#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gri h PRO 2 N 0.00 0.28 -2.91 0.00 0.13 -1.99 -3.50 132.00 124.02 2gri h PRO 2 Ca 0.00 -0.15 0.08 0.00 -0.87 0.00 0.00 66.00 65.06 2gri h PRO 2 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2gri h PRO 2 CO 0.00 0.69 -0.84 -0.89 -0.23 0.00 0.00 178.00 176.73 2gri n ILE 3 N -3.99 -1.85 -1.70 -3.56 5.41 -1.26 -3.71 119.36 108.70 2gri n ILE 3 Ca -0.02 1.04 -0.44 0.00 1.00 0.00 0.00 62.75 64.33 2gri n ILE 3 Cb 0.52 -1.69 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 2gri n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2gri n LYS 4 N -2.82 2.39 -4.06 0.38 4.81 -0.80 -1.88 118.16 116.18 2gri n LYS 4 Ca -0.02 0.85 -0.34 0.00 -0.87 0.00 0.00 58.31 57.93 2gri n LYS 4 Cb 0.43 -2.60 -0.03 0.00 0.02 0.00 0.00 35.03 32.85 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gri n GLY 5 N 2.71 -0.45 3.64 3.14 0.00 -1.26 -0.19 105.19 112.77 2gri n GLY 5 Ca 0.12 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.20 -0.52 -2.51 1.61 0.31 -0.78 -4.90 118.33 107.33 2gri n VAL 6 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.10 2gri n VAL 6 Cb 0.49 -1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.89 4.76 -0.26 2.52 2.01 0.73 -5.01 115.64 117.51 2gri s THR 7 Ca 0.49 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.99 2gri s THR 7 Cb -0.27 -3.80 0.07 0.00 0.01 0.00 0.00 72.50 68.51 2gri s THR 7 CO 0.60 -0.77 0.64 0.72 -0.69 0.00 0.00 174.62 175.12 2gri s PHE 8 N -2.69 -0.95 0.00 4.92 -0.71 -1.26 -4.70 117.98 112.59 2gri s PHE 8 Ca 0.52 1.95 0.00 0.00 -1.04 0.00 0.00 56.93 58.36 2gri s PHE 8 Cb -0.10 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 2gri s PHE 8 CO 0.40 -0.48 0.00 0.41 -1.34 0.00 0.00 175.22 174.21 2gri n GLY 9 N 4.12 0.91 0.58 1.99 0.00 -1.26 -5.05 105.19 106.48 2gri n GLY 9 Ca -0.20 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.09 0.28 0.10 1.61 -0.58 -1.26 -5.07 120.64 114.62 2gri n GLU 10 Ca 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2gri n GLU 10 Cb 0.36 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 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 -3.77 -1.77 -3.76 1.62 -0.08 -1.26 -5.16 116.55 102.37 2gri n ASP 11 Ca -0.18 0.43 -0.04 0.00 -1.51 0.00 0.00 54.79 53.49 2gri n ASP 11 Cb 0.50 1.88 -0.01 0.00 2.34 0.00 0.00 41.12 45.83 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 -1.51 0.00 0.56 5.18 -1.32 -1.26 -5.12 115.64 112.17 2gri s THR 12 Ca 0.00 -0.76 -0.06 0.00 -1.21 0.00 0.00 61.69 59.66 2gri s THR 12 Cb 0.00 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 2gri s THR 12 CO 0.00 0.00 0.88 -0.69 -2.21 0.00 0.00 174.62 172.60 2gri s VAL 13 N -3.42 4.09 -1.58 5.08 1.01 -1.26 -3.29 120.40 121.04 2gri s VAL 13 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2gri s VAL 13 Cb -0.03 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2gri s VAL 13 CO 0.04 -0.63 0.00 0.79 0.00 0.00 0.00 175.10 175.30 2gri n TRP 14 N -2.50 0.00 0.00 5.22 7.02 -1.26 -4.64 117.44 121.27 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 -2.92 0.00 0.00 -2.42 0.00 0.00 31.31 26.53 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 -1.73 0.04 0.00 -0.99 1.02 -1.25 -4.95 120.64 112.77 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 0.59 -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 -1.53 0.00 -0.24 2.62 3.14 -1.21 -4.77 118.33 116.34 2gri n VAL 16 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2gri n VAL 16 Cb 0.06 -0.68 0.16 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 0.32 -0.42 1.45 4.15 -1.91 -3.43 115.11 115.27 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 0.75 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2gri h GLN 17 CO 0.00 0.21 0.00 0.41 -1.93 0.00 0.00 178.83 177.52 2gri n GLY 18 N -1.33 0.89 3.46 2.39 0.00 -1.26 -1.91 105.19 107.43 2gri n GLY 18 Ca 0.13 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.42 1.03 0.26 1.61 2.02 -1.26 -0.26 117.35 118.32 2gri s TYR 19 Ca 0.00 -1.25 -0.04 0.00 -0.37 0.00 0.00 57.07 55.41 2gri s TYR 19 Cb 0.00 -0.13 0.02 0.00 -0.40 0.00 0.00 41.96 41.44 2gri s TYR 19 CO 0.00 -1.06 0.40 1.63 -1.57 0.00 0.00 175.55 174.96 2gri n LYS 20 N -0.52 0.58 -3.63 -0.62 4.01 0.11 -4.50 118.16 113.59 2gri n LYS 20 Ca 0.01 -1.88 -0.23 0.00 -0.51 0.00 0.00 58.31 55.70 2gri n LYS 20 Cb 0.62 1.93 -0.17 0.00 -0.51 0.00 0.00 35.03 36.90 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 -2.52 1.78 0.10 4.39 0.01 -1.26 -3.02 114.94 114.42 2gri s ASN 21 Ca 0.18 -0.29 0.06 0.00 -0.71 0.00 0.00 52.86 52.10 2gri s ASN 21 Cb -0.01 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.46 2gri s ASN 21 CO 0.13 -0.31 -0.15 0.54 -1.51 0.00 0.00 177.10 175.80 2gri s VAL 22 N 2.17 1.30 0.15 1.60 0.11 -0.58 -4.78 120.40 120.37 2gri s VAL 22 Ca 0.03 -1.54 0.07 0.00 -2.93 0.00 0.00 61.98 57.61 2gri s VAL 22 Cb -0.14 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2gri s VAL 22 CO -0.07 -0.30 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.11 2gri s ARG 23 N -2.23 1.18 -0.04 1.54 1.81 -1.16 -0.57 118.95 119.48 2gri s ARG 23 Ca 0.05 -1.36 0.01 0.00 -1.72 0.00 0.00 55.73 52.71 2gri s ARG 23 Cb -0.07 -1.14 0.02 0.00 -0.45 0.00 0.00 34.95 33.31 2gri s ARG 23 CO 0.03 0.22 -0.06 0.42 -0.68 0.00 0.00 175.30 175.23 2gri s ILE 24 N -2.18 0.60 -0.48 1.52 1.09 -0.32 -1.96 121.20 119.47 2gri s ILE 24 Ca 0.14 -0.19 0.06 0.00 -1.10 0.00 0.00 60.65 59.55 2gri s ILE 24 Cb -0.05 -0.59 0.19 0.00 -1.06 0.00 0.00 42.46 40.95 2gri s ILE 24 CO 0.05 0.23 0.74 -0.89 -0.10 0.00 0.00 174.94 174.97 2gri s THR 25 N 0.68 -0.93 0.00 2.92 2.01 -1.26 -4.81 115.64 114.25 2gri s THR 25 Ca -0.10 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2gri s THR 25 Cb -0.13 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.38 2gri s THR 25 CO 0.01 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.27 2gri n PHE 26 N 3.22 0.00 0.00 4.92 7.35 -1.26 -4.84 117.46 126.86 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 0.57 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 -1.65 0.00 0.08 -4.13 1.02 -1.22 -4.97 120.64 109.77 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 -0.11 1.18 0.00 0.00 177.13 178.20 2gri n LEU 28 N 0.00 -0.04 -4.59 -4.62 -0.00 -1.26 -4.31 117.00 102.18 2gri n LEU 28 Ca 0.00 0.26 -0.28 0.00 -0.00 0.00 0.00 56.01 55.99 2gri n LEU 28 Cb 0.00 0.19 -0.08 0.00 -0.00 0.00 0.00 43.42 43.53 2gri n LEU 28 CO 0.00 -0.64 -0.21 -0.62 -0.00 0.00 0.00 177.39 175.92 2gri s ASP 29 N -5.05 3.23 0.00 1.96 2.15 -1.26 -5.03 116.67 112.67 2gri s ASP 29 Ca 0.00 -1.66 0.00 0.00 0.43 0.00 0.00 52.55 51.32 2gri s ASP 29 Cb 0.00 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2gri s ASP 29 CO 0.00 -0.90 0.00 -1.84 -0.17 0.00 0.00 175.17 172.26 2gri n GLU 30 N -1.02 2.61 0.00 4.34 0.28 -1.26 -4.30 120.64 121.28 2gri n GLU 30 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2gri n GLU 30 Cb 0.66 -0.74 0.00 0.00 1.43 0.00 0.00 31.44 32.79 2gri n GLU 30 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2gri n ARG 31 N -1.06 0.24 -2.25 3.44 1.85 -1.26 -4.75 116.66 112.87 2gri n ARG 31 Ca 0.00 -0.78 -0.03 0.00 -1.00 0.00 0.00 57.85 56.04 2gri n ARG 31 Cb 0.00 -0.98 0.08 0.00 -1.05 0.00 0.00 32.46 30.51 2gri n ARG 31 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2gri n VAL 32 N -0.15 0.00 0.06 8.89 3.14 -1.26 -4.97 118.33 124.04 2gri n VAL 32 Ca 0.00 -0.73 -0.22 0.00 -2.96 0.00 0.00 64.34 60.43 2gri n VAL 32 Cb 0.09 0.85 -0.15 0.00 -1.06 0.00 0.00 33.84 33.57 2gri n VAL 32 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 2gri h ASP 33 N 0.73 0.57 0.49 6.55 2.03 -1.86 -3.31 116.42 121.62 2gri h ASP 33 Ca -0.42 -0.90 0.00 0.00 -0.73 0.00 0.00 57.03 54.98 2gri h ASP 33 Cb 1.27 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2gri h ASP 33 CO -0.18 1.77 0.00 0.07 -1.03 0.00 0.00 179.24 179.87 2gri h LYS 34 N 0.10 0.00 0.00 4.15 -0.00 -1.93 -1.40 116.57 117.49 2gri h LYS 34 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.30 2gri h LYS 34 Cb 2.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.31 2gri h LYS 34 CO 0.16 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 179.89 2gri n VAL 35 N -2.47 0.49 -0.03 0.07 0.31 -1.25 -1.19 118.33 114.26 2gri n VAL 35 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2gri n VAL 35 Cb 0.17 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.92 1.32 0.00 7.52 -0.00 -0.56 -4.05 117.00 119.31 2gri n LEU 36 Ca 0.05 -1.32 0.00 0.00 -0.00 0.00 0.00 56.01 54.74 2gri n LEU 36 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2gri n LEU 36 CO 0.25 0.33 -0.40 -3.20 -0.00 0.00 0.00 177.39 174.37 2gri n ASN 37 N -0.18 4.01 -0.03 1.45 5.15 -1.00 -4.03 115.26 120.62 2gri n ASN 37 Ca 0.00 -0.09 -0.03 0.00 -0.60 0.00 0.00 54.58 53.86 2gri n ASN 37 Cb 0.10 0.98 -0.06 0.00 -0.53 0.00 0.00 39.78 40.26 2gri n ASN 37 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2gri n GLU 38 N -1.38 2.45 0.00 1.20 1.02 -0.33 -4.15 120.64 119.46 2gri n GLU 38 Ca 0.00 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 2gri n GLU 38 Cb 0.00 -1.20 0.09 0.00 -0.02 0.00 0.00 31.44 30.32 2gri n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gri n LYS 39 N -2.22 0.50 0.00 3.49 5.02 -1.25 -4.78 118.16 118.92 2gri n LYS 39 Ca -0.11 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2gri n LYS 39 Cb 0.68 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gri n SER 41 N 0.00 3.31 -4.73 0.00 3.41 -1.26 -4.18 113.62 110.18 2gri n SER 41 Ca 0.00 -0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.14 2gri n SER 41 Cb 0.00 1.15 -0.09 0.00 -0.26 0.00 0.00 64.21 65.01 2gri n SER 41 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2gri s VAL 42 N -2.11 4.60 0.04 -3.33 0.11 -1.26 -1.18 120.40 117.27 2gri s VAL 42 Ca -0.01 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2gri s VAL 42 Cb 0.03 -2.95 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 2gri s VAL 42 CO 0.17 0.61 -0.04 -0.31 -3.33 0.00 0.00 175.10 172.20 2gri s TYR 43 N -0.91 0.42 -0.15 1.54 1.51 0.27 -5.00 117.35 115.03 2gri s TYR 43 Ca 0.14 -0.72 -0.08 0.00 -1.01 0.00 0.00 57.07 55.39 2gri s TYR 43 Cb -0.11 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 2gri s TYR 43 CO 0.03 -0.24 0.14 0.99 -1.11 0.00 0.00 175.55 175.36 2gri s THR 44 N -2.36 5.47 -0.19 -0.71 2.01 -1.26 -1.53 115.64 117.07 2gri s THR 44 Ca -0.06 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2gri s THR 44 Cb -0.03 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.06 2gri s THR 44 CO -0.04 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 2gri s VAL 45 N -0.54 2.60 1.19 3.82 1.01 -1.17 -4.87 120.40 122.44 2gri s VAL 45 Ca 0.13 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 2gri s VAL 45 Cb -0.12 -2.13 0.23 0.00 0.00 0.00 0.00 36.38 34.37 2gri s VAL 45 CO 0.02 0.50 0.49 -0.62 0.00 0.00 0.00 175.10 175.49 2gri n GLU 46 N 4.57 -2.94 0.21 2.72 1.02 -1.26 0.04 120.64 124.99 2gri n GLU 46 Ca -0.20 -0.86 0.07 0.00 -0.02 0.00 0.00 57.16 56.15 2gri n GLU 46 Cb 0.51 -1.73 0.43 0.00 -0.02 0.00 0.00 31.44 30.63 2gri n GLU 46 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2gri h SER 47 N -2.85 0.00 -3.29 1.62 0.87 -0.93 -3.36 113.55 105.60 2gri h SER 47 Ca -0.40 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.55 2gri h SER 47 Cb 1.12 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.67 2gri h SER 47 CO 0.27 0.31 -0.68 -0.83 -0.53 0.00 0.00 176.83 175.37 2gri s GLY 48 N -4.31 2.33 0.11 5.77 0.00 -1.26 -5.01 107.32 104.95 2gri s GLY 48 Ca -0.01 -3.28 0.04 0.00 0.00 0.00 0.00 44.72 41.48 2gri s GLY 48 CO 0.67 1.33 -0.11 -1.59 0.00 0.00 0.00 173.10 173.40 2gri s THR 49 N -0.66 1.05 0.15 0.90 2.01 -1.26 -5.16 115.64 112.67 2gri s THR 49 Ca 0.23 -1.73 0.09 0.00 0.31 0.00 0.00 61.69 60.59 2gri s THR 49 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2gri s THR 49 CO -0.11 -0.57 -0.12 -1.61 -0.69 0.00 0.00 174.62 171.52 2gri s GLU 50 N -2.94 1.99 0.46 4.92 0.41 -1.26 -5.00 118.70 117.28 2gri s GLU 50 Ca 0.08 -1.20 0.31 0.00 -0.41 0.00 0.00 54.97 53.75 2gri s GLU 50 Cb -0.02 -2.17 1.62 0.00 -1.78 0.00 0.00 34.13 31.77 2gri s GLU 50 CO 0.01 0.46 1.95 0.28 -0.49 0.00 0.00 175.26 177.47 2gri h VAL 51 N 3.08 0.00 0.00 2.63 2.07 -1.97 -0.25 116.25 121.81 2gri h VAL 51 Ca -0.48 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2gri h VAL 51 Cb 1.19 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2gri h VAL 51 CO 0.51 0.00 -1.19 1.07 0.02 0.00 0.00 177.57 177.99 2gri n THR 52 N -2.62 0.33 0.00 2.57 5.66 -1.26 -4.10 114.28 114.86 2gri n THR 52 Ca -0.01 -0.42 -0.05 0.00 -3.05 0.00 0.00 64.05 60.51 2gri n THR 52 Cb 0.09 -0.07 0.16 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.52 0.00 1.09 4.81 -1.43 -2.63 114.58 116.94 2gri h GLU 53 Ca 0.00 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 2gri h GLU 53 Cb 0.89 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 2gri h GLU 53 CO 0.00 0.78 -0.12 0.74 -0.73 0.00 0.00 179.01 179.68 2gri h PHE 54 N 0.45 0.00 -0.09 0.92 0.04 -1.71 -3.00 116.94 113.55 2gri h PHE 54 Ca 0.06 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2gri h PHE 54 Cb 0.77 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 2gri h PHE 54 CO 0.03 0.12 0.16 0.00 -0.60 0.00 0.00 178.31 178.01 2gri h ALA 55 N 1.88 1.50 -0.25 2.45 0.00 -1.63 0.34 119.26 123.55 2gri h ALA 55 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gri h ALA 55 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gri h ALA 55 CO 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.06 2gri n VAL 57 N 0.03 0.00 1.20 0.00 0.31 0.49 -4.66 118.33 115.69 2gri n VAL 57 Ca 0.12 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.57 2gri n VAL 57 Cb 0.50 -0.90 0.28 0.00 -0.91 0.00 0.00 33.84 32.81 2gri n VAL 57 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2gri n VAL 58 N -2.07 0.00 1.07 2.52 0.31 0.88 -3.11 118.33 117.92 2gri n VAL 58 Ca 0.00 -0.19 0.11 0.00 -0.01 0.00 0.00 64.34 64.25 2gri n VAL 58 Cb 0.49 0.68 0.11 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 -0.32 3.71 -0.05 3.52 0.00 -1.26 -3.98 120.51 122.14 2gri n ALA 59 Ca 0.12 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2gri n ALA 59 Cb 0.39 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.76 0.21 -0.33 0.00 0.28 -1.25 -3.76 120.64 115.04 2gri n GLU 60 Ca 0.08 0.09 0.06 0.00 -0.16 0.00 0.00 57.16 57.23 2gri n GLU 60 Cb 0.38 -0.87 0.21 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 h ALA 61 N -0.33 1.36 -0.45 -1.84 0.00 -1.77 -1.63 119.26 114.60 2gri h ALA 61 Ca -0.25 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gri h ALA 61 Cb 1.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2gri h ALA 61 CO -0.14 0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.79 2gri h VAL 62 N 0.86 1.14 -0.83 0.00 2.07 -1.84 -2.66 116.25 115.00 2gri h VAL 62 Ca 0.46 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.76 2gri h VAL 62 Cb 0.47 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2gri h VAL 62 CO -0.27 0.14 0.47 0.58 0.02 0.00 0.00 177.57 178.51 2gri h VAL 63 N 0.60 0.91 -0.01 2.57 2.07 -1.53 -1.13 116.25 119.73 2gri h VAL 63 Ca 0.16 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2gri h VAL 63 Cb -0.01 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2gri h VAL 63 CO -0.03 0.14 -0.08 0.11 0.02 0.00 0.00 177.57 177.73 2gri h LYS 64 N 0.79 -0.09 -0.00 1.57 1.79 -1.10 0.03 116.57 119.57 2gri h LYS 64 Ca 0.40 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2gri h LYS 64 Cb 0.37 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2gri h LYS 64 CO -0.25 -0.06 0.03 1.15 -1.08 0.00 0.00 179.45 179.24 2gri h THR 65 N -0.09 0.05 -1.85 -0.16 2.02 -1.53 -2.41 112.91 108.95 2gri h THR 65 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 66.49 2gri h THR 65 Cb 0.10 0.97 -0.34 0.00 -1.74 0.00 0.00 68.15 67.15 2gri h THR 65 CO -0.06 0.00 0.24 0.18 0.37 0.00 0.00 175.52 176.24 2gri n LEU 66 N -3.14 6.20 -1.78 2.58 4.32 -0.10 -4.63 117.00 120.45 2gri n LEU 66 Ca -0.03 -5.09 -0.08 0.00 -0.02 0.00 0.00 56.01 50.80 2gri n LEU 66 Cb 0.10 -0.80 0.07 0.00 -1.62 0.00 0.00 43.42 41.17 2gri n LEU 66 CO 0.20 2.01 0.17 0.00 -1.22 0.00 0.00 177.39 178.55 2gri n GLN 67 N -0.46 2.23 0.01 3.23 1.13 -0.62 -4.78 117.38 118.13 2gri n GLN 67 Ca 0.46 -3.53 -0.13 0.00 -1.94 0.00 0.00 57.00 51.86 2gri n GLN 67 Cb 0.41 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 29.00 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 -0.06 -0.24 -1.09 0.13 -1.85 -3.42 132.00 127.30 2gri h PRO 68 Ca 0.09 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.97 2gri h PRO 68 Cb 1.40 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.37 2gri h PRO 68 CO 0.36 0.41 -0.55 1.33 -0.23 0.00 0.00 178.00 179.32 2gri n VAL 69 N -4.89 -0.07 1.16 1.56 0.24 -1.26 -4.97 118.33 110.11 2gri n VAL 69 Ca -0.08 -1.71 0.12 0.00 -2.04 0.00 0.00 64.34 60.63 2gri n VAL 69 Cb 0.25 1.15 0.62 0.00 -1.47 0.00 0.00 33.84 34.39 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 1.70 0.00 0.12 -1.34 3.41 -1.26 -2.88 113.62 113.37 2gri n SER 70 Ca 0.11 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 2gri n SER 70 Cb 0.62 -0.29 0.47 0.00 -0.26 0.00 0.00 64.21 64.75 2gri n SER 70 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gri n ASP 71 N -1.29 0.69 -0.12 4.04 5.68 -1.26 -2.96 116.55 121.34 2gri n ASP 71 Ca 0.12 0.63 -0.17 0.00 -0.50 0.00 0.00 54.79 54.87 2gri n ASP 71 Cb 0.20 -0.80 -0.13 0.00 -1.14 0.00 0.00 41.12 39.25 2gri n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gri n LEU 72 N -2.23 2.52 -0.27 -2.12 -0.00 -1.14 -4.39 117.00 109.37 2gri n LEU 72 Ca 0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 56.01 55.92 2gri n LEU 72 Cb 0.29 -0.70 0.11 0.00 -0.00 0.00 0.00 43.42 43.13 2gri n LEU 72 CO 0.23 0.87 1.14 -0.07 -0.00 0.00 0.00 177.39 179.57 2gri h LEU 73 N 0.00 0.71 -2.83 1.47 4.07 -1.66 0.05 115.31 117.12 2gri h LEU 73 Ca -0.57 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.41 2gri h LEU 73 Cb 1.95 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 43.57 2gri h LEU 73 CO -0.07 0.46 0.01 0.74 -1.08 0.00 0.00 178.44 178.50 2gri h THR 74 N 0.84 0.13 0.05 0.22 2.02 -0.96 0.75 112.91 115.97 2gri h THR 74 Ca 0.33 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.28 2gri h THR 74 Cb 0.15 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2gri h THR 74 CO -0.17 0.00 -1.06 0.78 0.37 0.00 0.00 175.52 175.44 2gri h ASN 75 N 0.00 0.20 1.06 4.18 2.35 -1.19 -3.27 115.58 118.90 2gri h ASN 75 Ca 0.00 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 2gri h ASN 75 Cb 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2gri h ASN 75 CO -0.00 1.13 -0.98 0.00 -1.65 0.00 0.00 177.43 175.92 2gri h MET 76 N 0.05 0.00 0.00 0.81 -0.00 -0.94 -3.48 114.93 111.36 2gri h MET 76 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2gri h MET 76 Cb 1.79 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.39 2gri h MET 76 CO 0.16 0.16 0.00 0.41 -0.00 0.00 0.00 176.91 177.63 2gri n GLY 77 N 1.25 4.49 3.65 -3.00 0.00 0.09 -5.10 105.19 106.58 2gri n GLY 77 Ca -0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 3.26 -0.11 -0.61 1.01 -0.75 -4.77 121.20 119.22 2gri s ILE 78 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 2gri s ILE 78 Cb 0.00 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2gri s ILE 78 CO 0.00 -0.04 -0.03 -0.62 0.00 0.00 0.00 174.94 174.25 2gri s ASP 79 N 4.34 4.95 -0.08 3.58 -1.08 -1.26 -1.01 116.67 126.12 2gri s ASP 79 Ca 0.83 0.00 0.05 0.00 -0.52 0.00 0.00 52.55 52.92 2gri s ASP 79 Cb -0.38 -1.54 -0.24 0.00 -1.46 0.00 0.00 42.92 39.30 2gri s ASP 79 CO 0.36 0.29 0.52 -0.11 0.52 0.00 0.00 175.17 176.75 2gri n LEU 80 N 2.75 1.54 0.31 -1.34 0.00 -1.26 -3.90 117.00 115.11 2gri n LEU 80 Ca -0.18 0.32 0.20 0.00 0.00 0.00 0.00 56.01 56.35 2gri n LEU 80 Cb 0.53 -0.32 0.96 0.00 0.00 0.00 0.00 43.42 44.59 2gri n LEU 80 CO 0.30 0.58 1.09 0.44 0.00 0.00 0.00 177.39 179.80 2gri h ASP 81 N 0.03 0.00 0.79 1.96 5.19 -1.96 -2.05 116.42 120.38 2gri h ASP 81 Ca -0.35 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.82 2gri h ASP 81 Cb 2.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.51 2gri h ASP 81 CO 0.08 0.00 -1.26 1.05 -3.12 0.00 0.00 179.24 175.99 2gri h GLU 82 N 0.00 0.03 -0.82 3.56 4.11 -1.93 -3.33 114.58 116.20 2gri h GLU 82 Ca -0.00 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.53 2gri h GLU 82 Cb 0.25 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 2gri h GLU 82 CO 0.00 0.87 0.39 -1.49 0.07 0.00 0.00 179.01 178.85 2gri h TRP 83 N 0.01 0.67 -0.29 2.06 4.06 -1.48 0.28 115.95 121.25 2gri h TRP 83 Ca -0.11 0.04 -0.11 0.00 2.06 0.00 0.00 58.89 60.76 2gri h TRP 83 Cb 1.87 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.84 2gri h TRP 83 CO 0.01 0.12 -0.29 1.03 -3.56 0.00 0.00 178.44 175.75 2gri h SER 84 N 0.54 0.61 -0.90 -3.49 0.87 -1.66 -3.04 113.55 106.49 2gri h SER 84 Ca 0.45 -0.23 -0.61 0.00 -1.23 0.00 0.00 61.79 60.17 2gri h SER 84 Cb 0.68 -0.17 -0.32 0.00 -0.44 0.00 0.00 62.40 62.15 2gri h SER 84 CO -0.39 0.87 0.34 1.33 -0.53 0.00 0.00 176.83 178.45 2gri n VAL 85 N -4.09 3.25 -4.04 2.23 0.24 0.08 -4.95 118.33 111.05 2gri n VAL 85 Ca -0.01 -3.23 -0.18 0.00 -2.04 0.00 0.00 64.34 58.88 2gri n VAL 85 Cb 0.45 -1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.88 0.42 -3.80 2.33 0.00 0.75 -4.95 120.51 114.38 2gri n ALA 86 Ca 0.56 -1.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 2gri n ALA 86 Cb 0.82 0.65 -0.12 0.00 0.00 0.00 0.00 19.45 20.81 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 -1.87 3.23 -0.29 0.00 2.01 -1.26 -5.04 115.64 112.41 2gri s THR 87 Ca 0.11 -2.27 -0.20 0.00 0.31 0.00 0.00 61.69 59.64 2gri s THR 87 Cb -0.01 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 2gri s THR 87 CO 0.07 -0.72 0.61 -0.36 -0.69 0.00 0.00 174.62 173.54 2gri s PHE 88 N 0.88 3.24 -0.23 4.92 0.40 -1.26 -4.80 117.98 121.13 2gri s PHE 88 Ca 0.10 0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 56.98 2gri s PHE 88 Cb -0.22 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 2gri s PHE 88 CO -0.04 -0.41 0.12 0.71 0.70 0.00 0.00 175.22 176.29 2gri s TYR 89 N 2.54 3.25 -0.81 0.36 1.51 -1.16 -4.77 117.35 118.27 2gri s TYR 89 Ca 0.25 0.07 -0.13 0.00 -1.01 0.00 0.00 57.07 56.25 2gri s TYR 89 Cb -0.15 -2.21 0.22 0.00 -0.11 0.00 0.00 41.96 39.70 2gri s TYR 89 CO 0.11 0.01 0.74 -0.51 -1.11 0.00 0.00 175.55 174.79 2gri s LEU 90 N 0.98 6.65 0.00 -1.29 2.01 -1.26 -1.19 118.68 124.58 2gri s LEU 90 Ca 0.06 -2.70 -0.16 0.00 0.01 0.00 0.00 54.13 51.33 2gri s LEU 90 Cb -0.14 -2.18 0.22 0.00 0.01 0.00 0.00 46.19 44.10 2gri s LEU 90 CO 0.03 -0.56 1.31 0.49 1.01 0.00 0.00 176.35 178.64 2gri n PHE 91 N 3.93 -4.00 -3.77 0.29 3.01 0.80 -3.61 117.46 114.12 2gri n PHE 91 Ca 0.13 -1.16 0.00 0.00 1.01 0.00 0.00 57.45 57.44 2gri n PHE 91 Cb 0.46 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 2gri n PHE 91 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2gri n ASP 92 N -3.85 1.15 -0.32 4.37 -0.08 0.90 -0.09 116.55 118.63 2gri n ASP 92 Ca 0.16 -0.77 0.15 0.00 -1.51 0.00 0.00 54.79 52.82 2gri n ASP 92 Cb 0.57 0.00 0.66 0.00 2.34 0.00 0.00 41.12 44.69 2gri n ASP 92 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2gri n ASP 93 N -1.41 1.01 -0.14 1.67 8.00 -1.26 -3.44 116.55 120.97 2gri n ASP 93 Ca 0.00 -1.34 0.03 0.00 0.71 0.00 0.00 54.79 54.18 2gri n ASP 93 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gri n ALA 94 N -0.21 2.54 -1.28 2.24 0.00 -1.26 -5.00 120.51 117.55 2gri n ALA 94 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2gri n ALA 94 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.60 1.03 3.18 0.00 0.00 -1.22 -5.09 105.19 103.68 2gri n GLY 95 Ca 0.02 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.74 0.87 -1.26 1.61 -1.05 -1.26 -4.88 118.70 109.99 2gri s GLU 96 Ca 0.00 -1.22 -0.08 0.00 -0.15 0.00 0.00 54.97 53.51 2gri s GLU 96 Cb 0.00 -0.48 0.18 0.00 -0.44 0.00 0.00 34.13 33.39 2gri s GLU 96 CO 0.00 0.06 1.85 -1.91 0.95 0.00 0.00 175.26 176.21 2gri n GLU 97 N 0.36 3.79 -5.23 -4.83 2.13 -1.26 -0.07 120.64 115.52 2gri n GLU 97 Ca -0.15 -3.66 -0.32 0.00 0.66 0.00 0.00 57.16 53.70 2gri n GLU 97 Cb 0.59 -2.86 -0.17 0.00 0.27 0.00 0.00 31.44 29.27 2gri n GLU 97 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2gri s ASN 98 N 0.46 3.09 -0.96 4.31 0.01 -1.24 -4.91 114.94 115.70 2gri s ASN 98 Ca 0.39 -0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 51.92 2gri s ASN 98 Cb 0.10 -1.26 -0.11 0.00 0.41 0.00 0.00 41.25 40.38 2gri s ASN 98 CO 0.01 0.18 2.70 2.22 -1.51 0.00 0.00 177.10 180.71 2gri n PHE 99 N 3.37 1.43 -0.82 2.20 -1.74 -1.26 -4.68 117.46 115.95 2gri n PHE 99 Ca -0.19 -2.22 0.00 0.00 -0.56 0.00 0.00 57.45 54.48 2gri n PHE 99 Cb 0.53 -1.93 0.00 0.00 1.52 0.00 0.00 39.48 39.60 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 3.52 -0.19 -0.23 5.98 2.88 -1.26 -4.88 113.62 119.44 2gri n SER 100 Ca 0.56 -0.82 0.27 0.00 -1.33 0.00 0.00 58.87 57.55 2gri n SER 100 Cb 0.33 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.46 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 -0.19 0.12 -3.49 -3.46 0.02 -1.90 -3.39 113.55 101.27 2gri h SER 101 Ca 0.00 0.02 -0.43 0.00 -0.84 0.00 0.00 61.79 60.54 2gri h SER 101 Cb 0.00 -0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.20 2gri h SER 101 CO 0.00 0.04 -0.78 -0.60 -1.14 0.00 0.00 176.83 174.35 2gri s ARG 102 N -5.11 0.99 -0.13 3.45 6.06 -1.26 -3.01 118.95 119.94 2gri s ARG 102 Ca -0.06 -0.18 -0.01 0.00 -2.50 0.00 0.00 55.73 52.98 2gri s ARG 102 Cb 0.22 -0.93 0.04 0.00 0.06 0.00 0.00 34.95 34.34 2gri s ARG 102 CO 0.78 -0.04 -0.02 0.00 -2.50 0.00 0.00 175.30 173.53 2gri s MET 103 N 0.77 0.96 0.16 5.12 0.23 -0.83 -4.56 119.30 121.15 2gri s MET 103 Ca -0.12 -0.22 -0.30 0.00 -1.03 0.00 0.00 55.69 54.02 2gri s MET 103 Cb -0.14 -1.58 -0.07 0.00 -1.53 0.00 0.00 34.83 31.50 2gri s MET 103 CO 0.01 -0.41 0.96 0.71 -2.03 0.00 0.00 175.02 174.26 2gri s TYR 104 N 1.82 3.87 -0.92 3.16 2.02 0.87 -4.10 117.35 124.06 2gri s TYR 104 Ca 0.03 1.84 -0.16 0.00 -0.37 0.00 0.00 57.07 58.40 2gri s TYR 104 Cb -0.14 -3.04 0.17 0.00 -0.40 0.00 0.00 41.96 38.55 2gri s TYR 104 CO -0.07 0.26 1.02 0.00 -1.57 0.00 0.00 175.55 175.19 2gri s SER 106 N 2.98 6.89 0.02 0.00 1.04 -0.33 -3.40 113.70 120.89 2gri s SER 106 Ca 0.28 1.07 0.18 0.00 0.48 0.00 0.00 55.95 57.96 2gri s SER 106 Cb -0.07 -2.39 0.77 0.00 0.10 0.00 0.00 66.02 64.43 2gri s SER 106 CO -0.09 -0.18 1.58 2.22 0.98 0.00 0.00 173.24 177.75 2gri n PHE 107 N 4.28 0.05 -4.26 5.02 -1.74 -1.26 -2.99 117.46 116.56 2gri n PHE 107 Ca -0.01 0.02 -0.26 0.00 -0.56 0.00 0.00 57.45 56.64 2gri n PHE 107 Cb 0.51 -0.53 -0.09 0.00 1.52 0.00 0.00 39.48 40.89 2gri n PHE 107 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2gri s TYR 108 N -3.02 2.71 0.96 2.97 1.13 -1.26 -4.92 117.35 115.91 2gri s TYR 108 Ca 0.08 -0.19 -0.12 0.00 -1.41 0.00 0.00 57.07 55.43 2gri s TYR 108 Cb 0.12 -1.31 0.16 0.00 -1.10 0.00 0.00 41.96 39.83 2gri s TYR 108 CO 0.33 0.52 1.09 -1.25 -2.51 0.00 0.00 175.55 173.74 2gri s PRO 109 N -2.94 0.77 0.01 -3.49 0.04 -1.26 -4.71 135.00 123.42 2gri s PRO 109 Ca 0.26 0.65 -0.23 0.00 0.04 0.00 0.00 61.00 61.72 2gri s PRO 109 Cb -0.09 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 2gri s PRO 109 CO 0.17 -2.53 1.30 -1.00 0.04 0.00 0.00 177.00 174.98 2gri h PRO 110 N -1.75 0.16 0.00 0.56 0.13 -1.99 -3.47 132.00 125.64 2gri h PRO 110 Ca -0.52 -0.09 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