2.85 3.67 5.00 0.00 -1.26 -5.02 105.19 111.84 2gri n GLY 48 Ca -0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 2gri n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gri s THR 49 N -1.17 2.08 0.20 2.61 2.01 -1.26 -5.07 115.64 115.04 2gri s THR 49 Ca 0.28 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.41 2gri s THR 49 Cb 0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2gri s THR 49 CO 0.17 -0.03 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.30 2gri s GLU 50 N -4.96 1.83 0.47 4.92 0.41 -1.26 -5.00 118.70 115.11 2gri s GLU 50 Ca 0.65 -1.42 0.32 0.00 -0.41 0.00 0.00 54.97 54.11 2gri s GLU 50 Cb -0.19 -2.00 1.66 0.00 -1.78 0.00 0.00 34.13 31.82 2gri s GLU 50 CO 0.58 0.41 1.97 0.28 -0.49 0.00 0.00 175.26 178.00 2gri h VAL 51 N 2.82 0.00 0.00 2.63 2.07 -1.97 -0.67 116.25 121.13 2gri h VAL 51 Ca -0.46 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 2gri h VAL 51 Cb 1.21 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2gri h VAL 51 CO 0.53 0.00 -1.24 0.00 0.02 0.00 0.00 177.57 176.87 2gri h THR 52 N 0.00 0.31 0.00 2.57 1.03 -1.97 -3.34 112.91 111.51 2gri h THR 52 Ca 0.00 -1.61 -0.06 0.00 -0.01 0.00 0.00 66.41 64.73 2gri h THR 52 Cb 0.09 1.83 -0.01 0.00 -1.07 0.00 0.00 68.15 68.99 2gri h THR 52 CO 0.00 0.18 -0.27 -0.08 -0.01 0.00 0.00 175.52 175.34 2gri h GLU 53 N 0.00 0.00 0.00 0.00 4.57 -1.51 -2.08 114.58 115.55 2gri h GLU 53 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2gri h GLU 53 Cb 1.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2gri h GLU 53 CO 0.03 0.27 -0.14 0.74 -1.18 0.00 0.00 179.01 178.73 2gri h PHE 54 N 0.00 0.00 -0.00 0.92 0.04 -1.67 -3.15 116.94 113.08 2gri h PHE 54 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2gri h PHE 54 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 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 -1.84 2.67 -0.31 2.45 0.00 -0.78 -2.94 120.51 119.75 2gri n ALA 55 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2gri n ALA 55 Cb 0.45 -1.47 0.00 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 -0.29 0.07 -0.02 0.00 3.14 -1.18 -4.64 118.33 115.41 2gri n VAL 57 Ca 0.00 -0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.30 2gri n VAL 57 Cb 0.29 -0.06 -0.14 0.00 -1.06 0.00 0.00 33.84 32.87 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 -1.79 0.81 0.19 1.55 0.31 -1.15 -3.49 118.33 114.77 2gri n VAL 58 Ca -0.02 -0.67 0.04 0.00 -0.01 0.00 0.00 64.34 63.67 2gri n VAL 58 Cb 0.27 -0.36 0.39 0.00 -0.91 0.00 0.00 33.84 33.22 2gri n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri h ALA 59 N 1.51 1.38 0.00 3.52 0.00 -1.81 -2.61 119.26 121.24 2gri h ALA 59 Ca -0.23 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2gri h ALA 59 Cb 1.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2gri h ALA 59 CO 0.02 0.43 -1.53 -0.85 0.00 0.00 0.00 179.25 177.32 2gri n GLU 60 N -4.05 0.63 -0.00 0.00 -0.00 -1.26 -3.53 120.64 112.43 2gri n GLU 60 Ca -0.02 0.11 0.15 0.00 -0.00 0.00 0.00 57.16 57.40 2gri n GLU 60 Cb 0.39 -1.73 0.80 0.00 -0.00 0.00 0.00 31.44 30.89 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 -2.37 2.65 -0.06 -1.84 0.00 -1.09 -3.66 120.51 114.15 2gri n ALA 61 Ca -0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 2gri n ALA 61 Cb 0.77 -1.41 -0.07 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 -0.69 0.73 0.00 0.00 0.24 -1.00 -4.29 118.33 113.32 2gri n VAL 62 Ca 0.22 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2gri n VAL 62 Cb 0.16 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 -2.74 0.00 -0.34 3.34 0.31 -1.23 -0.07 118.33 117.60 2gri n VAL 63 Ca -0.21 1.30 0.12 0.00 -0.01 0.00 0.00 64.34 65.54 2gri n VAL 63 Cb 0.77 -2.18 0.32 0.00 -0.91 0.00 0.00 33.84 31.84 2gri n VAL 63 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2gri h LYS 64 N 0.00 0.77 0.00 5.55 2.10 -1.87 0.29 116.57 123.41 2gri h LYS 64 Ca 0.00 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2gri h LYS 64 Cb 0.00 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.15 2gri h LYS 64 CO 0.00 0.51 -0.12 1.15 -2.00 0.00 0.00 179.45 178.99 2gri h THR 65 N 0.79 0.75 -2.26 0.07 2.02 -1.71 -3.12 112.91 109.45 2gri h THR 65 Ca 0.53 -0.46 -0.58 0.00 0.77 0.00 0.00 66.41 66.67 2gri h THR 65 Cb 0.79 1.28 -0.42 0.00 -1.74 0.00 0.00 68.15 68.05 2gri h THR 65 CO -0.31 0.12 -0.70 0.18 0.37 0.00 0.00 175.52 175.18 2gri n LEU 66 N -3.92 4.08 -1.83 2.58 4.32 0.10 -4.80 117.00 117.54 2gri n LEU 66 Ca -0.02 -5.61 -0.09 0.00 -0.02 0.00 0.00 56.01 50.27 2gri n LEU 66 Cb 0.21 -0.42 0.07 0.00 -1.62 0.00 0.00 43.42 41.66 2gri n LEU 66 CO 0.32 2.35 0.16 0.00 -1.22 0.00 0.00 177.39 179.00 2gri n GLN 67 N -0.18 2.32 -0.03 3.23 6.02 -1.07 -4.84 117.38 122.84 2gri n GLN 67 Ca 0.30 -3.58 -0.13 0.00 -0.01 0.00 0.00 57.00 53.58 2gri n GLN 67 Cb 0.42 -1.72 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2gri h PRO 68 N 1.88 0.12 -0.66 -1.09 0.13 -1.87 -3.41 132.00 127.10 2gri h PRO 68 Ca 0.10 -0.06 -0.33 0.00 -0.87 0.00 0.00 66.00 64.84 2gri h PRO 68 Cb 1.40 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.31 2gri h PRO 68 CO 0.38 0.57 -0.69 1.33 -0.23 0.00 0.00 178.00 179.36 2gri n VAL 69 N -4.76 -0.17 0.22 1.56 0.24 -1.26 -4.97 118.33 109.19 2gri n VAL 69 Ca -0.08 -2.39 0.17 0.00 -2.04 0.00 0.00 64.34 60.00 2gri n VAL 69 Cb 0.29 0.54 0.85 0.00 -1.47 0.00 0.00 33.84 34.05 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 3.67 0.00 -0.81 -1.34 0.02 -1.88 -1.12 113.55 112.08 2gri h SER 70 Ca -0.06 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.12 2gri h SER 70 Cb 1.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2gri h SER 70 CO 0.33 0.00 0.60 -2.24 -1.14 0.00 0.00 176.83 174.38 2gri h ASP 71 N 0.00 0.00 0.00 3.07 3.04 -1.97 -0.19 116.42 120.37 2gri h ASP 71 Ca 0.08 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.81 2gri h ASP 71 Cb 0.46 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.74 2gri h ASP 71 CO -0.00 0.00 -0.35 -0.07 -2.04 0.00 0.00 179.24 176.78 2gri h LEU 72 N 0.00 0.00 -0.38 0.15 3.38 -1.61 -3.29 115.31 113.56 2gri h LEU 72 Ca 0.38 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2gri h LEU 72 Cb 1.57 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.24 2gri h LEU 72 CO -0.00 1.05 -0.15 -0.07 0.09 0.00 0.00 178.44 179.35 2gri h LEU 73 N -1.00 -0.52 -2.20 1.67 4.07 -1.42 0.34 115.31 116.25 2gri h LEU 73 Ca -0.09 0.13 0.05 0.00 0.08 0.00 0.00 57.88 58.06 2gri h LEU 73 Cb 0.92 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 2gri h LEU 73 CO -0.05 -0.19 0.26 0.74 -1.08 0.00 0.00 178.44 178.12 2gri h THR 74 N -0.08 0.34 0.00 0.22 2.02 0.09 0.33 112.91 115.84 2gri h THR 74 Ca 0.19 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 67.12 2gri h THR 74 Cb 0.36 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2gri h THR 74 CO -0.43 0.00 -1.61 -3.20 0.37 0.00 0.00 175.52 170.64 2gri n ASN 75 N -3.59 0.85 0.17 4.18 5.15 0.89 -3.98 115.26 118.94 2gri n ASN 75 Ca 0.02 0.40 0.06 0.00 -0.60 0.00 0.00 54.58 54.46 2gri n ASN 75 Cb 0.37 0.04 0.08 0.00 -0.53 0.00 0.00 39.78 39.74 2gri n ASN 75 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 2gri h MET 76 N 0.00 0.00 0.00 1.20 2.86 0.18 -3.47 114.93 115.70 2gri h MET 76 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2gri h MET 76 Cb 1.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.52 2gri h MET 76 CO 0.07 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.73 2gri n GLY 77 N 1.18 0.55 3.44 8.32 0.00 0.41 -5.08 105.19 114.01 2gri n GLY 77 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.53 4.64 -0.01 -0.61 1.01 0.87 -4.96 121.20 120.61 2gri s ILE 78 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 2gri s ILE 78 Cb 0.00 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 2gri s ILE 78 CO 0.00 0.06 0.62 -0.62 0.00 0.00 0.00 174.94 175.00 2gri s ASP 79 N 1.62 6.99 0.08 3.58 -1.08 -1.26 -1.46 116.67 125.13 2gri s ASP 79 Ca 0.05 1.18 0.18 0.00 -0.52 0.00 0.00 52.55 53.44 2gri s ASP 79 Cb -0.17 -2.38 -0.12 0.00 -1.46 0.00 0.00 42.92 38.79 2gri s ASP 79 CO 0.06 0.06 0.83 -0.11 0.52 0.00 0.00 175.17 176.53 2gri n LEU 80 N 2.94 0.80 0.18 -1.34 -0.00 -1.26 -3.82 117.00 114.49 2gri n LEU 80 Ca -0.06 0.34 0.07 0.00 -0.00 0.00 0.00 56.01 56.36 2gri n LEU 80 Cb 0.51 0.06 0.16 0.00 -0.00 0.00 0.00 43.42 44.15 2gri n LEU 80 CO 0.44 0.09 0.64 0.44 -0.00 0.00 0.00 177.39 179.00 2gri h ASP 81 N 0.00 0.00 0.84 1.96 3.32 -2.01 -3.21 116.42 117.32 2gri h ASP 81 Ca -0.14 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.70 2gri h ASP 81 Cb 1.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.00 2gri h ASP 81 CO 0.03 0.30 -0.97 1.05 -1.72 0.00 0.00 179.24 177.94 2gri h GLU 82 N 0.00 0.07 -0.91 3.56 4.11 -1.93 -3.26 114.58 116.22 2gri h GLU 82 Ca -0.00 -0.10 0.12 0.00 0.07 0.00 0.00 59.36 59.45 2gri h GLU 82 Cb 1.14 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 2gri h GLU 82 CO 0.04 0.98 0.58 -1.49 0.07 0.00 0.00 179.01 179.20 2gri h TRP 83 N 0.03 0.93 0.00 2.06 4.06 -1.65 0.32 115.95 121.69 2gri h TRP 83 Ca -0.03 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.89 2gri h TRP 83 Cb 1.68 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 29.54 2gri h TRP 83 CO 0.01 0.37 -0.23 0.77 -3.56 0.00 0.00 178.44 175.81 2gri h SER 84 N 0.81 0.00 -0.70 -3.49 0.02 -1.70 -3.20 113.55 105.30 2gri h SER 84 Ca 0.45 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.89 2gri h SER 84 Cb 0.57 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.70 2gri h SER 84 CO -0.21 0.23 -0.82 1.33 -1.14 0.00 0.00 176.83 176.22 2gri n VAL 85 N -3.29 2.45 -4.42 2.27 0.24 0.55 -4.98 118.33 111.14 2gri n VAL 85 Ca 0.01 -4.11 -0.22 0.00 -2.04 0.00 0.00 64.34 57.98 2gri n VAL 85 Cb 0.49 -0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 31.84 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gri n ALA 86 N -0.72 0.35 -2.77 2.33 0.00 0.82 -4.95 120.51 115.57 2gri n ALA 86 Ca 0.41 -1.60 -0.33 0.00 0.00 0.00 0.00 53.44 51.92 2gri n ALA 86 Cb 0.95 0.85 -0.14 0.00 0.00 0.00 0.00 19.45 21.11 2gri n ALA 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2gri s THR 87 N -2.24 2.95 -0.24 0.00 -1.32 -1.26 -5.03 115.64 108.50 2gri s THR 87 Ca 0.03 -0.73 0.02 0.00 -1.21 0.00 0.00 61.69 59.80 2gri s THR 87 Cb -0.00 -2.19 0.06 0.00 -1.51 0.00 0.00 72.50 68.86 2gri s THR 87 CO 0.02 0.56 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.56 2gri s PHE 88 N -0.20 2.70 -0.26 9.09 0.40 -1.26 -4.84 117.98 123.60 2gri s PHE 88 Ca -0.00 -1.95 -0.23 0.00 -0.60 0.00 0.00 56.93 54.15 2gri s PHE 88 Cb -0.13 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 2gri s PHE 88 CO 0.03 -0.81 0.75 0.71 0.70 0.00 0.00 175.22 176.61 2gri s TYR 89 N 1.29 3.28 -1.01 0.36 1.51 -0.81 -4.58 117.35 117.39 2gri s TYR 89 Ca -0.07 0.96 -0.20 0.00 -1.01 0.00 0.00 57.07 56.75 2gri s TYR 89 Cb -0.19 -3.02 0.09 0.00 -0.11 0.00 0.00 41.96 38.73 2gri s TYR 89 CO -0.06 -0.41 1.32 -0.51 -1.11 0.00 0.00 175.55 174.78 2gri s LEU 90 N 2.76 4.29 0.00 -1.29 2.01 -1.26 -1.43 118.68 123.77 2gri s LEU 90 Ca 0.31 -1.86 -0.08 0.00 0.01 0.00 0.00 54.13 52.51 2gri s LEU 90 Cb -0.15 -2.49 0.18 0.00 0.01 0.00 0.00 46.19 43.74 2gri s LEU 90 CO 0.09 -1.25 1.14 0.49 1.01 0.00 0.00 176.35 177.83 2gri n PHE 91 N 7.65 -3.48 -3.74 0.29 3.01 -0.46 -2.95 117.46 117.77 2gri n PHE 91 Ca 0.30 -1.43 0.00 0.00 1.01 0.00 0.00 57.45 57.33 2gri n PHE 91 Cb 0.49 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 2gri n PHE 91 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2gri n ASP 92 N -3.38 0.75 -0.02 4.37 8.00 -0.05 -0.09 116.55 126.13 2gri n ASP 92 Ca 0.16 -0.74 0.15 0.00 0.71 0.00 0.00 54.79 55.07 2gri n ASP 92 Cb 0.57 0.00 0.87 0.00 -0.02 0.00 0.00 41.12 42.54 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2gri n ASP 93 N -1.67 0.07 -0.17 -2.24 5.68 -1.26 -2.90 116.55 114.06 2gri n ASP 93 Ca 0.00 -1.08 0.04 0.00 -0.50 0.00 0.00 54.79 53.25 2gri n ASP 93 Cb 0.00 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gri n ALA 94 N -0.91 2.79 -0.61 2.12 0.00 -1.26 -4.98 120.51 117.66 2gri n ALA 94 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2gri n ALA 94 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.88 0.65 3.70 0.00 0.00 -1.14 -5.07 105.19 104.21 2gri n GLY 95 Ca 0.03 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.93 2.56 -1.24 1.61 -1.05 -1.26 -4.82 118.70 113.56 2gri s GLU 96 Ca 0.00 -0.98 -0.10 0.00 -0.15 0.00 0.00 54.97 53.74 2gri s GLU 96 Cb 0.00 -2.47 0.19 0.00 -0.44 0.00 0.00 34.13 31.40 2gri s GLU 96 CO 0.00 0.49 1.71 -1.91 0.95 0.00 0.00 175.26 176.50 2gri n GLU 97 N 0.02 3.65 -3.22 -4.83 2.13 -1.26 -0.87 120.64 116.25 2gri n GLU 97 Ca -0.10 -3.73 -0.14 0.00 0.66 0.00 0.00 57.16 53.85 2gri n GLU 97 Cb 0.54 -2.90 -0.03 0.00 0.27 0.00 0.00 31.44 29.32 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 3.97 1.61 -3.19 4.31 3.02 -1.15 -4.94 115.26 118.89 2gri n ASN 98 Ca 0.37 -2.07 -0.32 0.00 -0.03 0.00 0.00 54.58 52.52 2gri n ASN 98 Cb 0.37 0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.93 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 -0.51 3.56 -1.15 3.10 -1.74 -1.26 -4.67 117.46 114.80 2gri n PHE 99 Ca -0.05 -3.42 -0.05 0.00 -0.56 0.00 0.00 57.45 53.36 2gri n PHE 99 Cb 0.31 -0.75 0.03 0.00 1.52 0.00 0.00 39.48 40.59 2gri n PHE 99 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2gri n SER 100 N -0.19 0.00 -0.30 5.98 3.41 -1.26 -4.91 113.62 116.35 2gri n SER 100 Ca 0.37 -1.07 0.17 0.00 -0.26 0.00 0.00 58.87 58.08 2gri n SER 100 Cb 0.35 -0.17 0.44 0.00 -0.26 0.00 0.00 64.21 64.57 2gri n SER 100 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2gri h SER 101 N -0.30 0.56 -3.92 4.04 0.87 -1.96 -3.39 113.55 109.45 2gri h SER 101 Ca -0.07 0.07 -0.69 0.00 -1.23 0.00 0.00 61.79 59.87 2gri h SER 101 Cb 0.20 -0.03 -0.30 0.00 -0.44 0.00 0.00 62.40 61.82 2gri h SER 101 CO 0.05 0.20 -0.87 -0.60 -0.53 0.00 0.00 176.83 175.08 2gri s ARG 102 N -5.60 2.65 -0.33 2.24 6.06 -1.26 -4.40 118.95 118.30 2gri s ARG 102 Ca -0.09 -0.87 0.02 0.00 -2.50 0.00 0.00 55.73 52.29 2gri s ARG 102 Cb 0.24 -2.23 0.10 0.00 0.06 0.00 0.00 34.95 33.12 2gri s ARG 102 CO 0.79 0.38 0.07 -1.64 -2.50 0.00 0.00 175.30 172.40 2gri s MET 103 N -0.14 1.19 0.70 5.12 -1.94 -1.23 -4.37 119.30 118.63 2gri s MET 103 Ca -0.04 -1.58 -0.11 0.00 -1.71 0.00 0.00 55.69 52.25 2gri s MET 103 Cb -0.14 -2.74 0.01 0.00 2.01 0.00 0.00 34.83 33.98 2gri s MET 103 CO 0.04 -0.96 1.09 0.71 -0.01 0.00 0.00 175.02 175.89 2gri s TYR 104 N 1.16 3.31 -0.75 -0.03 2.02 0.88 -3.95 117.35 119.99 2gri s TYR 104 Ca 0.11 1.10 0.01 0.00 -0.37 0.00 0.00 57.07 57.92 2gri s TYR 104 Cb -0.18 -3.02 0.18 0.00 -0.40 0.00 0.00 41.96 38.54 2gri s TYR 104 CO -0.15 -1.18 0.58 0.00 -1.57 0.00 0.00 175.55 173.23 2gri s SER 106 N -0.48 6.93 -0.86 0.00 0.01 -0.51 -4.39 113.70 114.40 2gri s SER 106 Ca 0.24 1.14 -0.02 0.00 1.31 0.00 0.00 55.95 58.61 2gri s SER 106 Cb -0.10 -2.31 0.26 0.00 0.21 0.00 0.00 66.02 64.08 2gri s SER 106 CO -0.11 0.21 2.17 0.49 0.41 0.00 0.00 173.24 176.41 2gri n PHE 107 N 1.36 2.61 -3.60 2.43 3.01 -1.26 -1.93 117.46 120.08 2gri n PHE 107 Ca -0.09 -2.35 -0.05 0.00 1.01 0.00 0.00 57.45 55.97 2gri n PHE 107 Cb 0.51 -1.30 -0.03 0.00 -0.01 0.00 0.00 39.48 38.65 2gri n PHE 107 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2gri s TYR 108 N -3.37 -0.16 0.98 1.38 1.13 -1.26 -5.04 117.35 111.01 2gri s TYR 108 Ca 0.50 0.20 -0.12 0.00 -1.41 0.00 0.00 57.07 56.24 2gri s TYR 108 Cb 0.34 0.49 0.18 0.00 -1.10 0.00 0.00 41.96 41.87 2gri s TYR 108 CO -0.28 -0.19 1.09 -1.25 -2.51 0.00 0.00 175.55 172.42 2gri s PRO 109 N -1.71 0.59 0.09 -3.49 0.04 -1.26 -4.80 135.00 124.46 2gri s PRO 109 Ca 0.07 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.53 2gri s PRO 109 Cb -0.01 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.68 2gri s PRO 109 CO -0.04 -2.64 1.41 -1.00 0.04 0.00 0.00 177.00 174.76 2gri h PRO 110 N -1.83 0.64 0.00 0.56 0.13 -2.01 -3.46 132.00 126.03 2gri h PRO 110 Ca -0.53 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 2gri h PRO 110 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2gri h PRO 110 CO 0.57 0.94 0.00 -0.25 -0.23 0.00 0.00 178.00 179.03 2gri n ASP 111 N -4.32 0.00 0.00 1.44 9.92 -1.26 -5.09 116.55 117.24 2gri n ASP 111 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 2gri n ASP 111 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54