#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n LYS 2 N 0.00 0.00 -0.83 0.03 4.01 -1.26 -4.70 118.16 115.41 3kni n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kni n LYS 2 Cb 0.00 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 3kni n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kni n GLY 3 N 4.50 3.77 0.00 0.72 0.00 -1.26 -1.23 105.19 111.68 3kni n GLY 3 Ca 0.34 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3kni n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kni n ILE 4 N -0.30 0.00 0.00 -0.61 0.13 -1.21 -4.86 119.36 112.52 3kni n ILE 4 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3kni n ILE 4 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3kni n ILE 4 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3kni n LEU 5 N 0.00 0.00 0.00 9.51 4.77 -1.26 -1.67 117.00 128.35 3kni n LEU 5 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kni n LEU 5 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kni n LEU 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3kni n GLY 6 N 5.00 2.80 3.38 -0.72 0.00 -1.21 -4.37 105.19 110.07 3kni n GLY 6 Ca 0.00 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.67 3kni n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kni s VAL 7 N -2.30 2.17 0.18 1.61 -7.23 -1.15 -2.28 120.40 111.41 3kni s VAL 7 Ca 0.00 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 3kni s VAL 7 Cb 0.00 -1.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 3kni s VAL 7 CO 0.00 -0.05 1.18 -0.75 -0.31 0.00 0.00 175.10 175.16 3kni s LYS 8 N -2.35 4.51 -0.04 4.82 2.20 -0.82 -2.37 119.74 125.69 3kni s LYS 8 Ca 0.16 1.84 0.03 0.00 -0.36 0.00 0.00 55.97 57.64 3kni s LYS 8 Cb -0.09 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3kni s LYS 8 CO 0.07 -0.06 0.01 1.55 -0.36 0.00 0.00 175.35 176.56 3kni n VAL 9 N 2.54 0.25 0.00 4.02 3.14 -0.97 -0.67 118.33 126.63 3kni n VAL 9 Ca 0.04 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 3kni n VAL 9 Cb 0.45 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 3kni n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kni n GLY 10 N 2.78 2.93 3.01 7.55 0.00 -1.25 -4.80 105.19 115.41 3kni n GLY 10 Ca -0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 3kni n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kni s MET 11 N -2.12 0.33 0.00 1.61 0.23 -1.26 -1.22 119.30 116.87 3kni s MET 11 Ca 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 55.69 54.20 3kni s MET 11 Cb 0.00 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.43 3kni s MET 11 CO 0.00 -0.06 0.00 0.25 -2.03 0.00 0.00 175.02 173.18 3kni n THR 12 N 1.75 0.00 -4.69 3.16 -2.24 -0.45 -5.00 114.28 106.81 3kni n THR 12 Ca -0.22 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 3kni n THR 12 Cb 0.56 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3kni n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kni s ARG 13 N -1.16 2.11 0.24 -0.78 1.70 -1.26 0.83 118.95 120.62 3kni s ARG 13 Ca 0.00 -2.32 -0.14 0.00 -0.47 0.00 0.00 55.73 52.80 3kni s ARG 13 Cb 0.00 -1.35 0.00 0.00 -0.57 0.00 0.00 34.95 33.03 3kni s ARG 13 CO 0.00 -0.35 0.49 0.96 -1.08 0.00 0.00 175.30 175.32 3kni s ILE 14 N -2.93 0.01 -0.20 4.99 -4.36 -1.22 -4.85 121.20 112.63 3kni s ILE 14 Ca 0.13 -1.31 -0.07 0.00 -0.26 0.00 0.00 60.65 59.14 3kni s ILE 14 Cb 0.03 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 3kni s ILE 14 CO 0.07 -0.04 0.05 -0.36 0.24 0.00 0.00 174.94 174.90 3kni s PHE 15 N -3.99 3.16 -0.13 1.37 0.08 -1.26 -0.92 117.98 116.29 3kni s PHE 15 Ca 0.20 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 3kni s PHE 15 Cb -0.01 -2.10 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3kni s PHE 15 CO 0.07 -0.02 -0.02 0.50 -0.10 0.00 0.00 175.22 175.65 3kni s ARG 16 N 0.72 0.96 0.00 0.44 3.00 -0.94 -4.89 118.95 118.24 3kni s ARG 16 Ca 0.02 -0.23 0.00 0.00 -1.00 0.00 0.00 55.73 54.53 3kni s ARG 16 Cb -0.14 -1.59 0.00 0.00 0.00 0.00 0.00 34.95 33.22 3kni s ARG 16 CO 0.02 -0.41 0.00 -3.47 0.00 0.00 0.00 175.30 171.44 3kni n ASP 17 N 5.03 0.00 0.00 -2.12 4.64 -1.26 -2.59 116.55 120.25 3kni n ASP 17 Ca -0.09 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 3kni n ASP 17 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 3kni n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3kni n ASP 18 N 2.07 0.00 -4.11 1.67 8.00 -1.26 -5.14 116.55 117.78 3kni n ASP 18 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3kni n ASP 18 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3kni n ASP 18 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kni s ARG 19 N 0.00 0.67 -0.14 -1.24 0.52 -1.07 -5.11 118.95 112.58 3kni s ARG 19 Ca 0.00 -0.94 -0.21 0.00 -0.52 0.00 0.00 55.73 54.06 3kni s ARG 19 Cb 0.00 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 3kni s ARG 19 CO 0.00 0.07 0.61 0.00 0.02 0.00 0.00 175.30 175.99 3kni s ALA 20 N -1.86 3.47 -0.52 2.13 0.00 -1.26 -2.21 121.76 121.51 3kni s ALA 20 Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 3kni s ALA 20 Cb -0.07 -2.88 0.13 0.00 0.00 0.00 0.00 23.12 20.31 3kni s ALA 20 CO -0.00 -0.29 0.35 0.14 0.00 0.00 0.00 175.76 175.96 3kni s VAL 21 N 1.27 3.84 -0.10 0.00 -7.23 -0.10 -4.93 120.40 113.15 3kni s VAL 21 Ca 0.30 -2.25 -0.39 0.00 -1.81 0.00 0.00 61.98 57.83 3kni s VAL 21 Cb -0.16 -3.54 -0.16 0.00 0.56 0.00 0.00 36.38 33.07 3kni s VAL 21 CO 0.12 -0.79 1.52 -0.81 -0.31 0.00 0.00 175.10 174.83 3kni n PRO 22 N 4.35 1.06 -4.18 4.82 -0.04 -1.26 -3.41 135.00 136.33 3kni n PRO 22 Ca -0.00 0.38 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 3kni n PRO 22 Cb 0.40 -2.03 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 3kni n PRO 22 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kni s VAL 23 N 1.91 1.04 -0.09 0.52 -7.23 0.24 -3.23 120.40 113.56 3kni s VAL 23 Ca 0.92 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.58 3kni s VAL 23 Cb -1.04 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3kni s VAL 23 CO 0.57 -0.43 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.85 3kni s THR 24 N -2.01 2.60 -0.10 5.32 2.01 -0.13 -1.34 115.64 121.98 3kni s THR 24 Ca 0.03 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 3kni s THR 24 Cb -0.06 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3kni s THR 24 CO 0.01 0.55 0.19 -0.69 -0.69 0.00 0.00 174.62 174.00 3kni s VAL 25 N 0.04 5.42 0.23 3.82 1.01 -0.35 0.00 120.40 130.57 3kni s VAL 25 Ca -0.07 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.32 3kni s VAL 25 Cb -0.15 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3kni s VAL 25 CO 0.05 0.60 -0.16 -0.63 0.00 0.00 0.00 175.10 174.96 3kni s ILE 26 N -0.94 1.98 -0.52 2.22 -1.09 0.62 -2.30 121.20 121.18 3kni s ILE 26 Ca 0.16 -2.27 0.06 0.00 -2.23 0.00 0.00 60.65 56.37 3kni s ILE 26 Cb -0.13 -2.15 0.20 0.00 -1.58 0.00 0.00 42.46 38.81 3kni s ILE 26 CO 0.05 -0.52 0.50 -0.11 -1.23 0.00 0.00 174.94 173.63 3kni n LEU 27 N -0.47 1.27 -3.36 2.97 7.94 -1.00 -1.77 117.00 122.59 3kni n LEU 27 Ca -0.07 -4.84 -0.38 0.00 -1.11 0.00 0.00 56.01 49.61 3kni n LEU 27 Cb 0.60 0.05 -0.02 0.00 0.53 0.00 0.00 43.42 44.58 3kni n LEU 27 CO 0.36 1.93 3.18 0.00 -1.11 0.00 0.00 177.39 181.74 3kni n ALA 28 N 1.90 6.91 -0.73 1.96 0.00 -1.00 -2.93 120.51 126.62 3kni n ALA 28 Ca 0.25 -3.41 -0.31 0.00 0.00 0.00 0.00 53.44 49.98 3kni n ALA 28 Cb 0.45 -3.37 0.13 0.00 0.00 0.00 0.00 19.45 16.67 3kni n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 29 N 3.69 -2.60 3.64 0.00 0.00 -1.26 -3.94 105.19 104.73 3kni n GLY 29 Ca 0.71 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3kni n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kni n PRO 30 N -0.82 1.55 -3.93 1.61 -0.02 -1.26 -4.78 135.00 127.35 3kni n PRO 30 Ca 0.01 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3kni n PRO 30 Cb 0.61 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 3kni n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kni n PRO 32 N 3.61 2.53 -2.20 0.00 -0.02 -1.26 -2.33 135.00 135.34 3kni n PRO 32 Ca 0.05 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 3kni n PRO 32 Cb 0.36 -3.10 -0.02 0.00 -0.02 0.00 0.00 33.50 30.71 3kni n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kni s VAL 33 N 5.94 3.84 -2.38 -1.45 0.11 -1.26 -1.67 120.40 123.53 3kni s VAL 33 Ca 0.94 0.96 0.23 0.00 -2.93 0.00 0.00 61.98 61.17 3kni s VAL 33 Cb -0.40 -3.80 0.42 0.00 -1.53 0.00 0.00 36.38 31.08 3kni s VAL 33 CO 0.39 -0.28 1.39 1.33 -3.33 0.00 0.00 175.10 174.60 3kni n VAL 34 N 6.13 0.52 0.00 2.04 0.24 -0.40 -4.73 118.33 122.13 3kni n VAL 34 Ca 0.17 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3kni n VAL 34 Cb 0.45 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 3kni n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3kni n GLN 35 N 1.46 0.00 -0.39 7.34 7.27 -1.23 -4.60 117.38 127.22 3kni n GLN 35 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 3kni n GLN 35 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 3kni n GLN 35 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3kni n ARG 36 N -0.13 1.19 -3.37 3.69 3.00 -1.26 -1.06 116.66 118.72 3kni n ARG 36 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.73 3kni n ARG 36 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 3kni n ARG 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kni s ARG 37 N -0.87 0.32 0.23 5.56 1.81 -0.24 -4.81 118.95 120.95 3kni s ARG 37 Ca 0.00 0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 54.38 3kni s ARG 37 Cb 0.00 -0.59 -0.07 0.00 -0.45 0.00 0.00 34.95 33.83 3kni s ARG 37 CO 0.00 -0.65 0.57 0.95 -0.68 0.00 0.00 175.30 175.49 3kni s THR 38 N 2.51 4.90 0.66 0.02 -4.23 -1.26 -2.87 115.64 115.37 3kni s THR 38 Ca 0.12 0.57 0.35 0.00 -1.18 0.00 0.00 61.69 61.55 3kni s THR 38 Cb -0.15 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.41 3kni s THR 38 CO -0.15 -0.03 2.08 -0.65 -0.54 0.00 0.00 174.62 175.32 3kni h PRO 39 N 2.67 0.00 0.11 3.99 0.11 -1.90 0.68 132.00 137.66 3kni h PRO 39 Ca -0.47 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.32 3kni h PRO 39 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kni h PRO 39 CO 0.68 0.00 -1.68 1.05 -0.21 0.00 0.00 178.00 177.84 3kni h GLU 40 N 0.00 0.24 0.00 1.05 9.09 -1.92 -2.68 114.58 120.37 3kni h GLU 40 Ca 0.01 -0.41 0.00 0.00 0.05 0.00 0.00 59.36 59.01 3kni h GLU 40 Cb 0.45 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 3kni h GLU 40 CO -0.00 1.20 0.00 1.63 0.05 0.00 0.00 179.01 181.89 3kni n LYS 41 N -3.77 0.00 0.09 1.06 5.02 -0.51 -4.48 118.16 115.56 3kni n LYS 41 Ca -0.29 0.39 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 3kni n LYS 41 Cb 0.95 -1.07 0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3kni n LYS 41 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3kni h ASP 42 N 0.00 0.00 0.00 4.39 3.32 -1.33 -3.49 116.42 119.31 3kni h ASP 42 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kni h ASP 42 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kni h ASP 42 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 3kni n GLY 43 N 1.24 2.23 0.00 2.75 0.00 0.06 -4.82 105.19 106.66 3kni n GLY 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kni n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kni n TYR 44 N -2.00 0.00 -0.82 1.61 -0.00 -1.26 -4.66 117.16 110.04 3kni n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3kni n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3kni n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3kni n THR 45 N -0.89 -3.15 0.00 -3.48 -1.04 -1.14 -4.72 114.28 99.85 3kni n THR 45 Ca 0.00 1.22 0.00 0.00 -2.04 0.00 0.00 64.05 63.23 3kni n THR 45 Cb 0.00 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 3kni n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kni n ALA 46 N -0.99 0.00 -2.74 2.41 0.00 -1.14 -3.23 120.51 114.83 3kni n ALA 46 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3kni n ALA 46 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3kni n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kni s VAL 47 N -1.88 4.07 -0.34 0.00 1.01 -1.17 -1.08 120.40 121.00 3kni s VAL 47 Ca 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.60 3kni s VAL 47 Cb 0.00 -3.12 0.10 0.00 0.00 0.00 0.00 36.38 33.36 3kni s VAL 47 CO 0.00 -0.22 0.06 -1.58 0.00 0.00 0.00 175.10 173.35 3kni s GLN 48 N -3.37 1.51 -0.15 2.72 0.74 -0.22 0.49 119.66 121.38 3kni s GLN 48 Ca 0.31 -1.87 -0.14 0.00 0.05 0.00 0.00 55.36 53.70 3kni s GLN 48 Cb -0.09 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 3kni s GLN 48 CO 0.22 -0.94 0.31 -0.51 -0.55 0.00 0.00 175.29 173.82 3kni s LEU 49 N 0.91 4.25 0.00 3.68 1.02 0.71 -1.28 118.68 127.98 3kni s LEU 49 Ca 0.11 0.55 -0.03 0.00 0.02 0.00 0.00 54.13 54.78 3kni s LEU 49 Cb -0.19 -2.41 0.07 0.00 0.02 0.00 0.00 46.19 43.68 3kni s LEU 49 CO -0.08 0.10 0.47 0.61 0.02 0.00 0.00 176.35 177.47 3kni n GLY 50 N 3.33 -0.14 3.57 -3.19 0.00 -0.67 -1.37 105.19 106.72 3kni n GLY 50 Ca -0.11 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 3kni n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kni s PHE 51 N -1.59 -0.27 0.17 1.61 5.99 -1.21 -4.17 117.98 118.50 3kni s PHE 51 Ca 0.29 0.33 0.00 0.00 0.00 0.00 0.00 56.93 57.55 3kni s PHE 51 Cb -0.01 0.49 0.00 0.00 0.00 0.00 0.00 43.02 43.50 3kni s PHE 51 CO 0.20 -0.34 0.00 1.28 -0.00 0.00 0.00 175.22 176.36 3kni n LEU 52 N 0.24 -1.52 0.00 6.12 4.32 -1.26 -3.14 117.00 121.76 3kni n LEU 52 Ca -0.06 1.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 3kni n LEU 52 Cb 0.59 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 3kni n LEU 52 CO 0.12 0.13 0.00 -2.65 -1.22 0.00 0.00 177.39 173.77 3kni n PRO 53 N -0.92 3.65 0.00 3.23 -0.02 -1.26 -2.10 135.00 137.58 3kni n PRO 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kni n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kni n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kni n GLN 54 N 0.00 1.75 0.00 -0.52 10.64 -1.26 -2.23 117.38 125.76 3kni n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kni n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kni n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kni n ASN 55 N -0.11 0.00 -3.27 2.61 5.03 -1.26 -2.86 115.26 115.40 3kni n ASN 55 Ca 0.00 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.21 3kni n ASN 55 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3kni n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3kni n PRO 56 N 0.00 1.07 -4.14 3.52 -0.02 -1.26 -4.11 135.00 130.06 3kni n PRO 56 Ca 0.00 -1.21 -0.30 0.00 -2.02 0.00 0.00 63.50 59.98 3kni n PRO 56 Cb 0.00 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 3kni n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kni n LYS 57 N 5.58 -2.34 0.00 -0.52 5.02 -1.26 -4.67 118.16 119.97 3kni n LYS 57 Ca 0.34 0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.96 3kni n LYS 57 Cb 0.20 -4.29 0.35 0.00 -0.02 0.00 0.00 35.03 31.27 3kni n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kni n ARG 58 N -4.45 0.84 0.00 1.97 1.74 -1.26 -4.73 116.66 110.78 3kni n ARG 58 Ca -0.25 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3kni n ARG 58 Cb 0.65 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3kni n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3kni n VAL 59 N -0.72 0.00 -2.58 1.55 3.14 -1.26 -5.09 118.33 113.37 3kni n VAL 59 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3kni n VAL 59 Cb 0.04 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 3kni n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3kni n ASN 60 N -0.99 0.00 -0.35 6.55 6.94 -1.26 -4.96 115.26 121.19 3kni n ASN 60 Ca 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 54.58 54.86 3kni n ASN 60 Cb 0.00 0.00 0.50 0.00 -2.36 0.00 0.00 39.78 37.92 3kni n ASN 60 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3kni n ARG 61 N 0.00 -0.02 -1.54 -3.83 0.63 -1.26 0.02 116.66 110.66 3kni n ARG 61 Ca 0.00 0.89 -0.31 0.00 -0.92 0.00 0.00 57.85 57.51 3kni n ARG 61 Cb 0.00 -1.78 0.01 0.00 0.45 0.00 0.00 32.46 31.14 3kni n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3kni n PRO 62 N -4.08 2.49 -0.01 -0.14 -0.04 -1.26 -4.42 135.00 127.55 3kni n PRO 62 Ca 0.29 -2.80 -0.17 0.00 -0.04 0.00 0.00 63.50 60.79 3kni n PRO 62 Cb 1.15 -2.14 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 3kni n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3kni h LEU 63 N 3.15 0.40 -3.64 1.53 6.46 -0.80 -3.48 115.31 118.92 3kni h LEU 63 Ca 0.47 -0.77 -0.45 0.00 -0.12 0.00 0.00 57.88 57.01 3kni h LEU 63 Cb 0.51 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.32 3kni h LEU 63 CO 1.17 1.12 -1.14 1.17 -0.62 0.00 0.00 178.44 180.14 3kni n LYS 64 N -4.33 -1.66 0.00 1.25 4.81 -1.26 -4.78 118.16 112.18 3kni n LYS 64 Ca -0.10 0.99 0.13 0.00 -0.87 0.00 0.00 58.31 58.46 3kni n LYS 64 Cb 0.61 -2.07 0.45 0.00 0.02 0.00 0.00 35.03 34.03 3kni n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kni n GLY 65 N -1.04 -0.88 0.06 3.14 0.00 -1.26 -4.46 105.19 100.75 3kni n GLY 65 Ca -0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 3kni n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kni n HIS 66 N -0.94 -0.06 -2.55 1.61 -0.00 -1.26 -3.65 115.22 108.37 3kni n HIS 66 Ca 0.11 0.17 -0.42 0.00 -0.00 0.00 0.00 57.72 57.59 3kni n HIS 66 Cb 0.32 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.99 29.89 3kni n HIS 66 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3kni s PHE 67 N -4.45 3.56 0.31 1.57 0.40 -1.26 -4.91 117.98 113.20 3kni s PHE 67 Ca -0.02 1.51 0.04 0.00 -0.60 0.00 0.00 56.93 57.86 3kni s PHE 67 Cb 0.02 -3.27 0.83 0.00 0.51 0.00 0.00 43.02 41.10 3kni s PHE 67 CO 0.09 -0.66 1.58 0.00 0.70 0.00 0.00 175.22 176.93 3kni h ALA 68 N 6.55 1.31 0.00 5.36 0.00 -1.94 0.49 119.26 131.03 3kni h ALA 68 Ca -0.42 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kni h ALA 68 Cb 1.22 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3kni h ALA 68 CO 0.77 -0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.04 3kni n LYS 69 N -5.43 0.00 0.21 0.00 5.02 -1.26 -1.77 118.16 114.93 3kni n LYS 69 Ca 0.25 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.59 3kni n LYS 69 Cb 0.82 -1.41 0.27 0.00 -0.02 0.00 0.00 35.03 34.70 3kni n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kni h ALA 70 N 0.95 1.41 -0.02 7.82 0.00 -0.20 -3.42 119.26 125.81 3kni h ALA 70 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3kni h ALA 70 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kni h ALA 70 CO 0.00 -0.41 0.46 0.41 0.00 0.00 0.00 179.25 179.71 3kni n GLY 71 N -1.29 -0.05 0.51 0.00 0.00 -0.73 -0.55 105.19 103.08 3kni n GLY 71 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3kni n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kni n VAL 72 N 2.29 0.00 -0.54 1.61 0.31 -1.26 -4.32 118.33 116.42 3kni n VAL 72 Ca 0.19 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.32 3kni n VAL 72 Cb -0.01 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 3kni n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kni n GLU 73 N 0.34 0.00 -2.27 5.55 4.07 0.29 -4.63 120.64 123.98 3kni n GLU 73 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 3kni n GLU 73 Cb 0.00 -0.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.88 3kni n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3kni s PRO 74 N -0.17 4.39 0.00 5.31 0.04 -1.26 -4.42 135.00 138.89 3kni s PRO 74 Ca 0.29 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3kni s PRO 74 Cb -0.42 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3kni s PRO 74 CO 0.21 -0.29 0.00 0.28 0.04 0.00 0.00 177.00 177.24 3kni n VAL 75 N 3.39 0.00 -1.05 -0.36 0.31 -0.89 -4.13 118.33 115.59 3kni n VAL 75 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.22 3kni n VAL 75 Cb 0.44 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.22 3kni n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kni n ARG 76 N 0.00 0.00 0.00 5.55 1.74 -1.26 -4.68 116.66 118.01 3kni n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kni n ARG 76 Cb 0.00 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3kni n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kni n ILE 77 N 4.26 0.00 -3.71 0.55 5.41 -1.26 -4.62 119.36 119.99 3kni n ILE 77 Ca 0.47 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 64.08 3kni n ILE 77 Cb 0.08 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.92 3kni n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3kni s LEU 78 N 0.00 0.50 0.24 1.39 2.34 -1.26 -3.31 118.68 118.58 3kni s LEU 78 Ca 0.00 0.35 0.10 0.00 0.06 0.00 0.00 54.13 54.64 3kni s LEU 78 Cb 0.00 1.52 -0.05 0.00 -0.56 0.00 0.00 46.19 47.10 3kni s LEU 78 CO 0.00 -0.41 -0.17 -0.13 -1.06 0.00 0.00 176.35 174.58 3kni s ARG 79 N -0.97 1.49 0.58 1.48 3.00 -0.47 -4.93 118.95 119.13 3kni s ARG 79 Ca -0.10 -1.67 -0.04 0.00 0.00 0.00 0.00 55.73 53.92 3kni s ARG 79 Cb -0.04 -1.43 0.02 0.00 0.00 0.00 0.00 34.95 33.50 3kni s ARG 79 CO 0.04 0.26 0.86 -1.21 0.00 0.00 0.00 175.30 175.25 3kni s GLU 80 N -3.55 2.80 0.00 3.54 2.02 -1.26 -0.21 118.70 122.04 3kni s GLU 80 Ca 0.26 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 55.05 3kni s GLU 80 Cb -0.03 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.87 3kni s GLU 80 CO 0.11 -0.70 0.44 -0.89 0.02 0.00 0.00 175.26 174.23 3kni n ILE 81 N -2.52 0.00 -1.10 -1.63 2.08 0.18 -4.86 119.36 111.51 3kni n ILE 81 Ca 0.05 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.90 3kni n ILE 81 Cb 0.58 1.08 0.00 0.00 -0.75 0.00 0.00 39.64 40.55 3kni n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3kni n ARG 82 N -0.05 -0.70 -1.62 0.38 5.12 -1.26 -4.57 116.66 113.96 3kni n ARG 82 Ca 0.00 0.53 -0.09 0.00 -1.93 0.00 0.00 57.85 56.36 3kni n ARG 82 Cb 0.02 -1.04 0.01 0.00 -1.16 0.00 0.00 32.46 30.29 3kni n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3kni n ASP 83 N -1.36 -1.21 0.00 0.55 8.00 -1.20 -4.85 116.55 116.48 3kni n ASP 83 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3kni n ASP 83 Cb 0.02 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3kni n ASP 83 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kni n PHE 84 N -0.09 0.00 -3.70 1.24 -0.00 -1.26 -4.47 117.46 109.18 3kni n PHE 84 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.32 3kni n PHE 84 Cb 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.53 3kni n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3kni s ASN 85 N 0.00 -0.51 0.44 -2.13 2.47 -1.26 -3.04 114.94 110.90 3kni s ASN 85 Ca 0.00 0.90 0.08 0.00 0.42 0.00 0.00 52.86 54.26 3kni s ASN 85 Cb 0.00 0.81 0.01 0.00 -1.45 0.00 0.00 41.25 40.61 3kni s ASN 85 CO 0.00 -0.19 0.51 -2.16 -3.72 0.00 0.00 177.10 171.55 3kni s PRO 86 N 1.17 2.66 0.00 0.43 0.04 -1.26 -4.94 135.00 133.10 3kni s PRO 86 Ca -0.08 -1.40 -0.02 0.00 0.04 0.00 0.00 61.00 59.54 3kni s PRO 86 Cb -0.07 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 3kni s PRO 86 CO -0.10 -0.30 1.67 -0.85 0.04 0.00 0.00 177.00 177.45 3kni n GLU 87 N -1.77 0.80 -1.78 4.56 0.28 -1.26 -4.74 120.64 116.73 3kni n GLU 87 Ca 0.07 -0.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 3kni n GLU 87 Cb 0.60 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.87 3kni n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kni n GLY 88 N 2.49 0.00 2.73 -1.84 0.00 -1.26 -4.86 105.19 102.44 3kni n GLY 88 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3kni n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kni n ASP 89 N 0.37 -2.48 -0.27 1.61 2.03 -1.26 -5.01 116.55 111.54 3kni n ASP 89 Ca 0.00 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.13 3kni n ASP 89 Cb 0.00 1.71 0.00 0.00 -0.72 0.00 0.00 41.12 42.11 3kni n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3kni n THR 90 N 1.20 -1.73 -3.85 5.18 -1.04 -1.26 -4.94 114.28 107.83 3kni n THR 90 Ca 0.06 0.41 -0.36 0.00 -2.04 0.00 0.00 64.05 62.12 3kni n THR 90 Cb 0.67 -0.75 -0.13 0.00 -1.82 0.00 0.00 70.33 68.29 3kni n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kni s VAL 91 N -1.99 3.46 0.27 12.58 1.01 -0.98 -4.90 120.40 129.84 3kni s VAL 91 Ca 0.00 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.16 3kni s VAL 91 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3kni s VAL 91 CO 0.00 0.09 -0.01 0.42 0.00 0.00 0.00 175.10 175.59 3kni s THR 92 N 1.40 3.34 0.58 3.92 -4.23 -1.26 -1.32 115.64 118.08 3kni s THR 92 Ca 0.01 -1.94 0.32 0.00 -1.18 0.00 0.00 61.69 58.90 3kni s THR 92 Cb -0.17 -2.81 0.46 0.00 1.34 0.00 0.00 72.50 71.32 3kni s THR 92 CO -0.00 -0.36 1.63 0.58 -0.54 0.00 0.00 174.62 175.92 3kni h VAL 93 N 1.90 0.20 0.00 2.29 2.07 -1.87 -1.80 116.25 119.04 3kni h VAL 93 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3kni h VAL 93 Cb 1.25 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kni h VAL 93 CO 0.61 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.58 3kni n GLU 94 N -3.66 0.00 0.00 1.57 -0.58 -1.26 -0.74 120.64 115.97 3kni n GLU 94 Ca 0.21 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.89 3kni n GLU 94 Cb 1.25 -1.01 -0.12 0.00 -0.57 0.00 0.00 31.44 30.99 3kni n GLU 94 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3kni h ILE 95 N 0.00 0.89 -3.67 -3.67 5.03 -1.74 -3.46 117.51 110.89 3kni h ILE 95 Ca 0.00 -2.66 -0.67 0.00 -0.12 0.00 0.00 64.86 61.41 3kni h ILE 95 Cb 0.00 2.40 -0.24 0.00 -3.03 0.00 0.00 36.82 35.95 3kni h ILE 95 CO 0.00 0.51 -0.76 -0.36 -0.68 0.00 0.00 178.15 176.86 3kni s PHE 96 N -2.67 2.78 0.10 1.37 0.08 0.08 -5.08 117.98 114.64 3kni s PHE 96 Ca -0.03 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.70 3kni s PHE 96 Cb 0.08 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3kni s PHE 96 CO 0.82 0.01 0.03 0.15 -0.10 0.00 0.00 175.22 176.13 3kni s LYS 97 N -0.22 2.65 -0.25 0.44 -0.14 -1.26 -4.92 119.74 116.04 3kni s LYS 97 Ca 0.01 -0.82 -0.31 0.00 -1.36 0.00 0.00 55.97 53.49 3kni s LYS 97 Cb -0.13 -2.58 -0.08 0.00 -1.68 0.00 0.00 37.83 33.35 3kni s LYS 97 CO 0.03 0.54 2.18 -2.30 -0.76 0.00 0.00 175.35 175.03 3kni n PRO 98 N 0.42 1.68 0.00 -1.68 -0.02 -1.26 -2.58 135.00 131.56 3kni n PRO 98 Ca -0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3kni n PRO 98 Cb 0.52 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3kni n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kni n GLY 99 N 5.91 4.12 3.72 -1.23 0.00 -0.85 -5.02 105.19 111.85 3kni n GLY 99 Ca 0.33 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3kni n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kni n GLU 100 N 0.00 1.06 -4.11 1.61 1.02 -1.07 -4.55 120.64 114.61 3kni n GLU 100 Ca 0.00 0.42 -0.25 0.00 -0.02 0.00 0.00 57.16 57.31 3kni n GLU 100 Cb 0.00 -2.52 -0.06 0.00 -0.02 0.00 0.00 31.44 28.84 3kni n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kni s ARG 101 N -3.40 2.82 0.24 3.49 0.52 -1.26 0.36 118.95 121.72 3kni s ARG 101 Ca 0.82 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 3kni s ARG 101 Cb -0.38 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3kni s ARG 101 CO 0.41 0.46 0.22 0.14 0.02 0.00 0.00 175.30 176.55 3kni s VAL 102 N -1.84 0.00 -0.28 3.52 -7.23 0.56 -4.01 120.40 111.11 3kni s VAL 102 Ca 0.31 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 3kni s VAL 102 Cb -0.09 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 3kni s VAL 102 CO 0.23 0.00 0.08 -1.81 -0.31 0.00 0.00 175.10 173.28 3kni s ASP 103 N -3.19 5.10 -0.16 4.85 1.11 0.26 0.18 116.67 124.82 3kni s ASP 103 Ca 0.37 -0.58 -0.01 0.00 0.18 0.00 0.00 52.55 52.51 3kni s ASP 103 Cb 0.05 -1.89 -0.01 0.00 1.07 0.00 0.00 42.92 42.14 3kni s ASP 103 CO 0.15 -0.15 -0.12 -0.69 1.18 0.00 0.00 175.17 175.54 3kni s VAL 104 N 1.53 3.01 -0.11 -1.27 1.01 -0.79 -2.50 120.40 121.28 3kni s VAL 104 Ca 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kni s VAL 104 Cb -0.17 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3kni s VAL 104 CO 0.03 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.67 3kni s THR 105 N 0.75 3.71 0.08 3.92 2.01 -0.93 -0.45 115.64 124.72 3kni s THR 105 Ca -0.05 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 3kni s THR 105 Cb -0.15 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3kni s THR 105 CO 0.01 0.55 0.12 0.61 -0.69 0.00 0.00 174.62 175.22 3kni n GLY 106 N 2.94 2.72 3.04 4.40 0.00 0.46 -0.75 105.19 118.00 3kni n GLY 106 Ca -0.18 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 3kni n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kni s THR 107 N -2.57 2.49 0.93 2.61 2.01 -1.26 -1.54 115.64 118.32 3kni s THR 107 Ca 0.06 -2.31 -0.17 0.00 0.31 0.00 0.00 61.69 59.58 3kni s THR 107 Cb -0.00 -2.81 -0.13 0.00 0.01 0.00 0.00 72.50 69.56 3kni s THR 107 CO 0.04 -0.62 -0.60 -1.54 -0.69 0.00 0.00 174.62 171.21 3kni n SER 108 N 4.30 -5.36 -4.77 3.53 3.41 0.51 -4.08 113.62 111.15 3kni n SER 108 Ca 0.03 0.26 -0.37 0.00 -0.26 0.00 0.00 58.87 58.53 3kni n SER 108 Cb 0.42 -0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 3kni n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kni s LYS 109 N -2.03 3.78 -0.46 4.33 1.02 -1.26 -1.71 119.74 123.41 3kni s LYS 109 Ca 0.44 1.74 -0.21 0.00 0.02 0.00 0.00 55.97 57.96 3kni s LYS 109 Cb -0.22 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 3kni s LYS 109 CO 0.79 -0.53 0.66 0.20 -0.92 0.00 0.00 175.35 175.56 3kni s GLY 110 N -1.40 1.70 -0.03 -3.33 0.00 -1.26 -1.75 107.32 101.25 3kni s GLY 110 Ca 0.63 -1.31 0.15 0.00 0.00 0.00 0.00 44.72 44.20 3kni s GLY 110 CO 0.34 1.56 1.39 0.54 0.00 0.00 0.00 173.10 176.93 3kni n ARG 111 N 6.34 2.49 0.00 2.90 1.74 -0.83 -4.93 116.66 124.37 3kni n ARG 111 Ca -0.02 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 3kni n ARG 111 Cb 0.47 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3kni n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 112 N 1.19 2.40 3.53 -0.13 0.00 -1.05 -3.79 105.19 107.34 3kni n GLY 112 Ca 0.18 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3kni n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kni s PHE 113 N 0.00 3.06 -0.27 1.61 5.99 -1.26 0.33 117.98 127.44 3kni s PHE 113 Ca 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 56.93 55.10 3kni s PHE 113 Cb 0.00 -4.56 -0.03 0.00 0.00 0.00 0.00 43.02 38.43 3kni s PHE 113 CO 0.00 -1.64 0.11 0.00 -0.00 0.00 0.00 175.22 173.69 3kni s ALA 114 N 3.18 3.27 1.26 11.12 0.00 -1.05 -4.86 121.76 134.68 3kni s ALA 114 Ca 0.48 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 3kni s ALA 114 Cb 0.01 -2.23 0.32 0.00 0.00 0.00 0.00 23.12 21.22 3kni s ALA 114 CO 0.02 -0.56 0.99 0.20 0.00 0.00 0.00 175.76 176.41 3kni s GLY 115 N 1.65 1.50 0.46 0.00 0.00 -1.26 -4.04 107.32 105.63 3kni s GLY 115 Ca 0.06 -0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 3kni s GLY 115 CO 0.06 0.51 0.87 1.55 0.00 0.00 0.00 173.10 176.09 3kni n VAL 116 N -5.21 2.48 -1.27 1.40 3.14 -1.26 -3.59 118.33 114.02 3kni n VAL 116 Ca 0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 3kni n VAL 116 Cb 0.56 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.34 3kni n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3kni n MET 117 N 0.04 0.00 0.00 1.45 0.00 -1.26 -4.76 117.12 112.59 3kni n MET 117 Ca 0.11 0.42 0.00 0.00 -0.00 0.00 0.00 57.70 58.23 3kni n MET 117 Cb 0.41 -1.13 0.00 0.00 0.00 0.00 0.00 33.22 32.50 3kni n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3kni n LYS 118 N -0.28 0.00 -0.09 2.12 0.00 -1.26 -4.78 118.16 113.88 3kni n LYS 118 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 3kni n LYS 118 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 3kni n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3kni h ARG 119 N 0.00 0.45 0.00 1.64 1.12 -1.78 -3.35 114.38 112.47 3kni h ARG 119 Ca 0.00 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 3kni h ARG 119 Cb 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 3kni h ARG 119 CO 0.00 0.58 -0.23 0.91 -3.11 0.00 0.00 179.97 178.12 3kni n TRP 120 N -4.65 0.00 -2.13 2.20 7.02 -1.26 -5.02 117.44 113.59 3kni n TRP 120 Ca -0.03 -0.47 -0.15 0.00 -1.02 0.00 0.00 57.50 55.83 3kni n TRP 120 Cb 0.22 -0.09 -0.02 0.00 -2.42 0.00 0.00 31.31 28.99 3kni n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3kni n ASN 121 N -0.67 -4.38 -4.77 -0.99 5.03 -1.26 -4.67 115.26 103.56 3kni n ASN 121 Ca 0.07 0.20 -0.39 0.00 0.87 0.00 0.00 54.58 55.34 3kni n ASN 121 Cb 0.64 -3.78 -0.00 0.00 -1.02 0.00 0.00 39.78 35.62 3kni n ASN 121 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3kni s PHE 122 N -2.61 2.82 -0.29 3.10 0.40 -1.26 -4.85 117.98 115.29 3kni s PHE 122 Ca 0.00 1.46 0.28 0.00 -0.60 0.00 0.00 56.93 58.06 3kni s PHE 122 Cb 0.00 -3.58 1.04 0.00 0.51 0.00 0.00 43.02 41.00 3kni s PHE 122 CO 0.00 -1.92 1.81 0.00 0.70 0.00 0.00 175.22 175.81 3kni h ALA 123 N 2.41 1.00 -1.37 5.36 0.00 -1.93 -3.40 119.26 121.34 3kni h ALA 123 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kni h ALA 123 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kni h ALA 123 CO 0.61 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.27 3kni n GLY 124 N 0.29 0.11 3.97 0.00 0.00 -1.26 -4.86 105.19 103.43 3kni n GLY 124 Ca 0.02 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 3kni n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kni s GLY 125 N -4.68 1.76 0.03 -0.02 0.00 0.33 -4.90 107.32 99.83 3kni s GLY 125 Ca 0.00 -1.49 -0.22 0.00 0.00 0.00 0.00 44.72 43.01 3kni s GLY 125 CO 0.00 -0.92 0.67 -4.14 0.00 0.00 0.00 173.10 168.71 3kni s PRO 126 N -5.29 4.39 0.39 2.90 0.02 -1.26 -4.74 135.00 131.40 3kni s PRO 126 Ca 0.67 0.89 0.17 0.00 0.02 0.00 0.00 61.00 62.74 3kni s PRO 126 Cb -0.06 -3.34 0.80 0.00 0.02 0.00 0.00 34.50 31.93 3kni s PRO 126 CO 0.46 0.37 1.83 -0.44 -0.33 0.00 0.00 177.00 178.88 3kni h ASP 127 N 5.49 0.00 -2.00 2.53 5.19 -1.92 -3.45 116.42 122.26 3kni h ASP 127 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3kni h ASP 127 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3kni h ASP 127 CO 0.69 0.35 0.00 -1.54 -3.12 0.00 0.00 179.24 175.62 3kni n SER 128 N -3.85 1.72 0.00 6.45 3.41 -1.26 -4.91 113.62 115.17 3kni n SER 128 Ca -0.01 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 3kni n SER 128 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3kni n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kni n HIS 129 N 0.00 0.00 -1.61 7.33 8.25 -1.26 -4.61 115.22 123.33 3kni n HIS 129 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3kni n HIS 129 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 3kni n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kni n GLY 130 N 0.00 -0.12 2.80 -1.41 0.00 -1.26 -4.90 105.19 100.29 3kni n GLY 130 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 3kni n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 131 N 0.24 3.25 -3.51 4.61 0.00 -1.26 -4.92 120.51 118.91 3kni n ALA 131 Ca 0.09 -0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 3kni n ALA 131 Cb 0.33 -0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 3kni n ALA 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kni s HIS 132 N -2.00 1.66 0.00 0.00 2.46 -1.26 -4.71 115.29 111.44 3kni s HIS 132 Ca 0.07 -2.56 0.00 0.00 0.47 0.00 0.00 55.06 53.04 3kni s HIS 132 Cb 0.01 -1.34 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 3kni s HIS 132 CO 0.11 -0.76 0.19 1.63 -2.47 0.00 0.00 174.74 173.43 3kni n LYS 133 N 2.65 0.00 -3.21 2.88 5.02 -1.26 -5.03 118.16 119.22 3kni n LYS 133 Ca 0.27 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 3kni n LYS 133 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.40 3kni n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kni n ILE 134 N 0.00 -0.07 -0.09 -0.18 -0.00 -1.26 -4.94 119.36 112.82 3kni n ILE 134 Ca 0.00 -4.35 -0.20 0.00 -0.00 0.00 0.00 62.75 58.21 3kni n ILE 134 Cb 0.42 -1.58 -0.12 0.00 -0.00 0.00 0.00 39.64 38.36 3kni n ILE 134 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kni n HIS 135 N 1.03 0.37 -1.26 4.28 8.25 -1.26 -3.14 115.22 123.49 3kni n HIS 135 Ca 0.23 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 3kni n HIS 135 Cb 0.54 -1.05 0.22 0.00 1.12 0.00 0.00 29.99 30.82 3kni n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kni n ARG 136 N -3.40 2.27 -3.03 -0.41 1.74 -1.26 0.12 116.66 112.69 3kni n ARG 136 Ca -0.42 -3.03 -0.37 0.00 -0.77 0.00 0.00 57.85 53.26 3kni n ARG 136 Cb 0.99 -1.84 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 3kni n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kni s HIS 137 N -3.08 3.69 0.53 -1.55 3.76 -1.26 -4.73 115.29 112.65 3kni s HIS 137 Ca 0.44 1.49 0.26 0.00 -0.15 0.00 0.00 55.06 57.10 3kni s HIS 137 Cb 0.38 -2.69 1.41 0.00 1.11 0.00 0.00 32.58 32.79 3kni s HIS 137 CO 0.04 0.34 1.98 -1.00 -0.85 0.00 0.00 174.74 175.25 3kni h PRO 138 N 3.50 0.00 0.00 8.40 0.13 -1.96 -3.39 132.00 138.68 3kni h PRO 138 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kni h PRO 138 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kni h PRO 138 CO 0.65 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 3kni n GLY 139 N -1.65 0.97 3.86 1.56 0.00 -1.26 -4.90 105.19 103.77 3kni n GLY 139 Ca 0.11 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 3kni n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kni s SER 140 N -4.00 6.65 -0.18 1.61 1.04 -1.26 -5.02 113.70 112.54 3kni s SER 140 Ca 0.00 0.79 0.16 0.00 0.48 0.00 0.00 55.95 57.39 3kni s SER 140 Cb 0.00 -2.18 0.47 0.00 0.10 0.00 0.00 66.02 64.41 3kni s SER 140 CO 0.00 0.21 1.36 2.30 0.98 0.00 0.00 173.24 178.09 3kni n ILE 141 N 1.12 2.22 -2.81 -1.02 -5.35 -1.26 -5.08 119.36 107.18 3kni n ILE 141 Ca -0.10 -2.08 0.00 0.00 -0.27 0.00 0.00 62.75 60.30 3kni n ILE 141 Cb 0.52 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 3kni n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kni n GLY 142 N -0.81 -1.44 0.00 3.28 0.00 -1.26 -4.67 105.19 100.29 3kni n GLY 142 Ca 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3kni n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kni n ASN 143 N 1.43 0.00 0.00 1.61 5.03 -1.26 -5.09 115.26 116.97 3kni n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3kni n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3kni n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kni n ARG 144 N 0.00 0.89 -0.11 3.52 5.12 -1.26 -4.69 116.66 120.13 3kni n ARG 144 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 3kni n ARG 144 Cb 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3kni n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3kni h LYS 145 N 0.00 -0.19 -5.15 5.56 1.79 -2.01 -1.49 116.57 115.08 3kni h LYS 145 Ca 0.00 0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.83 3kni h LYS 145 Cb 0.00 0.04 -0.27 0.00 -1.58 0.00 0.00 32.23 30.42 3kni h LYS 145 CO 0.00 -0.13 -0.74 0.95 -1.08 0.00 0.00 179.45 178.45 3kni s THR 146 N -6.08 3.22 0.36 -0.16 -4.23 -1.26 -0.15 115.64 107.35 3kni s THR 146 Ca -0.15 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 3kni s THR 146 Cb 0.14 -2.41 0.26 0.00 1.34 0.00 0.00 72.50 71.82 3kni s THR 146 CO 0.69 0.48 2.01 1.55 -0.54 0.00 0.00 174.62 178.81 3kni h PRO 147 N 7.44 0.74 -3.65 3.99 0.13 -1.92 -3.45 132.00 135.28 3kni h PRO 147 Ca -0.35 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 3kni h PRO 147 Cb 1.18 -0.16 0.08 0.00 0.13 0.00 0.00 31.00 32.23 3kni h PRO 147 CO 0.59 0.51 -0.37 0.41 -0.23 0.00 0.00 178.00 178.91 3kni n GLY 148 N -1.41 0.11 0.00 1.56 0.00 0.79 -4.98 105.19 101.27 3kni n GLY 148 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kni n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kni n ARG 149 N -2.68 -1.22 -4.24 1.61 1.85 -1.26 -4.98 116.66 105.74 3kni n ARG 149 Ca -0.07 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.51 3kni n ARG 149 Cb 0.56 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.89 3kni n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3kni s VAL 150 N -2.00 3.54 0.30 8.89 1.01 -1.26 -4.66 120.40 126.23 3kni s VAL 150 Ca 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 3kni s VAL 150 Cb 0.00 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.67 3kni s VAL 150 CO 0.00 -0.14 0.19 -1.22 0.00 0.00 0.00 175.10 173.93 3kni n TYR 151 N -0.18 -2.50 0.00 5.22 4.01 -1.26 -5.06 117.16 117.39 3kni n TYR 151 Ca -0.10 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 3kni n TYR 151 Cb 0.56 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 3kni n TYR 151 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3kni n LYS 152 N -2.71 0.00 -0.43 -0.72 3.00 -1.26 -4.44 118.16 111.60 3kni n LYS 152 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.29 3kni n LYS 152 Cb 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 35.03 34.88 3kni n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kni n GLY 153 N 2.61 1.86 3.62 3.14 0.00 -1.26 -4.86 105.19 110.30 3kni n GLY 153 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 3kni n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kni s LYS 154 N 1.82 3.59 -0.09 1.61 2.47 -1.26 -4.94 119.74 122.94 3kni s LYS 154 Ca 0.25 1.78 -0.31 0.00 -1.56 0.00 0.00 55.97 56.14 3kni s LYS 154 Cb 0.12 -4.16 -0.09 0.00 -1.46 0.00 0.00 37.83 32.25 3kni s LYS 154 CO 0.00 -1.56 2.04 1.63 0.16 0.00 0.00 175.35 177.63 3kni n LYS 155 N 8.06 2.33 -1.03 4.03 5.02 -1.26 -4.91 118.16 130.40 3kni n LYS 155 Ca 0.22 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 3kni n LYS 155 Cb 0.45 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 3kni n LYS 155 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kni n MET 156 N 7.74 0.05 0.00 1.97 2.81 -1.26 -5.04 117.12 123.39 3kni n MET 156 Ca 0.25 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3kni n MET 156 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 3kni n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kni n ALA 157 N -3.00 0.00 0.00 3.04 0.00 -1.26 -4.32 120.51 114.97 3kni n ALA 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kni n ALA 157 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kni n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 158 N 0.90 3.49 3.65 0.00 0.00 -1.26 -4.84 105.19 107.12 3kni n GLY 158 Ca 0.00 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 3kni n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kni n HIS 159 N -1.18 1.32 -3.79 1.61 -0.00 -1.25 -2.52 115.22 109.42 3kni n HIS 159 Ca 0.00 0.47 -0.13 0.00 -0.00 0.00 0.00 57.72 58.07 3kni n HIS 159 Cb 0.00 -2.23 -0.12 0.00 -0.00 0.00 0.00 29.99 27.64 3kni n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3kni s TYR 160 N -1.38 -0.26 0.00 1.57 6.04 0.99 -4.84 117.35 119.48 3kni s TYR 160 Ca 0.70 0.62 0.00 0.00 0.04 0.00 0.00 57.07 58.43 3kni s TYR 160 Cb -0.46 0.08 0.00 0.00 -1.04 0.00 0.00 41.96 40.53 3kni s TYR 160 CO 0.51 -0.13 0.00 0.41 -1.54 0.00 0.00 175.55 174.80 3kni n GLY 161 N 3.13 -1.84 3.97 8.97 0.00 -1.26 -1.97 105.19 116.19 3kni n GLY 161 Ca -0.14 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 3kni n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 162 N 0.38 -1.78 -2.61 4.61 0.00 -0.69 -4.80 120.51 115.62 3kni n ALA 162 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3kni n ALA 162 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.07 3kni n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kni s GLU 163 N -6.57 2.00 -0.10 0.00 -1.05 -1.25 -4.81 118.70 106.92 3kni s GLU 163 Ca 0.23 -2.22 -0.28 0.00 -0.15 0.00 0.00 54.97 52.54 3kni s GLU 163 Cb -0.12 -1.11 -0.02 0.00 -0.44 0.00 0.00 34.13 32.44 3kni s GLU 163 CO 0.88 -0.35 0.94 0.50 0.95 0.00 0.00 175.26 178.19 3kni s ARG 164 N -3.80 4.42 -0.02 -4.83 3.52 -1.26 -0.37 118.95 116.62 3kni s ARG 164 Ca 0.20 1.28 -0.01 0.00 -0.13 0.00 0.00 55.73 57.06 3kni s ARG 164 Cb 0.04 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3kni s ARG 164 CO 0.11 -0.25 0.04 0.08 -0.81 0.00 0.00 175.30 174.47 3kni s VAL 165 N 1.81 -0.00 -0.28 7.11 1.01 -0.59 -4.93 120.40 124.53 3kni s VAL 165 Ca 0.46 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.47 3kni s VAL 165 Cb -0.18 -0.07 0.08 0.00 0.00 0.00 0.00 36.38 36.20 3kni s VAL 165 CO 0.18 0.01 0.01 -0.89 0.00 0.00 0.00 175.10 174.41 3kni s THR 166 N 0.11 1.55 0.30 3.92 2.01 -1.25 -0.40 115.64 121.87 3kni s THR 166 Ca -0.01 -1.53 -0.27 0.00 0.31 0.00 0.00 61.69 60.20 3kni s THR 166 Cb -0.01 -1.97 -0.10 0.00 0.01 0.00 0.00 72.50 70.43 3kni s THR 166 CO -0.00 -0.36 0.94 0.68 -0.69 0.00 0.00 174.62 175.19 3kni s VAL 167 N 1.33 4.18 0.29 3.82 -7.23 0.40 -4.87 120.40 118.33 3kni s VAL 167 Ca 0.02 1.89 0.07 0.00 -1.81 0.00 0.00 61.98 62.15 3kni s VAL 167 Cb -0.18 -4.09 -0.03 0.00 0.56 0.00 0.00 36.38 32.63 3kni s VAL 167 CO -0.11 0.23 0.26 -0.04 -0.31 0.00 0.00 175.10 175.14 3kni s MET 168 N -1.83 2.89 -1.32 4.82 -1.94 -1.26 -1.88 119.30 118.79 3kni s MET 168 Ca 0.48 -1.13 -0.00 0.00 -1.71 0.00 0.00 55.69 53.32 3kni s MET 168 Cb -0.20 -2.56 -0.00 0.00 2.01 0.00 0.00 34.83 34.07 3kni s MET 168 CO 0.26 0.26 0.66 -1.71 -0.01 0.00 0.00 175.02 174.47 3kni n ASN 169 N -1.30 -1.13 -4.68 3.03 5.15 0.17 -4.94 115.26 111.55 3kni n ASN 169 Ca -0.05 -0.85 -0.42 0.00 -0.60 0.00 0.00 54.58 52.66 3kni n ASN 169 Cb 0.59 -3.91 -0.03 0.00 -0.53 0.00 0.00 39.78 35.90 3kni n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kni s LEU 170 N -6.70 4.21 0.17 1.20 1.02 0.48 -4.46 118.68 114.60 3kni s LEU 170 Ca 0.01 1.32 -0.32 0.00 0.02 0.00 0.00 54.13 55.16 3kni s LEU 170 Cb -0.00 -3.36 -0.10 0.00 0.02 0.00 0.00 46.19 42.75 3kni s LEU 170 CO 0.82 -0.41 1.57 -0.70 0.02 0.00 0.00 176.35 177.65 3kni s GLU 171 N 2.08 4.21 -0.25 1.70 2.12 -1.26 0.21 118.70 127.51 3kni s GLU 171 Ca 0.42 2.36 -0.25 0.00 0.36 0.00 0.00 54.97 57.87 3kni s GLU 171 Cb -0.17 -3.15 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 3kni s GLU 171 CO 0.14 -0.60 0.86 0.08 -0.54 0.00 0.00 175.26 175.20 3kni s VAL 172 N 1.11 4.81 0.21 3.70 1.01 0.16 -3.14 120.40 128.25 3kni s VAL 172 Ca 0.70 1.60 0.08 0.00 0.00 0.00 0.00 61.98 64.36 3kni s VAL 172 Cb -0.44 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3kni s VAL 172 CO 0.32 -0.11 0.00 -0.69 0.00 0.00 0.00 175.10 174.62 3kni s VAL 173 N 2.91 3.63 0.00 2.92 1.01 -0.82 -2.01 120.40 128.04 3kni s VAL 173 Ca 0.36 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.74 3kni s VAL 173 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3kni s VAL 173 CO 0.08 -0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.29 3kni n ASP 174 N -0.43 0.00 -4.20 3.32 4.64 -1.26 -3.38 116.55 115.23 3kni n ASP 174 Ca -0.09 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.00 3kni n ASP 174 Cb 0.57 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.48 3kni n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3kni s VAL 175 N 0.00 2.09 -1.14 5.18 -7.23 -1.26 -3.03 120.40 115.00 3kni s VAL 175 Ca 0.00 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.08 3kni s VAL 175 Cb 0.00 -1.81 0.25 0.00 0.56 0.00 0.00 36.38 35.38 3kni s VAL 175 CO 0.00 0.55 1.20 -0.38 -0.31 0.00 0.00 175.10 176.17 3kni n ILE 176 N 3.77 4.51 -0.42 -0.62 -0.00 -0.29 -4.91 119.36 121.40 3kni n ILE 176 Ca -0.19 -5.24 0.40 0.00 -0.00 0.00 0.00 62.75 57.72 3kni n ILE 176 Cb 0.52 -2.55 0.75 0.00 -0.00 0.00 0.00 39.64 38.36 3kni n ILE 176 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 3kni h PRO 177 N 6.73 0.00 -0.59 0.38 0.13 -1.96 -1.08 132.00 135.61 3kni h PRO 177 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 3kni h PRO 177 Cb 0.87 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 3kni h PRO 177 CO 1.08 0.00 0.24 1.49 -0.23 0.00 0.00 178.00 180.58 3kni h GLU 178 N 0.00 0.87 -0.19 0.86 4.81 -1.95 -3.30 114.58 115.68 3kni h GLU 178 Ca 0.67 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 3kni h GLU 178 Cb 2.77 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 32.01 3kni h GLU 178 CO -0.01 0.74 0.00 -1.91 -0.73 0.00 0.00 179.01 177.10 3kni n GLU 179 N -4.49 2.45 -2.33 1.92 4.07 -0.45 -4.98 120.64 116.83 3kni n GLU 179 Ca 0.03 -1.70 -0.11 0.00 -0.06 0.00 0.00 57.16 55.32 3kni n GLU 179 Cb 0.16 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 3kni n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kni n ASN 180 N 0.19 -3.66 -4.77 4.31 3.02 -0.94 -4.93 115.26 108.47 3kni n ASN 180 Ca 0.07 -0.05 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 3kni n ASN 180 Cb 0.33 -2.80 -0.08 0.00 -0.61 0.00 0.00 39.78 36.63 3kni n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kni s LEU 181 N -3.28 4.17 -0.02 3.41 2.01 -1.20 -2.37 118.68 121.40 3kni s LEU 181 Ca 0.04 0.30 0.08 0.00 0.01 0.00 0.00 54.13 54.56 3kni s LEU 181 Cb -0.02 -2.04 -0.02 0.00 0.01 0.00 0.00 46.19 44.12 3kni s LEU 181 CO 0.05 0.29 -0.26 -0.22 1.01 0.00 0.00 176.35 177.23 3kni s LEU 182 N -0.31 2.06 0.09 1.79 2.96 -0.73 -1.14 118.68 123.41 3kni s LEU 182 Ca 0.10 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 3kni s LEU 182 Cb -0.12 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3kni s LEU 182 CO 0.01 0.32 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.53 3kni s LEU 183 N -0.62 3.19 0.30 -0.68 1.02 -1.17 -0.28 118.68 120.44 3kni s LEU 183 Ca 0.10 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 3kni s LEU 183 Cb -0.10 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 3kni s LEU 183 CO -0.01 0.19 0.41 -0.69 0.02 0.00 0.00 176.35 176.26 3kni s VAL 184 N -1.22 0.00 -0.18 -1.59 1.01 0.10 -1.95 120.40 116.57 3kni s VAL 184 Ca 0.22 -1.66 -0.06 0.00 0.00 0.00 0.00 61.98 60.48 3kni s VAL 184 Cb -0.11 -2.52 -0.24 0.00 0.00 0.00 0.00 36.38 33.51 3kni s VAL 184 CO 0.15 0.00 3.41 0.29 0.00 0.00 0.00 175.10 178.94 3kni n LYS 185 N -0.49 2.09 0.00 2.72 4.76 -1.19 -0.95 118.16 125.10 3kni n LYS 185 Ca 0.01 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.37 3kni n LYS 185 Cb 0.62 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 3kni n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kni n GLY 186 N 2.65 0.90 0.00 0.72 0.00 -1.20 -4.74 105.19 103.52 3kni n GLY 186 Ca 0.45 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.92 3kni n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 187 N 4.76 0.00 -0.37 4.61 0.00 -1.26 -4.61 120.51 123.64 3kni n ALA 187 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3kni n ALA 187 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3kni n ALA 187 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kni n VAL 188 N 0.00 0.02 -0.86 0.00 3.14 -1.26 -4.96 118.33 114.41 3kni n VAL 188 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3kni n VAL 188 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3kni n VAL 188 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3kni n PRO 189 N 0.36 0.89 -1.22 1.45 -0.04 -1.26 -5.04 135.00 130.13 3kni n PRO 189 Ca 0.05 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.66 3kni n PRO 189 Cb 0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.41 3kni n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kni n GLY 190 N 5.00 -2.83 3.92 0.55 0.00 -1.26 -4.86 105.19 105.71 3kni n GLY 190 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3kni n GLY 190 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kni s PRO 191 N -3.47 1.43 0.24 1.61 0.02 -1.26 -4.79 135.00 128.77 3kni s PRO 191 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 61.00 60.49 3kni s PRO 191 Cb 0.00 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 3kni s PRO 191 CO 0.00 -1.88 1.04 -0.80 -0.33 0.00 0.00 177.00 175.02 3kni s ASN 192 N -4.71 7.41 0.00 2.53 0.02 -1.26 -2.21 114.94 116.72 3kni s ASN 192 Ca 0.67 2.10 0.00 0.00 -1.02 0.00 0.00 52.86 54.61 3kni s ASN 192 Cb -0.08 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.58 3kni s ASN 192 CO 0.50 -0.05 0.00 0.61 0.02 0.00 0.00 177.10 178.18 3kni n GLY 193 N 1.50 1.01 3.82 0.66 0.00 0.16 -4.96 105.19 107.38 3kni n GLY 193 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kni n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kni s GLY 194 N -2.00 2.20 0.58 -0.02 0.00 -0.94 -4.75 107.32 102.39 3kni s GLY 194 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 3kni s GLY 194 CO 0.00 0.62 1.04 -2.27 0.00 0.00 0.00 173.10 172.49 3kni s LEU 195 N -3.94 3.52 0.03 0.66 2.96 -1.26 -1.95 118.68 118.69 3kni s LEU 195 Ca 0.62 1.75 -0.21 0.00 -0.22 0.00 0.00 54.13 56.07 3kni s LEU 195 Cb -0.12 -4.53 0.04 0.00 0.50 0.00 0.00 46.19 42.09 3kni s LEU 195 CO 0.28 -1.03 0.47 0.68 -1.32 0.00 0.00 176.35 175.43 3kni s VAL 196 N -2.52 0.04 -0.03 1.68 -7.23 -0.96 -4.23 120.40 107.16 3kni s VAL 196 Ca 0.62 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.52 3kni s VAL 196 Cb -0.14 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 3kni s VAL 196 CO 0.36 -0.18 -0.17 -0.51 -0.31 0.00 0.00 175.10 174.30 3kni s ILE 197 N -2.15 1.34 -0.44 -0.62 2.07 0.07 -3.36 121.20 118.11 3kni s ILE 197 Ca -0.07 -0.70 -0.05 0.00 -1.41 0.00 0.00 60.65 58.42 3kni s ILE 197 Cb -0.01 -1.13 0.12 0.00 0.13 0.00 0.00 42.46 41.56 3kni s ILE 197 CO 0.00 0.38 0.26 -0.69 -1.91 0.00 0.00 174.94 172.99 3kni s VAL 198 N -0.17 3.60 0.26 4.00 1.01 -0.67 -2.20 120.40 126.22 3kni s VAL 198 Ca 0.02 -2.01 0.02 0.00 0.00 0.00 0.00 61.98 60.00 3kni s VAL 198 Cb -0.09 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3kni s VAL 198 CO 0.01 -0.73 0.42 -0.13 0.00 0.00 0.00 175.10 174.67 3kni s ARG 199 N 1.16 3.48 0.00 2.72 0.52 -1.04 -3.33 118.95 122.46 3kni s ARG 199 Ca 0.08 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 3kni s ARG 199 Cb -0.24 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.42 3kni s ARG 199 CO -0.03 0.34 0.00 -0.85 0.02 0.00 0.00 175.30 174.78 3kni n GLU 200 N -1.26 2.47 -4.12 3.54 0.00 -0.36 -2.02 120.64 118.88 3kni n GLU 200 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 56.99 3kni n GLU 200 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.89 3kni n GLU 200 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3kni s THR 201 N 0.00 0.55 -1.62 3.84 -1.32 -1.26 -0.57 115.64 115.26 3kni s THR 201 Ca 0.00 -1.64 0.18 0.00 -1.21 0.00 0.00 61.69 59.01 3kni s THR 201 Cb 0.00 -1.31 0.45 0.00 -1.51 0.00 0.00 72.50 70.13 3kni s THR 201 CO 0.00 -0.75 1.37 0.29 -2.21 0.00 0.00 174.62 173.32 3kni n LYS 202 N 0.45 2.62 0.00 7.08 4.01 -1.26 -4.49 118.16 126.57 3kni n LYS 202 Ca -0.16 -2.29 0.01 0.00 -0.51 0.00 0.00 58.31 55.37 3kni n LYS 202 Cb 0.59 -1.43 0.06 0.00 -0.51 0.00 0.00 35.03 33.74 3kni n LYS 202 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3kni n LYS 203 N 1.14 0.03 0.07 1.97 -0.00 -1.26 -4.09 118.16 116.02 3kni n LYS 203 Ca 0.18 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 3kni n LYS 203 Cb 0.53 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 3kni n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kni n ALA 204 N -1.35 3.00 0.00 0.58 0.00 -1.26 -5.22 120.51 116.27 3kni n ALA 204 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kni n ALA 204 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3kni n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50