#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n PHE 6 N 0.00 0.00 0.00 2.11 3.01 -1.26 -5.02 117.46 116.30 2wri n PHE 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wri n PHE 6 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2wri n PHE 6 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2wri n GLU 7 N 0.00 0.00 -2.60 -1.08 4.07 0.35 -4.88 120.64 116.50 2wri n GLU 7 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2wri n GLU 7 Cb 0.00 -0.70 -0.03 0.00 -0.06 0.00 0.00 31.44 30.66 2wri n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2wri n GLU 8 N -2.50 -3.88 -4.96 5.31 2.13 -1.25 -4.88 120.64 110.60 2wri n GLU 8 Ca 0.00 2.93 -0.31 0.00 0.66 0.00 0.00 57.16 60.44 2wri n GLU 8 Cb 0.39 -3.97 -0.17 0.00 0.27 0.00 0.00 31.44 27.96 2wri n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wri s LYS 9 N -0.49 2.75 -0.25 5.31 2.20 -0.14 -4.94 119.74 124.19 2wri s LYS 9 Ca -0.17 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.57 2wri s LYS 9 Cb 0.01 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 34.14 2wri s LYS 9 CO 0.45 0.10 0.16 1.41 -0.36 0.00 0.00 175.35 177.11 2wri s MET 10 N 0.53 4.00 0.00 4.03 -2.45 -1.26 -0.10 119.30 124.05 2wri s MET 10 Ca -0.15 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 2wri s MET 10 Cb -0.17 -3.54 0.00 0.00 1.25 0.00 0.00 34.83 32.37 2wri s MET 10 CO 0.05 -0.01 0.00 -0.89 1.05 0.00 0.00 175.02 175.22 2wri n ILE 11 N 4.51 0.00 -3.61 10.11 5.41 -0.90 -4.93 119.36 129.96 2wri n ILE 11 Ca -0.15 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.38 2wri n ILE 11 Cb 0.52 -0.28 -0.02 0.00 -0.71 0.00 0.00 39.64 39.15 2wri n ILE 11 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wri s LEU 12 N 0.00 3.21 -0.10 1.39 -0.00 -1.21 -4.97 118.68 116.99 2wri s LEU 12 Ca 0.00 -0.88 -0.08 0.00 -0.00 0.00 0.00 54.13 53.17 2wri s LEU 12 Cb 0.00 -1.81 0.03 0.00 -0.00 0.00 0.00 46.19 44.41 2wri s LEU 12 CO 0.00 -0.81 0.27 -0.63 -0.00 0.00 0.00 176.35 175.18 2wri s ILE 13 N -2.56 -0.01 0.06 1.48 1.01 -1.26 -1.84 121.20 118.08 2wri s ILE 13 Ca 0.46 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.10 2wri s ILE 13 Cb -0.03 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 2wri s ILE 13 CO 0.27 0.02 0.07 0.00 0.00 0.00 0.00 174.94 175.30 2wri s ARG 14 N 0.46 0.68 -0.33 2.79 1.70 -0.99 -5.02 118.95 118.23 2wri s ARG 14 Ca -0.03 -1.02 0.04 0.00 -0.47 0.00 0.00 55.73 54.25 2wri s ARG 14 Cb -0.04 0.26 0.10 0.00 -0.57 0.00 0.00 34.95 34.69 2wri s ARG 14 CO -0.02 -0.17 0.04 0.50 -1.08 0.00 0.00 175.30 174.57 2wri s ARG 15 N -3.56 1.47 0.94 3.89 3.52 -1.26 -2.23 118.95 121.72 2wri s ARG 15 Ca 0.03 -1.79 -0.15 0.00 -0.13 0.00 0.00 55.73 53.69 2wri s ARG 15 Cb 0.05 -3.11 0.17 0.00 -1.56 0.00 0.00 34.95 30.49 2wri s ARG 15 CO -0.09 -0.92 1.25 0.95 -0.81 0.00 0.00 175.30 175.68 2wri s THR 16 N 0.96 1.96 -0.13 4.11 -4.23 -0.61 -4.87 115.64 112.83 2wri s THR 16 Ca 0.10 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 2wri s THR 16 Cb -0.19 -2.93 0.06 0.00 1.34 0.00 0.00 72.50 70.79 2wri s THR 16 CO -0.09 0.00 0.63 0.00 -0.54 0.00 0.00 174.62 174.62 2wri s ALA 17 N -3.66 -1.59 0.29 3.99 0.00 -1.26 -2.43 121.76 117.09 2wri s ALA 17 Ca 0.69 1.43 0.11 0.00 0.00 0.00 0.00 51.96 54.19 2wri s ALA 17 Cb -0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2wri s ALA 17 CO 0.52 -0.33 -0.16 -0.98 0.00 0.00 0.00 175.76 174.81 2wri s ARG 18 N -0.55 1.66 0.12 0.00 1.70 -0.77 -4.96 118.95 116.16 2wri s ARG 18 Ca -0.07 -1.79 0.05 0.00 -0.47 0.00 0.00 55.73 53.46 2wri s ARG 18 Cb -0.03 -1.63 -0.04 0.00 -0.57 0.00 0.00 34.95 32.68 2wri s ARG 18 CO 0.05 0.25 0.04 -1.64 -1.08 0.00 0.00 175.30 172.92 2wri s MET 19 N -3.57 2.62 -0.29 3.89 -1.94 -1.26 -0.84 119.30 117.91 2wri s MET 19 Ca 0.30 -0.89 -0.13 0.00 -1.71 0.00 0.00 55.69 53.25 2wri s MET 19 Cb -0.02 -2.54 0.11 0.00 2.01 0.00 0.00 34.83 34.39 2wri s MET 19 CO 0.14 0.51 0.71 -1.14 -0.01 0.00 0.00 175.02 175.24 2wri s GLN 20 N -2.63 0.60 -0.07 2.03 -0.44 -0.82 -4.93 119.66 113.39 2wri s GLN 20 Ca 0.28 1.25 -0.19 0.00 -2.50 0.00 0.00 55.36 54.20 2wri s GLN 20 Cb -0.11 0.48 -0.09 0.00 -1.64 0.00 0.00 33.01 31.65 2wri s GLN 20 CO 0.20 -0.16 0.57 0.00 0.50 0.00 0.00 175.29 176.39 2wri n ALA 21 N 4.81 -1.56 0.00 1.58 0.00 -1.26 -0.98 120.51 123.10 2wri n ALA 21 Ca -0.16 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2wri n ALA 21 Cb 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2wri n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wri n GLY 22 N 1.04 2.16 0.00 0.00 0.00 -1.26 -5.01 105.19 102.12 2wri n GLY 22 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wri n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLY 23 N -0.49 0.94 3.76 -0.02 0.00 -0.16 -5.09 105.19 104.14 2wri n GLY 23 Ca 0.00 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2wri n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wri s ARG 24 N -1.85 2.93 -0.15 1.61 1.70 -1.26 -1.95 118.95 119.99 2wri s ARG 24 Ca 0.00 -0.61 0.02 0.00 -0.47 0.00 0.00 55.73 54.67 2wri s ARG 24 Cb 0.00 -2.76 0.01 0.00 -0.57 0.00 0.00 34.95 31.63 2wri s ARG 24 CO 0.00 0.60 -0.21 0.50 -1.08 0.00 0.00 175.30 175.11 2wri s ARG 25 N -2.05 3.02 0.01 3.89 3.52 -0.02 -4.96 118.95 122.35 2wri s ARG 25 Ca 0.26 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2wri s ARG 25 Cb -0.12 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2wri s ARG 25 CO 0.18 -0.06 0.01 1.19 -0.81 0.00 0.00 175.30 175.81 2wri n PHE 26 N 4.20 -3.75 0.00 5.12 3.01 -1.26 -1.85 117.46 122.93 2wri n PHE 26 Ca -0.20 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2wri n PHE 26 Cb 0.51 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2wri n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wri n ARG 27 N -1.02 0.00 -4.42 -1.08 0.63 -1.02 -4.86 116.66 104.89 2wri n ARG 27 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 2wri n ARG 27 Cb 0.01 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 2wri n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wri s PHE 28 N -1.96 2.37 -0.03 -0.14 0.40 -0.47 -1.57 117.98 116.58 2wri s PHE 28 Ca 0.00 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 2wri s PHE 28 Cb 0.00 -1.10 0.02 0.00 0.51 0.00 0.00 43.02 42.46 2wri s PHE 28 CO 0.00 0.61 0.07 0.20 0.70 0.00 0.00 175.22 176.80 2wri s GLY 29 N -3.15 0.01 -0.02 4.36 0.00 -0.95 -0.64 107.32 106.93 2wri s GLY 29 Ca 0.26 0.36 0.06 0.00 0.00 0.00 0.00 44.72 45.40 2wri s GLY 29 CO 0.14 0.58 -0.20 0.00 0.00 0.00 0.00 173.10 173.61 2wri s ALA 30 N 0.73 1.71 -0.48 3.20 0.00 0.14 -2.34 121.76 124.71 2wri s ALA 30 Ca -0.06 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 2wri s ALA 30 Cb -0.08 -0.47 0.13 0.00 0.00 0.00 0.00 23.12 22.70 2wri s ALA 30 CO -0.03 0.39 0.32 -1.17 0.00 0.00 0.00 175.76 175.27 2wri s LEU 31 N -0.36 5.46 -0.10 0.00 1.98 -0.77 -0.56 118.68 124.34 2wri s LEU 31 Ca 0.05 -2.16 -0.02 0.00 -2.89 0.00 0.00 54.13 49.10 2wri s LEU 31 Cb -0.09 -1.91 -0.03 0.00 0.66 0.00 0.00 46.19 44.82 2wri s LEU 31 CO 0.00 -0.57 0.01 -0.69 -1.89 0.00 0.00 176.35 173.21 2wri s VAL 32 N 0.97 4.36 0.28 1.68 1.01 -0.24 -2.12 120.40 126.34 2wri s VAL 32 Ca 0.09 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2wri s VAL 32 Cb -0.23 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2wri s VAL 32 CO -0.03 0.59 0.35 -0.69 0.00 0.00 0.00 175.10 175.33 2wri s VAL 33 N -0.75 4.56 -0.28 2.92 1.01 0.86 -1.44 120.40 127.29 2wri s VAL 33 Ca 0.12 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2wri s VAL 33 Cb -0.12 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.78 2wri s VAL 33 CO 0.02 -0.27 0.74 0.54 0.00 0.00 0.00 175.10 176.13 2wri s VAL 34 N -2.10 0.00 0.15 2.92 0.11 -0.68 -0.96 120.40 119.84 2wri s VAL 34 Ca 0.38 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.35 2wri s VAL 34 Cb -0.09 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2wri s VAL 34 CO 0.29 0.00 0.40 0.61 -3.33 0.00 0.00 175.10 173.07 2wri n GLY 35 N 3.62 1.34 0.00 6.54 0.00 -1.26 0.21 105.19 115.64 2wri n GLY 35 Ca -0.17 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2wri n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wri n ASP 36 N -1.14 4.21 0.00 1.61 5.68 -0.94 0.13 116.55 126.10 2wri n ASP 36 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2wri n ASP 36 Cb 0.27 0.62 0.00 0.00 -1.14 0.00 0.00 41.12 40.87 2wri n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wri n ARG 37 N -1.52 0.00 -0.05 0.11 1.74 -0.73 -4.91 116.66 111.29 2wri n ARG 37 Ca 0.00 0.11 0.04 0.00 -0.77 0.00 0.00 57.85 57.23 2wri n ARG 37 Cb 0.22 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.18 2wri n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wri n GLN 38 N -2.44 2.01 0.00 5.56 1.13 -1.25 -4.32 117.38 118.06 2wri n GLN 38 Ca 0.00 -1.87 0.00 0.00 -1.94 0.00 0.00 57.00 53.19 2wri n GLN 38 Cb 0.00 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.19 2wri n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wri n GLY 39 N -0.84 1.78 2.72 1.08 0.00 -0.34 -4.99 105.19 104.61 2wri n GLY 39 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2wri n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wri s ARG 40 N -0.49 0.25 0.17 1.61 0.52 -1.23 -1.84 118.95 117.95 2wri s ARG 40 Ca 0.00 -0.08 0.10 0.00 -0.52 0.00 0.00 55.73 55.24 2wri s ARG 40 Cb 0.00 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 2wri s ARG 40 CO 0.00 -0.89 -0.23 0.14 0.02 0.00 0.00 175.30 174.34 2wri s VAL 41 N 2.31 2.17 0.01 3.52 -7.23 -1.23 -2.58 120.40 117.37 2wri s VAL 41 Ca 0.08 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2wri s VAL 41 Cb -0.15 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 2wri s VAL 41 CO -0.26 -0.14 0.06 -0.83 -0.31 0.00 0.00 175.10 173.62 2wri s GLY 42 N -2.55 0.14 -0.09 2.32 0.00 0.13 -1.55 107.32 105.72 2wri s GLY 42 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2wri s GLY 42 CO 0.08 -0.48 -0.10 -2.27 0.00 0.00 0.00 173.10 170.33 2wri s LEU 43 N -1.49 1.44 0.06 0.66 2.96 -1.21 -1.68 118.68 119.42 2wri s LEU 43 Ca -0.14 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2wri s LEU 43 Cb -0.08 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 2wri s LEU 43 CO -0.00 -0.04 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.00 2wri s GLY 44 N 1.16 0.92 -0.18 7.98 0.00 -0.52 -4.60 107.32 112.08 2wri s GLY 44 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 2wri s GLY 44 CO -0.02 -0.98 -0.02 -0.12 0.00 0.00 0.00 173.10 171.96 2wri s PHE 45 N -1.05 1.53 0.10 1.90 5.36 -1.26 -1.08 117.98 123.49 2wri s PHE 45 Ca 0.02 -1.04 0.09 0.00 -0.96 0.00 0.00 56.93 55.03 2wri s PHE 45 Cb -0.09 -1.23 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 2wri s PHE 45 CO 0.02 -0.61 -0.18 0.20 -1.46 0.00 0.00 175.22 173.19 2wri s GLY 46 N 1.69 1.68 -0.07 13.12 0.00 0.28 -4.79 107.32 119.22 2wri s GLY 46 Ca -0.00 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.43 2wri s GLY 46 CO -0.07 -1.29 -0.17 0.54 0.00 0.00 0.00 173.10 172.11 2wri s LYS 47 N -2.03 2.15 0.09 2.90 3.01 -1.26 0.26 119.74 124.87 2wri s LYS 47 Ca 0.17 -0.60 -0.17 0.00 -1.01 0.00 0.00 55.97 54.36 2wri s LYS 47 Cb -0.11 -1.73 0.04 0.00 -1.01 0.00 0.00 37.83 35.03 2wri s LYS 47 CO 0.09 0.12 0.41 0.00 0.51 0.00 0.00 175.35 176.49 2wri s ALA 48 N 0.43 -0.98 -0.82 5.17 0.00 0.18 -4.85 121.76 120.90 2wri s ALA 48 Ca -0.14 0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2wri s ALA 48 Cb -0.16 0.54 0.08 0.00 0.00 0.00 0.00 23.12 23.58 2wri s ALA 48 CO 0.05 -0.56 0.98 -2.30 0.00 0.00 0.00 175.76 173.93 2wri n PRO 49 N 0.10 0.01 -3.81 0.00 -0.02 -1.26 -1.37 135.00 128.65 2wri n PRO 49 Ca -0.17 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 2wri n PRO 49 Cb 0.62 -1.60 -0.13 0.00 -0.02 0.00 0.00 33.50 32.37 2wri n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wri s GLU 50 N -2.92 0.13 0.11 -0.52 2.56 -1.26 -4.69 118.70 112.11 2wri s GLU 50 Ca -0.00 0.21 -0.33 0.00 0.00 0.00 0.00 54.97 54.85 2wri s GLU 50 Cb 0.00 0.01 -0.12 0.00 2.00 0.00 0.00 34.13 36.02 2wri s GLU 50 CO 0.01 -0.05 1.56 0.28 -0.56 0.00 0.00 175.26 176.50 2wri h VAL 51 N 5.21 0.02 -0.94 3.70 2.07 -1.93 0.16 116.25 124.54 2wri h VAL 51 Ca -0.29 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.40 2wri h VAL 51 Cb 1.19 0.02 -0.17 0.00 -1.52 0.00 0.00 31.29 30.82 2wri h VAL 51 CO 0.43 0.00 -0.32 -0.65 0.02 0.00 0.00 177.57 177.05 2wri h PRO 52 N -0.64 -0.01 0.24 1.57 0.11 -1.97 0.94 132.00 132.23 2wri h PRO 52 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2wri h PRO 52 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2wri h PRO 52 CO -0.38 -0.01 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.22 2wri h LEU 53 N -0.02 -0.27 -0.06 2.35 3.38 -1.74 -1.30 115.31 117.65 2wri h LEU 53 Ca 0.39 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.38 2wri h LEU 53 Cb 0.64 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 2wri h LEU 53 CO -0.96 -0.17 -0.37 0.00 0.09 0.00 0.00 178.44 177.03 2wri h ALA 54 N 0.41 -0.53 -0.23 1.53 0.00 0.26 0.67 119.26 121.38 2wri h ALA 54 Ca -0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wri h ALA 54 Cb 0.27 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wri h ALA 54 CO 0.05 -0.88 0.24 0.28 0.00 0.00 0.00 179.25 178.94 2wri h VAL 55 N -0.49 0.49 0.01 0.00 2.07 0.74 -2.06 116.25 117.01 2wri h VAL 55 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2wri h VAL 55 Cb 0.60 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2wri h VAL 55 CO -0.33 0.00 -0.00 -0.61 0.02 0.00 0.00 177.57 176.65 2wri h GLN 56 N 0.00 -0.01 -1.00 1.57 -0.00 0.75 -3.23 115.11 113.19 2wri h GLN 56 Ca 0.11 0.00 0.22 0.00 -0.00 0.00 0.00 58.65 58.98 2wri h GLN 56 Cb 0.58 0.00 -0.19 0.00 0.00 0.00 0.00 27.48 27.87 2wri h GLN 56 CO -0.00 -0.01 -0.17 1.63 0.00 0.00 0.00 178.83 180.28 2wri n LYS 57 N -2.08 -0.09 -0.31 1.69 5.02 0.20 0.99 118.16 123.59 2wri n LYS 57 Ca -0.00 1.54 0.10 0.00 -2.02 0.00 0.00 58.31 57.93 2wri n LYS 57 Cb 0.00 -2.34 0.26 0.00 -0.02 0.00 0.00 35.03 32.93 2wri n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wri h ALA 58 N 2.00 1.38 0.00 7.82 0.00 -1.52 0.39 119.26 129.33 2wri h ALA 58 Ca 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 2wri h ALA 58 Cb 0.89 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wri h ALA 58 CO -1.00 -0.17 -0.07 0.78 0.00 0.00 0.00 179.25 178.79 2wri h GLY 59 N 0.57 0.00 0.48 0.00 0.00 0.62 0.35 103.07 105.09 2wri h GLY 59 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 2wri h GLY 59 CO -0.42 0.00 -0.27 -1.82 0.00 0.00 0.00 176.54 174.03 2wri h TYR 60 N 0.00 0.28 0.00 5.60 3.20 -0.03 -3.03 116.97 122.99 2wri h TYR 60 Ca -0.00 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 2wri h TYR 60 Cb 0.12 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2wri h TYR 60 CO 0.00 0.95 -0.21 1.88 -1.64 0.00 0.00 178.16 179.15 2wri h TYR 61 N -0.47 0.00 0.01 -3.82 0.05 -0.92 -2.67 116.97 109.15 2wri h TYR 61 Ca -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2wri h TYR 61 Cb 1.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 2wri h TYR 61 CO 0.18 0.21 -0.01 0.00 -1.05 0.00 0.00 178.16 177.48 2wri h ALA 62 N 1.79 -0.69 -0.72 3.88 0.00 -0.23 -1.54 119.26 121.75 2wri h ALA 62 Ca -0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 2wri h ALA 62 Cb 0.43 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2wri h ALA 62 CO 0.03 -0.69 0.50 0.00 0.00 0.00 0.00 179.25 179.08 2wri h ARG 63 N -0.03 0.14 0.87 0.00 3.08 -1.42 -2.50 114.38 114.53 2wri h ARG 63 Ca -0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2wri h ARG 63 Cb 0.02 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.05 2wri h ARG 63 CO -0.00 0.09 -0.42 -0.09 -1.07 0.00 0.00 179.97 178.48 2wri h ARG 64 N 0.15 -1.13 -4.90 0.04 2.43 -1.07 -3.37 114.38 106.53 2wri h ARG 64 Ca 0.35 0.08 -0.69 0.00 -0.81 0.00 0.00 59.98 58.91 2wri h ARG 64 Cb 1.16 0.26 -0.18 0.00 -0.42 0.00 0.00 29.97 30.78 2wri h ARG 64 CO -0.05 -0.75 0.45 1.21 -1.51 0.00 0.00 179.97 179.32 2wri s ASN 65 N -4.18 6.37 0.45 -3.80 2.47 -0.63 -5.03 114.94 110.60 2wri s ASN 65 Ca -0.19 -1.63 0.03 0.00 0.42 0.00 0.00 52.86 51.49 2wri s ASN 65 Cb 0.02 -2.35 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 2wri s ASN 65 CO 0.59 -1.13 0.08 -0.04 -3.72 0.00 0.00 177.10 172.88 2wri s MET 66 N 2.79 2.04 -0.16 0.43 -1.94 -1.26 -3.34 119.30 117.87 2wri s MET 66 Ca 0.21 -2.27 -0.10 0.00 -1.71 0.00 0.00 55.69 51.82 2wri s MET 66 Cb -0.15 -0.97 0.05 0.00 2.01 0.00 0.00 34.83 35.78 2wri s MET 66 CO 0.01 -0.44 0.38 0.54 -0.01 0.00 0.00 175.02 175.50 2wri s VAL 67 N -3.07 -0.02 0.40 -6.03 0.11 -0.60 -4.99 120.40 106.20 2wri s VAL 67 Ca 0.16 0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 2wri s VAL 67 Cb 0.02 -0.56 -0.09 0.00 -1.53 0.00 0.00 36.38 34.22 2wri s VAL 67 CO 0.10 0.03 1.31 -1.83 -3.33 0.00 0.00 175.10 171.38 2wri s GLU 68 N 1.12 4.00 -0.13 1.54 -1.05 -1.26 -3.54 118.70 119.38 2wri s GLU 68 Ca -0.07 2.18 -0.02 0.00 -0.15 0.00 0.00 54.97 56.91 2wri s GLU 68 Cb -0.07 -2.79 0.04 0.00 -0.44 0.00 0.00 34.13 30.87 2wri s GLU 68 CO -0.09 -0.48 -0.01 0.08 0.95 0.00 0.00 175.26 175.71 2wri s VAL 69 N -1.25 0.63 -0.30 1.83 1.01 -0.77 -4.84 120.40 116.71 2wri s VAL 69 Ca 0.56 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 2wri s VAL 69 Cb -0.39 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 2wri s VAL 69 CO 0.50 0.11 1.47 -0.81 0.00 0.00 0.00 175.10 176.37 2wri n PRO 70 N 5.05 0.67 -0.52 2.72 -0.04 -1.26 -4.67 135.00 136.94 2wri n PRO 70 Ca -0.09 -0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 62.13 2wri n PRO 70 Cb 0.49 -2.30 0.20 0.00 -0.04 0.00 0.00 33.50 31.86 2wri n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wri n LEU 71 N 5.78 -1.69 -2.75 1.53 4.77 -1.26 -3.95 117.00 119.42 2wri n LEU 71 Ca 0.25 -0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 55.86 2wri n LEU 71 Cb 0.15 -0.96 0.02 0.00 -2.33 0.00 0.00 43.42 40.30 2wri n LEU 71 CO 0.73 -3.44 0.37 -1.58 -1.33 0.00 0.00 177.39 172.15 2wri s GLN 72 N -3.88 0.43 -0.69 3.23 0.74 -0.12 -4.80 119.66 114.57 2wri s GLN 72 Ca 0.55 -0.36 -0.04 0.00 0.05 0.00 0.00 55.36 55.55 2wri s GLN 72 Cb -0.13 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 33.98 2wri s GLN 72 CO 0.56 -0.56 0.55 0.09 -0.55 0.00 0.00 175.29 175.39 2wri n ASN 73 N 3.02 -4.15 -1.70 6.67 5.03 -1.26 -3.19 115.26 119.67 2wri n ASN 73 Ca 0.12 -0.25 -0.10 0.00 0.87 0.00 0.00 54.58 55.21 2wri n ASN 73 Cb 0.62 -2.77 0.03 0.00 -1.02 0.00 0.00 39.78 36.64 2wri n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wri n GLY 74 N -1.24 0.27 3.52 7.41 0.00 -1.26 -4.81 105.19 109.08 2wri n GLY 74 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2wri n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wri s THR 75 N -3.03 0.00 0.44 2.61 -1.32 -1.19 -1.09 115.64 112.05 2wri s THR 75 Ca 0.21 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.44 2wri s THR 75 Cb -0.09 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.81 2wri s THR 75 CO 0.26 0.00 1.44 0.00 -2.21 0.00 0.00 174.62 174.12 2wri n ILE 76 N 0.70 2.69 0.10 5.08 3.06 -1.26 -0.94 119.36 128.79 2wri n ILE 76 Ca -0.16 -0.50 -0.14 0.00 -2.50 0.00 0.00 62.75 59.45 2wri n ILE 76 Cb 0.58 -1.87 -0.07 0.00 0.54 0.00 0.00 39.64 38.83 2wri n ILE 76 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2wri h PRO 77 N 2.38 -0.58 0.00 9.51 0.13 -1.86 -3.43 132.00 138.15 2wri h PRO 77 Ca -0.51 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wri h PRO 77 Cb 1.27 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2wri h PRO 77 CO 0.61 -0.39 0.00 -2.39 -0.23 0.00 0.00 178.00 175.60 2wri n HIS 78 N -5.45 0.00 -3.96 1.56 1.44 -1.26 -4.97 115.22 102.57 2wri n HIS 78 Ca -0.07 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.52 2wri n HIS 78 Cb 0.37 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.35 2wri n HIS 78 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2wri s GLU 79 N 3.98 0.20 0.34 -1.40 4.04 -1.26 -3.82 118.70 120.78 2wri s GLU 79 Ca 0.00 -0.25 0.06 0.00 0.04 0.00 0.00 54.97 54.81 2wri s GLU 79 Cb 0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 34.13 34.05 2wri s GLU 79 CO 0.00 0.01 0.22 0.96 -1.84 0.00 0.00 175.26 174.61 2wri s ILE 80 N -0.51 0.18 -0.11 1.83 -4.36 -0.61 -4.98 121.20 112.65 2wri s ILE 80 Ca -0.05 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 2wri s ILE 80 Cb -0.04 -2.45 0.05 0.00 1.25 0.00 0.00 42.46 41.27 2wri s ILE 80 CO -0.00 0.00 0.24 -1.61 0.24 0.00 0.00 174.94 173.81 2wri s GLU 81 N -3.58 0.19 -0.04 0.37 2.02 -1.26 0.02 118.70 116.43 2wri s GLU 81 Ca 0.35 0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.90 2wri s GLU 81 Cb 0.03 -0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.16 2wri s GLU 81 CO 0.22 -0.18 -0.04 0.08 0.02 0.00 0.00 175.26 175.36 2wri s VAL 82 N 1.39 0.50 -0.02 2.63 1.01 0.06 -4.96 120.40 121.02 2wri s VAL 82 Ca -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2wri s VAL 82 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2wri s VAL 82 CO -0.08 0.21 0.05 -1.61 0.00 0.00 0.00 175.10 173.67 2wri s GLU 83 N 0.77 3.00 -0.33 2.72 2.02 -1.26 -0.51 118.70 125.12 2wri s GLU 83 Ca -0.10 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2wri s GLU 83 Cb -0.13 -2.82 0.14 0.00 0.10 0.00 0.00 34.13 31.42 2wri s GLU 83 CO 0.00 0.66 0.29 0.12 0.02 0.00 0.00 175.26 176.35 2wri s PHE 84 N -1.12 -0.14 0.00 1.61 5.36 0.11 -4.99 117.98 118.82 2wri s PHE 84 Ca 0.20 -0.70 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 2wri s PHE 84 Cb -0.12 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 2wri s PHE 84 CO 0.11 -0.91 0.00 0.41 -1.46 0.00 0.00 175.22 173.37 2wri n GLY 85 N 4.75 0.89 0.68 13.12 0.00 -1.26 -2.24 105.19 121.13 2wri n GLY 85 Ca 0.04 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.55 2wri n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri n ALA 86 N 9.93 2.53 -2.59 4.61 0.00 -1.26 -4.85 120.51 128.87 2wri n ALA 86 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 2wri n ALA 86 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2wri n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wri s SER 87 N -1.99 6.75 -0.04 0.00 0.01 -0.95 0.19 113.70 117.67 2wri s SER 87 Ca 0.34 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.52 2wri s SER 87 Cb 0.21 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 64.17 2wri s SER 87 CO 0.32 0.16 -0.10 -0.75 0.41 0.00 0.00 173.24 173.28 2wri s LYS 88 N -0.21 1.26 0.02 12.44 2.20 0.22 0.09 119.74 135.76 2wri s LYS 88 Ca 0.25 -0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.60 2wri s LYS 88 Cb -0.16 -1.12 -0.02 0.00 -1.51 0.00 0.00 37.83 35.02 2wri s LYS 88 CO 0.12 0.05 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.45 2wri s ILE 89 N 0.51 1.65 -0.09 5.43 2.07 0.34 -0.11 121.20 131.00 2wri s ILE 89 Ca -0.09 -1.07 0.04 0.00 -1.41 0.00 0.00 60.65 58.12 2wri s ILE 89 Cb -0.13 -1.41 -0.00 0.00 0.13 0.00 0.00 42.46 41.05 2wri s ILE 89 CO 0.02 0.31 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.43 2wri s VAL 90 N -0.67 2.03 -0.11 4.00 1.01 -0.60 -0.76 120.40 125.31 2wri s VAL 90 Ca 0.08 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2wri s VAL 90 Cb -0.08 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2wri s VAL 90 CO 0.01 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.68 2wri s LEU 91 N 0.30 2.06 -0.23 3.92 2.01 0.10 -2.09 118.68 124.75 2wri s LEU 91 Ca -0.17 -0.55 -0.03 0.00 0.01 0.00 0.00 54.13 53.38 2wri s LEU 91 Cb -0.18 -1.38 0.07 0.00 0.01 0.00 0.00 46.19 44.72 2wri s LEU 91 CO 0.08 0.13 0.07 -0.75 1.01 0.00 0.00 176.35 176.89 2wri s LYS 92 N 0.51 0.51 0.34 1.70 2.20 0.14 -1.57 119.74 123.58 2wri s LYS 92 Ca -0.15 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 54.68 2wri s LYS 92 Cb -0.17 -1.90 -0.14 0.00 -1.51 0.00 0.00 37.83 34.11 2wri s LYS 92 CO 0.05 -0.78 0.59 -0.35 -0.36 0.00 0.00 175.35 174.51 2wri n PRO 93 N 5.07 0.54 -4.39 4.03 -0.04 -1.25 -0.82 135.00 138.14 2wri n PRO 93 Ca -0.07 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 2wri n PRO 93 Cb 0.45 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 2wri n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wri s ALA 94 N -1.28 2.36 0.40 0.55 0.00 -1.23 -4.66 121.76 117.88 2wri s ALA 94 Ca 0.62 -1.61 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 2wri s ALA 94 Cb -0.71 -0.27 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 2wri s ALA 94 CO 0.58 0.35 1.08 0.00 0.00 0.00 0.00 175.76 177.77 2wri s ALA 95 N -1.88 3.11 0.26 0.00 0.00 -1.26 -4.78 121.76 117.21 2wri s ALA 95 Ca 0.20 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 2wri s ALA 95 Cb -0.07 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.59 2wri s ALA 95 CO 0.09 -0.30 0.35 -2.30 0.00 0.00 0.00 175.76 173.60 2wri n PRO 96 N 0.01 0.00 -3.17 0.00 -0.02 -1.26 -2.92 135.00 127.64 2wri n PRO 96 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 2wri n PRO 96 Cb 0.49 -0.96 0.07 0.00 -0.02 0.00 0.00 33.50 33.08 2wri n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wri n GLY 97 N 2.05 -0.24 0.24 -1.23 0.00 -1.26 -4.94 105.19 99.80 2wri n GLY 97 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 2wri n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wri n THR 98 N -3.56 0.19 0.00 2.61 -1.04 -1.15 -5.12 114.28 106.22 2wri n THR 98 Ca -0.23 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2wri n THR 98 Cb 0.64 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 2wri n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wri n GLY 99 N 3.20 1.37 3.63 3.41 0.00 -1.19 -4.90 105.19 110.69 2wri n GLY 99 Ca -0.06 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2wri n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wri s VAL 100 N -2.94 4.86 -0.25 1.61 -7.23 -0.95 -2.54 120.40 112.96 2wri s VAL 100 Ca 0.00 1.31 0.01 0.00 -1.81 0.00 0.00 61.98 61.49 2wri s VAL 100 Cb 0.00 -4.07 0.05 0.00 0.56 0.00 0.00 36.38 32.91 2wri s VAL 100 CO 0.00 -0.10 -0.09 0.27 -0.31 0.00 0.00 175.10 174.86 2wri s ILE 101 N 2.78 2.44 0.13 -0.62 -0.00 -1.11 -4.96 121.20 119.86 2wri s ILE 101 Ca 0.31 -1.37 -0.23 0.00 -0.00 0.00 0.00 60.65 59.37 2wri s ILE 101 Cb -0.15 -2.33 0.08 0.00 -0.00 0.00 0.00 42.46 40.06 2wri s ILE 101 CO 0.09 0.09 1.08 0.00 -0.00 0.00 0.00 174.94 176.20 2wri n ALA 102 N 4.54 -2.89 -0.68 2.27 0.00 -1.26 -2.99 120.51 119.50 2wri n ALA 102 Ca -0.15 -0.96 -0.29 0.00 0.00 0.00 0.00 53.44 52.04 2wri n ALA 102 Cb 0.44 0.46 0.25 0.00 0.00 0.00 0.00 19.45 20.60 2wri n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wri s GLY 103 N -3.54 1.51 0.32 0.00 0.00 -1.26 -4.75 107.32 99.61 2wri s GLY 103 Ca 0.24 -0.54 0.10 0.00 0.00 0.00 0.00 44.72 44.52 2wri s GLY 103 CO 0.04 0.29 1.74 0.00 0.00 0.00 0.00 173.10 175.17 2wri h ALA 104 N -2.77 1.21 0.15 3.20 0.00 -2.01 -1.94 119.26 117.08 2wri h ALA 104 Ca -0.53 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2wri h ALA 104 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wri h ALA 104 CO 0.42 0.57 -0.07 0.28 0.00 0.00 0.00 179.25 180.45 2wri h VAL 105 N 0.08 0.00 -1.00 0.00 2.07 -1.98 -1.56 116.25 113.86 2wri h VAL 105 Ca 0.01 -0.30 0.21 0.00 0.82 0.00 0.00 66.70 67.44 2wri h VAL 105 Cb 0.79 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 2wri h VAL 105 CO 0.06 0.00 0.62 1.55 0.02 0.00 0.00 177.57 179.82 2wri h PRO 106 N -0.50 0.61 0.42 1.57 0.13 -1.91 -2.12 132.00 130.21 2wri h PRO 106 Ca -0.02 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2wri h PRO 106 Cb 0.15 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2wri h PRO 106 CO 0.03 0.40 -0.37 -0.09 -0.23 0.00 0.00 178.00 177.74 2wri h ARG 107 N 0.63 -0.75 -0.75 0.86 2.43 -1.41 -2.04 114.38 113.35 2wri h ARG 107 Ca 0.58 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.95 2wri h ARG 107 Cb 1.08 0.17 -0.14 0.00 -0.42 0.00 0.00 29.97 30.66 2wri h ARG 107 CO -0.35 -0.50 -0.18 0.00 -1.51 0.00 0.00 179.97 177.43 2wri n ALA 108 N -2.65 0.18 0.23 2.80 0.00 -0.59 -0.13 120.51 120.36 2wri n ALA 108 Ca -0.09 0.82 -0.14 0.00 0.00 0.00 0.00 53.44 54.03 2wri n ALA 108 Cb 0.35 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 2wri n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wri h ILE 109 N 0.00 0.45 -0.49 0.00 2.04 -1.35 -2.93 117.51 115.24 2wri h ILE 109 Ca 0.36 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.87 2wri h ILE 109 Cb 0.56 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2wri h ILE 109 CO -0.77 0.07 0.06 -0.07 0.00 0.00 0.00 178.15 177.44 2wri h LEU 110 N -0.91 -0.08 -0.14 1.44 3.38 -0.21 0.11 115.31 118.91 2wri h LEU 110 Ca -0.06 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2wri h LEU 110 Cb 0.58 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2wri h LEU 110 CO 0.10 -0.01 -0.21 -0.33 0.09 0.00 0.00 178.44 178.09 2wri h GLU 111 N 0.18 -0.25 0.00 1.13 5.08 -0.57 0.56 114.58 120.72 2wri h GLU 111 Ca 0.24 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2wri h GLU 111 Cb 0.34 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2wri h GLU 111 CO -0.35 -0.17 0.00 1.28 -1.00 0.00 0.00 179.01 178.77 2wri n LEU 112 N -5.34 0.20 0.12 1.33 4.77 -0.85 -1.27 117.00 115.95 2wri n LEU 112 Ca -0.03 0.55 0.02 0.00 -0.03 0.00 0.00 56.01 56.52 2wri n LEU 112 Cb 0.26 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2wri n LEU 112 CO 0.19 -0.32 0.34 0.00 -1.33 0.00 0.00 177.39 176.27 2wri h ALA 113 N 2.47 0.66 0.00 -1.18 0.00 0.14 -1.82 119.26 119.53 2wri h ALA 113 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2wri h ALA 113 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wri h ALA 113 CO 0.00 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2wri n GLY 114 N 1.26 1.46 3.82 0.00 0.00 -0.40 -1.19 105.19 110.14 2wri n GLY 114 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wri n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wri s VAL 115 N -2.00 4.44 -0.06 1.61 1.01 -0.61 -4.72 120.40 120.07 2wri s VAL 115 Ca 0.00 1.40 -0.04 0.00 0.00 0.00 0.00 61.98 63.35 2wri s VAL 115 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2wri s VAL 115 CO 0.00 -0.30 -0.09 0.41 0.00 0.00 0.00 175.10 175.12 2wri n THR 116 N -0.60 0.49 -4.40 3.92 -1.04 -0.25 -4.59 114.28 107.81 2wri n THR 116 Ca 0.06 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 2wri n THR 116 Cb 0.54 -1.62 -0.16 0.00 -1.82 0.00 0.00 70.33 67.27 2wri n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wri s ASP 117 N -5.68 1.37 -0.30 8.00 1.01 -0.98 -2.24 116.67 117.86 2wri s ASP 117 Ca -0.10 -0.22 -0.16 0.00 0.71 0.00 0.00 52.55 52.78 2wri s ASP 117 Cb 0.03 -0.64 0.18 0.00 1.01 0.00 0.00 42.92 43.50 2wri s ASP 117 CO 0.12 -0.00 1.11 -0.51 0.21 0.00 0.00 175.17 176.10 2wri s ILE 118 N 0.74 -0.16 -0.03 0.77 1.10 -1.05 -3.57 121.20 119.01 2wri s ILE 118 Ca -0.13 0.00 -0.21 0.00 -0.51 0.00 0.00 60.65 59.80 2wri s ILE 118 Cb -0.15 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.41 2wri s ILE 118 CO 0.02 0.00 0.61 -0.76 -2.11 0.00 0.00 174.94 172.70 2wri s LEU 119 N 1.73 4.38 -0.05 8.50 1.43 -0.00 -2.76 118.68 131.91 2wri s LEU 119 Ca -0.05 1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 2wri s LEU 119 Cb -0.03 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 43.27 2wri s LEU 119 CO -0.15 0.04 0.32 0.42 0.23 0.00 0.00 176.35 177.21 2wri s THR 120 N 0.11 0.04 -0.01 5.49 -4.23 -1.16 0.27 115.64 116.15 2wri s THR 120 Ca 0.32 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 2wri s THR 120 Cb -0.18 -0.56 -0.00 0.00 1.34 0.00 0.00 72.50 73.10 2wri s THR 120 CO 0.17 -0.17 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.27 2wri s LYS 121 N -0.80 0.50 -0.19 3.99 2.47 -0.89 -4.60 119.74 120.22 2wri s LYS 121 Ca -0.09 -0.19 -0.16 0.00 -1.56 0.00 0.00 55.97 53.97 2wri s LYS 121 Cb -0.04 -0.50 -0.04 0.00 -1.46 0.00 0.00 37.83 35.79 2wri s LYS 121 CO 0.03 0.10 0.38 -1.21 0.16 0.00 0.00 175.35 174.81 2wri s GLU 122 N -0.00 4.19 -0.01 4.03 2.02 -1.26 -1.55 118.70 126.12 2wri s GLU 122 Ca 0.01 0.19 0.03 0.00 0.02 0.00 0.00 54.97 55.22 2wri s GLU 122 Cb -0.04 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2wri s GLU 122 CO -0.00 0.02 -0.10 -0.51 0.02 0.00 0.00 175.26 174.68 2wri s LEU 123 N 1.14 2.02 0.00 1.80 1.43 0.85 -5.02 118.68 120.90 2wri s LEU 123 Ca 0.19 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2wri s LEU 123 Cb -0.14 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.54 2wri s LEU 123 CO 0.07 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.39 2wri n GLY 124 N 2.82 -1.86 3.58 -3.19 0.00 -1.26 0.71 105.19 105.99 2wri n GLY 124 Ca -0.14 -1.65 -0.56 0.00 0.00 0.00 0.00 46.02 43.67 2wri n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wri n SER 125 N 0.43 1.12 -1.84 1.61 2.88 0.13 -4.77 113.62 113.17 2wri n SER 125 Ca 0.00 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.63 2wri n SER 125 Cb 0.00 -1.08 0.27 0.00 -0.75 0.00 0.00 64.21 62.65 2wri n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wri n ARG 126 N 2.47 3.49 -1.57 -1.46 1.74 -1.26 -4.02 116.66 116.04 2wri n ARG 126 Ca 0.20 -2.67 -0.45 0.00 -0.77 0.00 0.00 57.85 54.16 2wri n ARG 126 Cb 0.14 -2.11 -0.04 0.00 -1.02 0.00 0.00 32.46 29.43 2wri n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wri n ASN 127 N -0.03 3.05 -0.28 0.55 2.85 -1.26 -4.84 115.26 115.31 2wri n ASN 127 Ca 0.35 0.36 -0.08 0.00 -0.11 0.00 0.00 54.58 55.09 2wri n ASN 127 Cb 1.24 -1.47 -0.04 0.00 1.24 0.00 0.00 39.78 40.76 2wri n ASN 127 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wri h PRO 128 N 13.68 -0.15 -0.72 1.20 0.11 -1.98 0.29 132.00 144.43 2wri h PRO 128 Ca -0.39 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.81 2wri h PRO 128 Cb 1.26 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 2wri h PRO 128 CO 0.97 -0.10 -0.56 0.82 -0.21 0.00 0.00 178.00 178.92 2wri h ILE 129 N -0.16 0.00 -0.27 4.15 2.04 -1.99 0.71 117.51 122.00 2wri h ILE 129 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 2wri h ILE 129 Cb 0.54 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2wri h ILE 129 CO -0.79 0.00 0.11 0.78 0.00 0.00 0.00 178.15 178.25 2wri h ASN 130 N -0.18 0.37 -0.82 1.72 2.35 -1.62 -2.01 115.58 115.39 2wri h ASN 130 Ca 0.13 -0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2wri h ASN 130 Cb 0.50 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.71 2wri h ASN 130 CO -0.78 0.43 0.49 0.40 -1.65 0.00 0.00 177.43 176.31 2wri h ILE 131 N 0.29 0.99 0.16 2.81 1.08 0.40 0.62 117.51 123.85 2wri h ILE 131 Ca 0.09 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.27 2wri h ILE 131 Cb 0.17 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 33.92 2wri h ILE 131 CO -0.01 0.16 -0.49 0.00 -0.69 0.00 0.00 178.15 177.12 2wri h ALA 132 N 1.41 -0.99 -0.19 1.87 0.00 0.86 0.28 119.26 122.49 2wri h ALA 132 Ca 0.37 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2wri h ALA 132 Cb 0.23 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2wri h ALA 132 CO -0.20 -1.10 -0.15 1.88 0.00 0.00 0.00 179.25 179.68 2wri h TYR 133 N -0.74 -0.37 -0.89 0.00 0.99 -0.75 -0.29 116.97 114.92 2wri h TYR 133 Ca -0.01 0.03 0.24 0.00 2.00 0.00 0.00 58.73 60.99 2wri h TYR 133 Cb 0.72 0.20 -0.15 0.00 1.00 0.00 0.00 36.73 38.50 2wri h TYR 133 CO -0.42 -0.22 0.18 0.00 -0.00 0.00 0.00 178.16 177.70 2wri h ALA 134 N 0.96 1.24 -0.07 3.88 0.00 0.89 0.38 119.26 126.53 2wri h ALA 134 Ca 0.12 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2wri h ALA 134 Cb 0.33 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2wri h ALA 134 CO -0.29 -0.51 0.01 1.15 0.00 0.00 0.00 179.25 179.62 2wri h THR 135 N 0.14 1.21 0.00 0.00 2.02 0.11 -2.28 112.91 114.11 2wri h THR 135 Ca 0.56 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2wri h THR 135 Cb 1.15 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2wri h THR 135 CO -0.72 0.18 0.00 0.23 0.37 0.00 0.00 175.52 175.58 2wri n MET 136 N -4.89 0.00 -0.22 6.66 2.00 0.11 -1.64 117.12 119.14 2wri n MET 136 Ca -0.06 0.43 0.20 0.00 0.00 0.00 0.00 57.70 58.27 2wri n MET 136 Cb 0.16 -1.23 0.37 0.00 0.00 0.00 0.00 33.22 32.52 2wri n MET 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2wri n GLU 137 N -1.49 -0.04 0.00 0.03 -0.58 -0.03 -0.04 120.64 118.49 2wri n GLU 137 Ca 0.00 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.71 2wri n GLU 137 Cb 0.00 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 2wri n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wri n ALA 138 N -2.65 -0.15 -0.36 0.62 0.00 -0.65 -2.67 120.51 114.64 2wri n ALA 138 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.71 2wri n ALA 138 Cb 0.82 0.14 0.10 0.00 0.00 0.00 0.00 19.45 20.51 2wri n ALA 138 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wri n LEU 139 N -1.52 -0.46 0.00 0.00 4.77 0.94 0.15 117.00 120.89 2wri n LEU 139 Ca 0.00 1.70 0.00 0.00 -0.03 0.00 0.00 56.01 57.68 2wri n LEU 139 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2wri n LEU 139 CO 0.00 -1.59 0.21 -1.14 -1.33 0.00 0.00 177.39 173.55 2wri n ARG 140 N -5.54 0.00 0.00 3.23 0.63 -0.76 -0.01 116.66 114.22 2wri n ARG 140 Ca 0.13 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 2wri n ARG 140 Cb 0.45 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.84 2wri n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wri n GLN 141 N -0.91 2.45 -2.78 -0.14 6.02 0.41 -5.05 117.38 117.38 2wri n GLN 141 Ca 0.00 -1.35 -0.34 0.00 -0.01 0.00 0.00 57.00 55.30 2wri n GLN 141 Cb 0.02 -0.98 -0.06 0.00 1.02 0.00 0.00 30.24 30.24 2wri n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wri s LEU 142 N -0.85 4.05 0.07 1.08 1.43 0.99 -5.08 118.68 120.38 2wri s LEU 142 Ca 0.00 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2wri s LEU 142 Cb 0.00 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2wri s LEU 142 CO 0.00 -0.31 -0.05 -0.13 0.23 0.00 0.00 176.35 176.09 2wri s ARG 143 N -2.85 0.69 0.06 1.70 1.81 -1.26 -4.95 118.95 114.16 2wri s ARG 143 Ca 0.59 -1.23 0.09 0.00 -1.72 0.00 0.00 55.73 53.46 2wri s ARG 143 Cb -0.13 0.00 -0.03 0.00 -0.45 0.00 0.00 34.95 34.34 2wri s ARG 143 CO 0.17 -0.06 -0.24 0.95 -0.68 0.00 0.00 175.30 175.44 2wri s THR 144 N -3.59 2.40 0.47 0.02 -4.23 -1.26 -4.53 115.64 104.91 2wri s THR 144 Ca 0.08 -1.41 0.40 0.00 -1.18 0.00 0.00 61.69 59.57 2wri s THR 144 Cb 0.05 -1.99 0.59 0.00 1.34 0.00 0.00 72.50 72.49 2wri s THR 144 CO -0.07 0.29 1.43 1.17 -0.54 0.00 0.00 174.62 176.90 2wri n LYS 145 N 1.48 -0.01 0.00 3.99 4.81 -1.26 -0.71 118.16 126.46 2wri n LYS 145 Ca -0.17 1.06 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2wri n LYS 145 Cb 0.52 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2wri n LYS 145 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wri n ALA 146 N -2.72 -0.16 0.32 3.14 0.00 -1.26 -2.36 120.51 117.47 2wri n ALA 146 Ca 0.39 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.85 2wri n ALA 146 Cb 1.69 0.00 0.10 0.00 0.00 0.00 0.00 19.45 21.24 2wri n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wri n ASP 147 N -1.00 0.00 -0.08 0.00 3.85 0.11 -2.07 116.55 117.36 2wri n ASP 147 Ca 0.00 -0.21 -0.10 0.00 -0.71 0.00 0.00 54.79 53.76 2wri n ASP 147 Cb 0.00 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.72 2wri n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2wri h VAL 148 N 0.00 0.40 0.00 2.12 2.07 -1.13 -3.33 116.25 116.38 2wri h VAL 148 Ca 0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2wri h VAL 148 Cb 0.00 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2wri h VAL 148 CO 0.00 0.14 0.00 -1.84 0.02 0.00 0.00 177.57 175.89 2wri n GLU 149 N -4.57 0.16 0.00 1.57 0.28 -0.88 0.62 120.64 117.82 2wri n GLU 149 Ca -0.15 0.13 0.14 0.00 -0.16 0.00 0.00 57.16 57.12 2wri n GLU 149 Cb 0.39 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 32.28 2wri n GLU 149 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2wri n ARG 150 N -1.17 1.29 -0.00 3.44 0.63 -1.16 -3.18 116.66 116.50 2wri n ARG 150 Ca 0.04 -0.69 0.07 0.00 -0.92 0.00 0.00 57.85 56.36 2wri n ARG 150 Cb 0.05 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.39 2wri n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wri n LEU 151 N -0.26 0.55 -4.07 6.15 4.77 0.20 -4.82 117.00 119.53 2wri n LEU 151 Ca 0.17 -0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 55.41 2wri n LEU 151 Cb 0.33 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 2wri n LEU 151 CO 0.20 0.14 -0.40 -0.13 -1.33 0.00 0.00 177.39 175.87 2wri s ARG 152 N -2.42 2.03 0.23 3.23 0.52 -1.17 -4.88 118.95 116.49 2wri s ARG 152 Ca 0.04 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 2wri s ARG 152 Cb 0.10 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2wri s ARG 152 CO 0.57 -0.70 0.00 1.63 0.02 0.00 0.00 175.30 176.82 2wri n LYS 153 N 4.41 0.00 0.00 3.54 4.76 -1.26 -4.83 118.16 124.77 2wri n LYS 153 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2wri n LYS 153 Cb 0.42 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 2wri n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wri n GLY 154 N 1.98 -1.80 0.00 0.72 0.00 -1.26 -5.22 105.19 99.60 2wri n GLY 154 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wri n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11