#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b s LYS 2 N 0.00 3.60 -0.29 2.12 1.02 -1.26 -4.65 119.74 120.27 3d5b s LYS 2 Ca 0.00 2.28 -0.12 0.00 0.02 0.00 0.00 55.97 58.15 3d5b s LYS 2 Cb 0.00 -2.55 0.12 0.00 -0.52 0.00 0.00 37.83 34.88 3d5b s LYS 2 CO 0.00 -0.84 0.69 0.20 -0.92 0.00 0.00 175.35 174.49 3d5b s GLY 3 N -0.73 -0.65 -0.07 -3.33 0.00 -1.26 -3.25 107.32 98.04 3d5b s GLY 3 Ca 0.63 2.44 -0.08 0.00 0.00 0.00 0.00 44.72 47.72 3d5b s GLY 3 CO 0.51 2.90 0.21 -1.50 0.00 0.00 0.00 173.10 175.23 3d5b s ILE 4 N 2.51 0.01 0.76 0.90 1.10 -0.88 -5.00 121.20 120.59 3d5b s ILE 4 Ca -0.07 -0.07 -0.09 0.00 -0.51 0.00 0.00 60.65 59.90 3d5b s ILE 4 Cb -0.10 -0.33 0.07 0.00 0.15 0.00 0.00 42.46 42.26 3d5b s ILE 4 CO -0.19 -0.04 1.10 -0.76 -2.11 0.00 0.00 174.94 172.94 3d5b s LEU 5 N -0.06 2.66 0.00 8.50 1.43 -1.26 -1.72 118.68 128.23 3d5b s LEU 5 Ca -0.02 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3d5b s LEU 5 Cb -0.02 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3d5b s LEU 5 CO 0.01 -1.76 0.00 0.61 0.23 0.00 0.00 176.35 175.44 3d5b n GLY 6 N -3.12 -0.66 3.05 -3.19 0.00 -0.70 -4.41 105.19 96.15 3d5b n GLY 6 Ca 0.08 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 3d5b n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d5b s VAL 7 N -2.00 0.69 -0.06 1.61 -7.23 -1.09 -0.49 120.40 111.83 3d5b s VAL 7 Ca 0.00 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 3d5b s VAL 7 Cb 0.00 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 3d5b s VAL 7 CO 0.00 -0.02 1.55 -0.75 -0.31 0.00 0.00 175.10 175.56 3d5b s LYS 8 N -0.78 4.20 -0.02 4.82 2.20 -1.20 -1.96 119.74 127.01 3d5b s LYS 8 Ca -0.01 2.07 0.18 0.00 -0.36 0.00 0.00 55.97 57.85 3d5b s LYS 8 Cb -0.06 -3.87 -0.27 0.00 -1.51 0.00 0.00 37.83 32.12 3d5b s LYS 8 CO 0.00 -0.78 0.48 1.33 -0.36 0.00 0.00 175.35 176.03 3d5b n VAL 9 N 5.32 0.00 0.00 4.02 0.24 -0.24 -0.93 118.33 126.74 3d5b n VAL 9 Ca 0.16 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3d5b n VAL 9 Cb 0.43 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3d5b n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d5b n GLY 10 N 1.44 0.59 3.44 7.63 0.00 -1.20 -4.96 105.19 112.13 3d5b n GLY 10 Ca -0.02 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 3d5b n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3d5b s MET 11 N -1.22 0.53 0.00 1.61 0.23 -1.26 0.39 119.30 119.58 3d5b s MET 11 Ca 0.00 1.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.67 3d5b s MET 11 Cb 0.00 0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.40 3d5b s MET 11 CO 0.00 -0.16 0.00 0.25 -2.03 0.00 0.00 175.02 173.08 3d5b n THR 12 N 4.39 0.00 -4.41 3.16 -2.24 -1.06 -4.98 114.28 109.14 3d5b n THR 12 Ca -0.21 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 3d5b n THR 12 Cb 0.56 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.66 3d5b n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d5b s ARG 13 N 1.40 0.98 0.28 -0.78 1.70 -1.26 -0.82 118.95 120.45 3d5b s ARG 13 Ca 0.00 -0.71 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 3d5b s ARG 13 Cb 0.00 -0.98 0.02 0.00 -0.57 0.00 0.00 34.95 33.42 3d5b s ARG 13 CO 0.00 0.25 0.17 0.44 -1.08 0.00 0.00 175.30 175.08 3d5b n ILE 14 N 2.06 0.00 -3.89 4.99 -6.64 -0.82 -4.94 119.36 110.12 3d5b n ILE 14 Ca -0.17 -1.15 -0.30 0.00 -1.77 0.00 0.00 62.75 59.36 3d5b n ILE 14 Cb 0.55 -0.16 -0.16 0.00 -1.44 0.00 0.00 39.64 38.43 3d5b n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 3d5b s PHE 15 N -1.51 2.24 0.00 4.28 0.08 -1.26 -1.82 117.98 119.99 3d5b s PHE 15 Ca 0.13 -1.75 0.00 0.00 0.12 0.00 0.00 56.93 55.43 3d5b s PHE 15 Cb -0.01 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 3d5b s PHE 15 CO 0.08 -0.78 0.00 -2.13 -0.10 0.00 0.00 175.22 172.29 3d5b n ARG 16 N 4.71 0.00 -0.08 0.44 3.00 0.11 -4.72 116.66 120.13 3d5b n ARG 16 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.67 3d5b n ARG 16 Cb 0.44 -0.15 -0.08 0.00 0.00 0.00 0.00 32.46 32.67 3d5b n ARG 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3d5b n ASP 17 N 0.00 2.52 -0.34 6.15 5.75 -1.26 -4.84 116.55 124.54 3d5b n ASP 17 Ca 0.00 -0.06 -0.00 0.00 -0.01 0.00 0.00 54.79 54.72 3d5b n ASP 17 Cb 0.00 0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3d5b n ASP 17 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3d5b n ASP 18 N -2.84 -0.01 -4.15 -1.12 8.00 -1.26 -5.13 116.55 110.03 3d5b n ASP 18 Ca -0.26 -0.66 -0.17 0.00 0.71 0.00 0.00 54.79 54.40 3d5b n ASP 18 Cb 0.83 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.82 3d5b n ASP 18 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3d5b s ARG 19 N 0.00 0.77 -0.01 -1.24 3.52 -1.26 -5.14 118.95 115.59 3d5b s ARG 19 Ca 0.00 -0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 54.47 3d5b s ARG 19 Cb 0.00 -0.73 -0.05 0.00 -1.56 0.00 0.00 34.95 32.61 3d5b s ARG 19 CO 0.00 0.16 0.60 0.00 -0.81 0.00 0.00 175.30 175.25 3d5b s ALA 20 N -1.32 3.48 -0.14 6.12 0.00 -1.26 -0.71 121.76 127.92 3d5b s ALA 20 Ca -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 3d5b s ALA 20 Cb -0.10 -2.75 0.05 0.00 0.00 0.00 0.00 23.12 20.32 3d5b s ALA 20 CO 0.02 0.15 0.07 0.08 0.00 0.00 0.00 175.76 176.08 3d5b s VAL 21 N -0.14 0.07 0.18 0.00 1.01 -0.75 -4.93 120.40 115.82 3d5b s VAL 21 Ca 0.31 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 3d5b s VAL 21 Cb -0.18 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 3d5b s VAL 21 CO 0.17 -0.14 1.57 -2.84 0.00 0.00 0.00 175.10 173.87 3d5b s PRO 22 N 2.08 4.21 0.04 2.72 0.02 -1.26 -1.94 135.00 140.86 3d5b s PRO 22 Ca 0.02 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.44 3d5b s PRO 22 Cb -0.15 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 3d5b s PRO 22 CO -0.07 -0.61 -0.06 0.14 -0.33 0.00 0.00 177.00 176.06 3d5b s VAL 23 N 1.06 0.46 0.11 3.83 -7.23 0.00 -3.75 120.40 114.89 3d5b s VAL 23 Ca 0.70 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 3d5b s VAL 23 Cb -0.44 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 3d5b s VAL 23 CO 0.32 -0.48 0.19 0.28 -0.31 0.00 0.00 175.10 175.10 3d5b s THR 24 N -1.73 5.00 -0.27 5.32 -1.32 -0.39 -2.57 115.64 119.68 3d5b s THR 24 Ca -0.08 -0.71 -0.02 0.00 -1.21 0.00 0.00 61.69 59.67 3d5b s THR 24 Cb -0.08 -3.50 0.03 0.00 -1.51 0.00 0.00 72.50 67.45 3d5b s THR 24 CO -0.01 0.01 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.70 3d5b s VAL 25 N -1.61 3.03 0.25 5.08 1.01 0.16 -1.42 120.40 126.90 3d5b s VAL 25 Ca 0.33 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3d5b s VAL 25 Cb -0.12 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3d5b s VAL 25 CO 0.26 0.06 0.13 -0.63 0.00 0.00 0.00 175.10 174.92 3d5b s ILE 26 N 1.31 4.16 -0.24 2.22 -1.09 0.08 -1.08 121.20 126.56 3d5b s ILE 26 Ca -0.02 -1.52 0.02 0.00 -2.23 0.00 0.00 60.65 56.89 3d5b s ILE 26 Cb -0.18 -3.23 0.06 0.00 -1.58 0.00 0.00 42.46 37.53 3d5b s ILE 26 CO -0.02 -0.33 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.05 3d5b s LEU 27 N -3.72 2.81 -0.91 2.97 0.20 -0.83 -1.51 118.68 117.69 3d5b s LEU 27 Ca 0.32 -1.19 -0.00 0.00 0.69 0.00 0.00 54.13 53.95 3d5b s LEU 27 Cb -0.08 -1.33 0.29 0.00 -0.43 0.00 0.00 46.19 44.65 3d5b s LEU 27 CO 0.23 -0.20 1.26 0.00 -0.29 0.00 0.00 176.35 177.35 3d5b n ALA 28 N 4.59 4.90 -0.54 5.97 0.00 -0.02 -2.66 120.51 132.75 3d5b n ALA 28 Ca -0.13 -4.78 -0.30 0.00 0.00 0.00 0.00 53.44 48.23 3d5b n ALA 28 Cb 0.44 -1.78 0.23 0.00 0.00 0.00 0.00 19.45 18.34 3d5b n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5b n GLY 29 N 0.93 -1.96 3.68 0.00 0.00 -1.26 -4.23 105.19 102.35 3d5b n GLY 29 Ca 0.30 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.83 3d5b n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d5b n PRO 30 N -4.21 2.32 -3.84 1.61 -0.02 -1.26 -4.87 135.00 124.73 3d5b n PRO 30 Ca 0.04 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 62.01 3d5b n PRO 30 Cb 0.55 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 3d5b n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d5b s PRO 32 N 0.84 4.14 0.39 0.00 0.02 -1.26 -3.00 135.00 136.13 3d5b s PRO 32 Ca 0.11 2.56 -0.27 0.00 0.02 0.00 0.00 61.00 63.42 3d5b s PRO 32 Cb -0.22 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 3d5b s PRO 32 CO -0.05 -0.66 1.37 0.54 -0.33 0.00 0.00 177.00 177.87 3d5b s VAL 33 N 0.48 2.42 0.00 3.83 0.11 0.15 -1.61 120.40 125.78 3d5b s VAL 33 Ca 0.67 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 60.12 3d5b s VAL 33 Cb -0.48 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 3d5b s VAL 33 CO 0.41 0.08 0.00 0.52 -3.33 0.00 0.00 175.10 172.78 3d5b n VAL 34 N 0.30 0.00 -3.16 2.04 0.31 0.14 -4.91 118.33 113.05 3d5b n VAL 34 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.39 3d5b n VAL 34 Cb 0.42 -0.61 -0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3d5b n VAL 34 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3d5b s GLN 35 N -1.84 0.58 -1.08 5.55 0.74 -1.26 -4.71 119.66 117.63 3d5b s GLN 35 Ca 0.00 0.41 -0.22 0.00 0.05 0.00 0.00 55.36 55.60 3d5b s GLN 35 Cb 0.00 0.22 0.04 0.00 1.10 0.00 0.00 33.01 34.36 3d5b s GLN 35 CO 0.00 -1.04 1.61 1.03 -0.55 0.00 0.00 175.29 176.34 3d5b s ARG 36 N 2.68 3.51 -0.35 1.67 0.52 -1.26 -2.79 118.95 122.93 3d5b s ARG 36 Ca 0.12 -1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 3d5b s ARG 36 Cb -0.09 -5.36 0.01 0.00 0.52 0.00 0.00 34.95 30.03 3d5b s ARG 36 CO -0.23 -2.45 1.33 1.03 0.02 0.00 0.00 175.30 174.99 3d5b s ARG 37 N 5.11 3.79 0.53 3.54 0.52 -1.08 -4.94 118.95 126.42 3d5b s ARG 37 Ca 0.52 1.10 -0.03 0.00 -0.52 0.00 0.00 55.73 56.80 3d5b s ARG 37 Cb 0.00 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.55 3d5b s ARG 37 CO -0.03 -1.29 0.80 0.95 0.02 0.00 0.00 175.30 175.75 3d5b s THR 38 N 4.73 3.76 0.61 0.02 -4.23 -1.26 -2.54 115.64 116.73 3d5b s THR 38 Ca 0.57 -0.23 0.33 0.00 -1.18 0.00 0.00 61.69 61.19 3d5b s THR 38 Cb -0.15 -3.45 0.38 0.00 1.34 0.00 0.00 72.50 70.62 3d5b s THR 38 CO 0.27 -0.40 2.25 1.55 -0.54 0.00 0.00 174.62 177.76 3d5b h PRO 39 N 0.07 0.00 -0.07 3.99 0.13 -1.83 0.75 132.00 135.05 3d5b h PRO 39 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 3d5b h PRO 39 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3d5b h PRO 39 CO 0.59 0.00 -0.19 0.93 -0.23 0.00 0.00 178.00 179.10 3d5b h GLU 40 N 0.00 0.24 0.00 0.86 5.08 -1.92 -2.99 114.58 115.85 3d5b h GLU 40 Ca 0.01 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3d5b h GLU 40 Cb 0.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3d5b h GLU 40 CO -0.00 0.79 -0.22 0.87 -1.00 0.00 0.00 179.01 179.45 3d5b h LYS 41 N -0.26 0.00 0.00 2.33 1.57 -1.78 -3.45 116.57 114.98 3d5b h LYS 41 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d5b h LYS 41 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3d5b h LYS 41 CO 0.04 0.22 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 3d5b n ASP 42 N -3.20 0.00 0.00 0.86 8.00 0.20 -4.95 116.55 117.46 3d5b n ASP 42 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3d5b n ASP 42 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3d5b n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d5b n GLY 43 N 0.93 0.12 3.21 0.44 0.00 -1.13 -4.87 105.19 103.89 3d5b n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3d5b n GLY 43 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d5b s TYR 44 N 0.00 1.10 -0.04 1.61 1.13 -1.26 -4.65 117.35 115.23 3d5b s TYR 44 Ca 0.00 -0.83 -0.12 0.00 -1.41 0.00 0.00 57.07 54.70 3d5b s TYR 44 Cb 0.00 -0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 40.22 3d5b s TYR 44 CO 0.00 -0.03 0.32 0.95 -2.51 0.00 0.00 175.55 174.29 3d5b s THR 45 N -3.46 5.19 0.09 -3.49 -4.23 -1.26 -3.62 115.64 104.86 3d5b s THR 45 Ca 0.15 0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 61.04 3d5b s THR 45 Cb 0.04 -3.61 0.09 0.00 1.34 0.00 0.00 72.50 70.35 3d5b s THR 45 CO -0.02 0.58 1.15 0.00 -0.54 0.00 0.00 174.62 175.79 3d5b s ALA 46 N -1.00 -1.97 -0.07 3.99 0.00 -1.05 -0.01 121.76 121.63 3d5b s ALA 46 Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 3d5b s ALA 46 Cb -0.15 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.76 3d5b s ALA 46 CO 0.10 -1.09 0.17 0.08 0.00 0.00 0.00 175.76 175.02 3d5b s VAL 47 N -2.23 -0.04 -0.39 0.00 1.01 -1.21 -2.64 120.40 114.90 3d5b s VAL 47 Ca 0.23 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 3d5b s VAL 47 Cb -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.12 3d5b s VAL 47 CO 0.02 0.06 0.94 -1.10 0.00 0.00 0.00 175.10 175.02 3d5b s GLN 48 N 1.05 3.79 -0.26 2.72 -0.21 -1.12 -2.60 119.66 123.03 3d5b s GLN 48 Ca -0.08 0.52 -0.09 0.00 0.02 0.00 0.00 55.36 55.74 3d5b s GLN 48 Cb -0.10 -3.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 3d5b s GLN 48 CO -0.06 -1.01 0.11 -0.51 -2.12 0.00 0.00 175.29 171.70 3d5b s LEU 49 N 3.58 3.66 0.00 2.90 2.01 -0.17 0.24 118.68 130.90 3d5b s LEU 49 Ca 0.39 -0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.40 3d5b s LEU 49 Cb -0.11 -1.99 0.00 0.00 0.01 0.00 0.00 46.19 44.09 3d5b s LEU 49 CO 0.21 -0.03 0.00 0.61 1.01 0.00 0.00 176.35 178.15 3d5b n GLY 50 N 4.90 -1.43 0.00 -3.19 0.00 -0.63 -2.69 105.19 102.15 3d5b n GLY 50 Ca -0.15 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3d5b n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d5b n PHE 51 N -1.29 0.00 -1.61 1.61 -0.00 -0.72 -4.43 117.46 111.01 3d5b n PHE 51 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 3d5b n PHE 51 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.51 3d5b n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3d5b n LEU 52 N 0.00 3.14 0.00 -2.13 4.32 -1.26 -4.43 117.00 116.64 3d5b n LEU 52 Ca 0.00 0.92 -0.24 0.00 -0.02 0.00 0.00 56.01 56.67 3d5b n LEU 52 Cb 0.00 -1.37 0.23 0.00 -1.62 0.00 0.00 43.42 40.65 3d5b n LEU 52 CO 0.00 -1.67 0.27 -0.81 -1.22 0.00 0.00 177.39 173.96 3d5b n PRO 53 N -0.41 -4.12 -3.60 3.23 -0.04 -1.26 0.15 135.00 128.94 3d5b n PRO 53 Ca 0.11 -1.12 -0.16 0.00 -0.04 0.00 0.00 63.50 62.29 3d5b n PRO 53 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 3d5b n PRO 53 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3d5b s GLN 54 N -4.55 0.89 -0.39 0.54 -1.52 -0.87 -4.01 119.66 109.76 3d5b s GLN 54 Ca 0.52 0.39 -0.28 0.00 -1.95 0.00 0.00 55.36 54.04 3d5b s GLN 54 Cb -0.09 0.42 -0.03 0.00 -0.22 0.00 0.00 33.01 33.09 3d5b s GLN 54 CO 0.43 -0.23 1.96 -0.80 -0.25 0.00 0.00 175.29 176.40 3d5b s ASN 55 N -0.71 5.51 0.63 5.90 0.01 -1.26 -4.84 114.94 120.19 3d5b s ASN 55 Ca -0.08 1.17 0.16 0.00 -0.71 0.00 0.00 52.86 53.41 3d5b s ASN 55 Cb -0.02 -2.52 0.88 0.00 0.41 0.00 0.00 41.25 40.00 3d5b s ASN 55 CO 0.06 -2.03 1.48 -0.65 -1.51 0.00 0.00 177.10 174.45 3d5b h PRO 56 N 14.49 0.00 0.00 -0.60 0.11 -1.97 0.41 132.00 144.44 3d5b h PRO 56 Ca -0.32 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.60 3d5b h PRO 56 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3d5b h PRO 56 CO 1.07 0.00 -0.90 1.57 -0.21 0.00 0.00 178.00 179.53 3d5b h LYS 57 N 0.00 0.00 0.00 1.05 5.09 -2.03 -3.25 116.57 117.43 3d5b h LYS 57 Ca 0.00 -0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.60 3d5b h LYS 57 Cb 1.21 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.53 3d5b h LYS 57 CO 0.00 0.91 -0.63 -0.09 -2.09 0.00 0.00 179.45 177.54 3d5b h ARG 58 N 0.00 0.00 -1.09 0.07 9.65 -0.56 -3.21 114.38 119.24 3d5b h ARG 58 Ca -0.01 0.00 -0.46 0.00 -1.10 0.00 0.00 59.98 58.41 3d5b h ARG 58 Cb 1.60 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.94 3d5b h ARG 58 CO 0.12 0.63 0.59 0.28 2.80 0.00 0.00 179.97 184.39 3d5b n VAL 59 N -3.56 2.96 0.21 0.20 0.31 -1.22 -4.44 118.33 112.79 3d5b n VAL 59 Ca -0.00 -1.89 0.06 0.00 -0.01 0.00 0.00 64.34 62.50 3d5b n VAL 59 Cb 0.68 -0.86 0.28 0.00 -0.91 0.00 0.00 33.84 33.03 3d5b n VAL 59 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3d5b n ASN 60 N -0.62 0.23 -4.31 4.52 2.85 -1.21 -4.01 115.26 112.71 3d5b n ASN 60 Ca 0.48 0.59 -0.33 0.00 -0.11 0.00 0.00 54.58 55.21 3d5b n ASN 60 Cb 1.08 -0.62 0.15 0.00 1.24 0.00 0.00 39.78 41.63 3d5b n ASN 60 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3d5b n ARG 61 N -1.79 -1.14 0.09 1.20 1.74 -1.26 -4.76 116.66 110.75 3d5b n ARG 61 Ca 0.01 -0.31 0.05 0.00 -0.77 0.00 0.00 57.85 56.83 3d5b n ARG 61 Cb 0.08 -1.72 0.26 0.00 -1.02 0.00 0.00 32.46 30.06 3d5b n ARG 61 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3d5b n PRO 62 N -1.78 0.06 -0.28 5.56 -0.02 -1.26 -1.27 135.00 136.02 3d5b n PRO 62 Ca 0.02 0.51 0.30 0.00 -2.02 0.00 0.00 63.50 62.31 3d5b n PRO 62 Cb 0.60 -1.84 0.68 0.00 -0.02 0.00 0.00 33.50 32.91 3d5b n PRO 62 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3d5b h LEU 63 N 0.00 0.12 -0.45 2.45 3.38 -1.86 0.13 115.31 119.08 3d5b h LEU 63 Ca 0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3d5b h LEU 63 Cb 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 3d5b h LEU 63 CO 0.00 0.03 -0.11 0.50 0.09 0.00 0.00 178.44 178.95 3d5b h LYS 64 N 0.11 0.00 -0.70 1.13 1.63 -1.32 0.38 116.57 117.81 3d5b h LYS 64 Ca 0.53 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.29 3d5b h LYS 64 Cb 1.88 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.48 3d5b h LYS 64 CO -0.08 0.00 0.31 0.78 -3.45 0.00 0.00 179.45 177.01 3d5b h GLY 65 N 0.00 1.10 1.00 5.01 0.00 -0.98 -0.14 103.07 109.05 3d5b h GLY 65 Ca 0.22 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3d5b h GLY 65 CO -0.46 0.54 0.23 0.84 0.00 0.00 0.00 176.54 177.69 3d5b h HIS 66 N 0.98 0.92 0.10 5.60 -0.00 -0.99 0.17 115.15 121.93 3d5b h HIS 66 Ca 0.24 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3d5b h HIS 66 Cb 0.17 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 3d5b h HIS 66 CO 0.01 0.74 -0.05 0.74 -0.00 0.00 0.00 177.93 179.37 3d5b h PHE 67 N 0.84 -0.12 0.00 5.26 -1.00 -0.06 -2.79 116.94 119.07 3d5b h PHE 67 Ca 0.20 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 3d5b h PHE 67 Cb 0.21 0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 3d5b h PHE 67 CO 0.01 0.04 -0.09 0.00 -1.61 0.00 0.00 178.31 176.66 3d5b h ALA 68 N 0.63 1.56 -0.33 2.45 0.00 -0.82 0.55 119.26 123.30 3d5b h ALA 68 Ca -0.01 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3d5b h ALA 68 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d5b h ALA 68 CO 0.02 0.11 0.24 -0.22 0.00 0.00 0.00 179.25 179.40 3d5b h LYS 69 N 0.00 0.01 -0.00 0.00 3.11 -0.37 -1.43 116.57 117.89 3d5b h LYS 69 Ca -0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3d5b h LYS 69 Cb 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 3d5b h LYS 69 CO 0.01 0.00 -0.19 0.00 -2.81 0.00 0.00 179.45 176.46 3d5b n ALA 70 N -2.60 2.64 -2.63 5.00 0.00 -0.55 -5.06 120.51 117.30 3d5b n ALA 70 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 3d5b n ALA 70 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3d5b n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5b n GLY 71 N 0.95 -1.13 3.10 0.00 0.00 0.18 -5.07 105.19 103.22 3d5b n GLY 71 Ca 0.02 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.64 3d5b n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5b s VAL 72 N -2.57 0.08 0.04 1.61 1.01 -1.10 -4.99 120.40 114.48 3d5b s VAL 72 Ca 0.12 -0.67 -0.36 0.00 0.00 0.00 0.00 61.98 61.07 3d5b s VAL 72 Cb -0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 36.38 35.79 3d5b s VAL 72 CO 0.60 -0.37 1.54 1.21 0.00 0.00 0.00 175.10 178.08 3d5b n GLU 73 N 1.53 1.61 -1.47 2.72 4.07 -1.26 -4.69 120.64 123.15 3d5b n GLU 73 Ca -0.22 0.58 -0.48 0.00 -0.06 0.00 0.00 57.16 56.98 3d5b n GLU 73 Cb 0.56 -2.30 -0.07 0.00 -0.06 0.00 0.00 31.44 29.57 3d5b n GLU 73 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3d5b n PRO 74 N 3.70 1.11 -1.97 5.31 -0.04 -1.26 -4.94 135.00 136.91 3d5b n PRO 74 Ca 0.19 0.27 -0.29 0.00 -0.04 0.00 0.00 63.50 63.64 3d5b n PRO 74 Cb 0.23 -2.58 0.17 0.00 -0.04 0.00 0.00 33.50 31.28 3d5b n PRO 74 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d5b s VAL 75 N 7.95 2.01 -0.25 0.52 -7.23 -1.26 -2.04 120.40 120.10 3d5b s VAL 75 Ca 1.09 -0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 61.05 3d5b s VAL 75 Cb -0.76 -2.98 -0.15 0.00 0.56 0.00 0.00 36.38 33.05 3d5b s VAL 75 CO 0.46 0.00 -0.13 -1.14 -0.31 0.00 0.00 175.10 173.97 3d5b n ARG 76 N -3.64 0.58 -4.26 4.82 0.63 0.41 -4.72 116.66 110.48 3d5b n ARG 76 Ca 0.14 0.39 -0.20 0.00 -0.92 0.00 0.00 57.85 57.26 3d5b n ARG 76 Cb 0.60 -1.59 -0.11 0.00 0.45 0.00 0.00 32.46 31.80 3d5b n ARG 76 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3d5b s ILE 77 N -2.45 1.48 -0.25 5.15 1.01 -1.26 -4.99 121.20 119.89 3d5b s ILE 77 Ca -0.35 -1.68 -0.13 0.00 0.00 0.00 0.00 60.65 58.50 3d5b s ILE 77 Cb 0.11 -1.55 0.08 0.00 0.01 0.00 0.00 42.46 41.12 3d5b s ILE 77 CO 0.53 -0.31 0.59 -1.48 0.00 0.00 0.00 174.94 174.27 3d5b s LEU 78 N -2.31 -0.73 0.00 2.97 2.34 -1.26 -1.76 118.68 117.93 3d5b s LEU 78 Ca 0.09 1.32 0.02 0.00 0.06 0.00 0.00 54.13 55.61 3d5b s LEU 78 Cb -0.07 2.01 -0.01 0.00 -0.56 0.00 0.00 46.19 47.57 3d5b s LEU 78 CO 0.04 -0.22 0.07 0.54 -1.06 0.00 0.00 176.35 175.72 3d5b n ARG 79 N 4.56 0.81 -4.17 1.48 3.00 -1.10 -4.88 116.66 116.38 3d5b n ARG 79 Ca -0.19 -2.48 -0.22 0.00 -0.01 0.00 0.00 57.85 54.95 3d5b n ARG 79 Cb 0.56 1.15 -0.06 0.00 0.00 0.00 0.00 32.46 34.11 3d5b n ARG 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3d5b s GLU 80 N -3.15 2.60 -0.25 5.56 2.02 -1.26 -1.00 118.70 123.23 3d5b s GLU 80 Ca 0.11 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.81 3d5b s GLU 80 Cb 0.01 -2.35 0.08 0.00 0.10 0.00 0.00 34.13 31.96 3d5b s GLU 80 CO 0.07 0.34 0.06 0.42 0.02 0.00 0.00 175.26 176.17 3d5b s ILE 81 N -2.25 0.74 0.27 -1.63 -1.09 -1.07 -4.91 121.20 111.26 3d5b s ILE 81 Ca 0.33 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.46 3d5b s ILE 81 Cb -0.07 -1.37 -0.11 0.00 -1.58 0.00 0.00 42.46 39.33 3d5b s ILE 81 CO 0.23 -0.42 1.60 -0.60 -1.23 0.00 0.00 174.94 174.51 3d5b s ARG 82 N 1.72 4.14 -0.91 2.79 6.06 -1.26 -3.36 118.95 128.13 3d5b s ARG 82 Ca 0.04 2.56 -0.04 0.00 -2.50 0.00 0.00 55.73 55.78 3d5b s ARG 82 Cb -0.17 -3.04 -0.03 0.00 0.06 0.00 0.00 34.95 31.76 3d5b s ARG 82 CO -0.17 -0.63 0.81 -0.25 -2.50 0.00 0.00 175.30 172.56 3d5b n ASP 83 N 2.48 -7.06 -2.95 -2.12 8.00 0.98 -4.93 116.55 110.94 3d5b n ASP 83 Ca 0.09 -0.44 0.01 0.00 0.71 0.00 0.00 54.79 55.15 3d5b n ASP 83 Cb 0.37 -5.08 0.00 0.00 -0.02 0.00 0.00 41.12 36.39 3d5b n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3d5b s PHE 84 N -3.21 -1.06 -0.40 1.24 2.19 -1.24 -4.27 117.98 111.23 3d5b s PHE 84 Ca 0.24 0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.60 3d5b s PHE 84 Cb -0.04 0.20 0.11 0.00 -1.31 0.00 0.00 43.02 41.98 3d5b s PHE 84 CO 0.75 -0.74 0.14 1.21 1.83 0.00 0.00 175.22 178.42 3d5b s ASN 85 N 1.75 4.91 0.00 6.13 3.84 -1.26 -4.23 114.94 126.08 3d5b s ASN 85 Ca 0.17 -2.24 0.00 0.00 0.21 0.00 0.00 52.86 51.00 3d5b s ASN 85 Cb 0.01 -1.71 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 3d5b s ASN 85 CO -0.10 -0.42 0.00 -2.65 -2.79 0.00 0.00 177.10 171.14 3d5b n PRO 86 N 4.20 0.00 -3.11 0.43 -0.02 -1.26 -5.12 135.00 130.12 3d5b n PRO 86 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.48 3d5b n PRO 86 Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.90 3d5b n PRO 86 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3d5b n GLU 87 N 0.00 0.45 0.00 -0.52 0.28 -1.26 -5.15 120.64 114.44 3d5b n GLU 87 Ca 0.00 -1.03 0.00 0.00 -0.16 0.00 0.00 57.16 55.97 3d5b n GLU 87 Cb 0.00 1.39 0.00 0.00 1.43 0.00 0.00 31.44 34.26 3d5b n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3d5b n GLY 88 N -0.50 0.79 0.00 -1.84 0.00 -1.26 -4.35 105.19 98.03 3d5b n GLY 88 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3d5b n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d5b n ASP 89 N -3.78 0.70 -3.74 1.61 8.00 -1.26 -4.97 116.55 113.11 3d5b n ASP 89 Ca 0.00 -0.88 -0.13 0.00 0.71 0.00 0.00 54.79 54.49 3d5b n ASP 89 Cb 0.00 0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 3d5b n ASP 89 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3d5b s THR 90 N -0.19 -0.00 0.22 -3.53 -4.23 -1.26 -0.67 115.64 105.97 3d5b s THR 90 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.56 3d5b s THR 90 Cb 0.00 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 3d5b s THR 90 CO 0.00 0.00 0.35 0.68 -0.54 0.00 0.00 174.62 175.11 3d5b s VAL 91 N 0.24 5.27 0.13 2.29 -7.23 -1.16 -4.95 120.40 114.99 3d5b s VAL 91 Ca -0.00 -0.91 -0.00 0.00 -1.81 0.00 0.00 61.98 59.26 3d5b s VAL 91 Cb -0.03 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.08 3d5b s VAL 91 CO 0.00 -0.28 0.17 0.41 -0.31 0.00 0.00 175.10 175.10 3d5b n THR 92 N -1.21 0.00 0.53 5.32 -1.04 -1.26 -2.86 114.28 113.76 3d5b n THR 92 Ca -0.08 -0.69 0.11 0.00 -2.04 0.00 0.00 64.05 61.35 3d5b n THR 92 Cb 0.56 0.41 0.44 0.00 -1.82 0.00 0.00 70.33 69.92 3d5b n THR 92 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3d5b n VAL 93 N -0.22 0.76 0.25 12.58 0.24 -1.26 -2.46 118.33 128.23 3d5b n VAL 93 Ca 0.01 0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.54 3d5b n VAL 93 Cb 0.22 -0.96 0.49 0.00 -1.47 0.00 0.00 33.84 32.12 3d5b n VAL 93 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3d5b n GLU 94 N -1.93 0.14 -0.05 7.34 -0.58 -1.26 -2.09 120.64 122.21 3d5b n GLU 94 Ca 0.04 0.52 -0.05 0.00 -0.42 0.00 0.00 57.16 57.26 3d5b n GLU 94 Cb 0.25 -1.86 0.17 0.00 -0.57 0.00 0.00 31.44 29.43 3d5b n GLU 94 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3d5b h ILE 95 N 0.00 1.25 -3.16 -3.67 2.04 -1.91 -3.43 117.51 108.64 3d5b h ILE 95 Ca 0.00 -1.17 -0.64 0.00 1.00 0.00 0.00 64.86 64.05 3d5b h ILE 95 Cb 0.15 1.16 -0.14 0.00 -0.74 0.00 0.00 36.82 37.25 3d5b h ILE 95 CO 0.00 0.39 -0.55 -0.36 0.00 0.00 0.00 178.15 177.63 3d5b s PHE 96 N -4.69 3.32 -0.12 1.37 2.99 -0.89 -5.08 117.98 114.89 3d5b s PHE 96 Ca -0.08 0.21 -0.03 0.00 0.00 0.00 0.00 56.93 57.02 3d5b s PHE 96 Cb 0.14 -2.01 -0.03 0.00 0.00 0.00 0.00 43.02 41.12 3d5b s PHE 96 CO 0.81 0.34 0.02 0.21 -0.00 0.00 0.00 175.22 176.59 3d5b s LYS 97 N -0.13 3.31 -0.67 0.44 2.20 -1.26 -4.98 119.74 118.64 3d5b s LYS 97 Ca 0.08 -0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 55.02 3d5b s LYS 97 Cb -0.12 -2.92 -0.13 0.00 -1.51 0.00 0.00 37.83 33.16 3d5b s LYS 97 CO 0.01 0.56 2.51 -2.30 -0.36 0.00 0.00 175.35 175.76 3d5b n PRO 98 N 2.60 0.67 0.00 4.03 -0.02 -1.26 -1.18 135.00 139.84 3d5b n PRO 98 Ca -0.18 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3d5b n PRO 98 Cb 0.53 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3d5b n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5b n GLY 99 N 6.19 2.36 3.77 -1.23 0.00 -0.97 -5.02 105.19 110.29 3d5b n GLY 99 Ca 0.47 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3d5b n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5b s GLU 100 N 0.00 3.82 -0.04 1.61 2.02 -0.33 -4.66 118.70 121.12 3d5b s GLU 100 Ca 0.00 1.89 -0.04 0.00 0.02 0.00 0.00 54.97 56.85 3d5b s GLU 100 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 3d5b s GLU 100 CO 0.00 -0.53 0.16 1.03 0.02 0.00 0.00 175.26 175.94 3d5b s ARG 101 N -2.53 3.40 0.15 1.61 0.52 -1.26 -0.61 118.95 120.23 3d5b s ARG 101 Ca 0.61 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.59 3d5b s ARG 101 Cb -0.32 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3d5b s ARG 101 CO 0.39 0.70 -0.12 0.14 0.02 0.00 0.00 175.30 176.43 3d5b s VAL 102 N -1.23 1.32 -0.20 3.52 -7.23 -0.34 -3.31 120.40 112.92 3d5b s VAL 102 Ca 0.24 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 3d5b s VAL 102 Cb -0.12 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 3d5b s VAL 102 CO 0.14 -0.59 0.03 -1.81 -0.31 0.00 0.00 175.10 172.57 3d5b s ASP 103 N -2.89 5.20 -0.18 4.85 1.01 -1.05 -2.10 116.67 121.51 3d5b s ASP 103 Ca 0.14 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.32 3d5b s ASP 103 Cb -0.01 -1.89 0.01 0.00 1.01 0.00 0.00 42.92 42.04 3d5b s ASP 103 CO 0.03 0.10 -0.17 -0.69 0.21 0.00 0.00 175.17 174.64 3d5b s VAL 104 N 0.82 2.31 -0.12 -1.27 1.01 -0.81 -0.38 120.40 121.97 3d5b s VAL 104 Ca 0.02 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3d5b s VAL 104 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3d5b s VAL 104 CO 0.02 0.52 0.16 -0.89 0.00 0.00 0.00 175.10 174.92 3d5b s THR 105 N 1.29 5.46 0.28 3.92 2.01 -0.68 -2.23 115.64 125.68 3d5b s THR 105 Ca 0.04 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3d5b s THR 105 Cb -0.13 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 3d5b s THR 105 CO -0.10 0.60 0.33 0.61 -0.69 0.00 0.00 174.62 175.36 3d5b n GLY 106 N 2.14 2.61 3.20 4.40 0.00 -0.48 -2.04 105.19 115.02 3d5b n GLY 106 Ca -0.19 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 3d5b n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5b s THR 107 N -2.87 3.77 0.74 2.61 2.01 -1.26 -1.70 115.64 118.94 3d5b s THR 107 Ca 0.27 -1.66 -0.16 0.00 0.31 0.00 0.00 61.69 60.45 3d5b s THR 107 Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3d5b s THR 107 CO 0.19 -0.55 0.62 -1.54 -0.69 0.00 0.00 174.62 172.64 3d5b n SER 108 N 4.78 -0.90 -4.77 3.53 3.41 -0.56 -3.42 113.62 115.69 3d5b n SER 108 Ca -0.08 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 3d5b n SER 108 Cb 0.42 -1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.10 3d5b n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3d5b s LYS 109 N -2.95 4.28 -0.30 4.33 1.02 -1.26 -2.29 119.74 122.58 3d5b s LYS 109 Ca 0.66 2.31 -0.29 0.00 0.02 0.00 0.00 55.97 58.68 3d5b s LYS 109 Cb -0.34 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 33.93 3d5b s LYS 109 CO 0.57 -0.30 1.07 0.20 -0.92 0.00 0.00 175.35 175.97 3d5b s GLY 110 N -0.28 1.58 -0.20 -3.33 0.00 -1.26 -2.12 107.32 101.71 3d5b s GLY 110 Ca 0.51 -0.01 0.11 0.00 0.00 0.00 0.00 44.72 45.34 3d5b s GLY 110 CO 0.54 2.26 1.52 0.54 0.00 0.00 0.00 173.10 177.96 3d5b n ARG 111 N 6.78 4.02 0.00 2.90 1.74 -0.71 -4.88 116.66 126.51 3d5b n ARG 111 Ca 0.12 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 3d5b n ARG 111 Cb 0.47 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3d5b n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5b n GLY 112 N 0.42 0.85 3.57 -0.13 0.00 -1.24 -3.64 105.19 105.02 3d5b n GLY 112 Ca 0.24 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3d5b n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d5b s PHE 113 N 0.00 1.99 0.32 1.61 5.36 -1.26 -1.05 117.98 124.95 3d5b s PHE 113 Ca 0.00 0.32 -0.16 0.00 -0.96 0.00 0.00 56.93 56.12 3d5b s PHE 113 Cb 0.00 -4.09 -0.09 0.00 -0.34 0.00 0.00 43.02 38.50 3d5b s PHE 113 CO 0.00 -1.41 0.76 0.00 -1.46 0.00 0.00 175.22 173.12 3d5b s ALA 114 N 10.12 3.30 0.52 11.12 0.00 -0.60 -4.75 121.76 141.47 3d5b s ALA 114 Ca 0.67 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 3d5b s ALA 114 Cb -0.02 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 3d5b s ALA 114 CO 0.09 0.31 1.02 0.20 0.00 0.00 0.00 175.76 177.37 3d5b s GLY 115 N -2.16 2.27 0.21 0.00 0.00 -1.26 -0.81 107.32 105.58 3d5b s GLY 115 Ca 0.53 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 3d5b s GLY 115 CO 0.18 0.72 1.59 -0.24 0.00 0.00 0.00 173.10 175.34 3d5b h VAL 116 N 1.11 0.17 -0.74 1.40 3.04 -1.89 0.53 116.25 119.88 3d5b h VAL 116 Ca -0.48 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.24 3d5b h VAL 116 Cb 1.21 0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 30.62 3d5b h VAL 116 CO 0.59 0.00 0.47 -0.03 -1.01 0.00 0.00 177.57 177.59 3d5b h MET 117 N -0.07 0.89 -0.28 4.17 1.85 -1.92 -0.92 114.93 118.65 3d5b h MET 117 Ca 0.31 -0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 59.19 3d5b h MET 117 Cb 0.56 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 3d5b h MET 117 CO -0.77 0.59 -0.45 -0.22 -0.40 0.00 0.00 176.91 175.66 3d5b h LYS 118 N 0.92 0.73 0.07 0.39 3.11 -1.37 -2.03 116.57 118.39 3d5b h LYS 118 Ca 0.30 -0.41 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 3d5b h LYS 118 Cb 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3d5b h LYS 118 CO -0.11 1.03 -0.03 -0.09 -2.81 0.00 0.00 179.45 177.44 3d5b h ARG 119 N 0.59 -0.09 -0.80 1.90 1.12 0.84 -3.34 114.38 114.59 3d5b h ARG 119 Ca 0.04 0.01 -0.27 0.00 -1.11 0.00 0.00 59.98 58.64 3d5b h ARG 119 Cb 1.01 0.02 -0.16 0.00 -0.01 0.00 0.00 29.97 30.83 3d5b h ARG 119 CO 0.10 -0.06 0.34 0.91 -3.11 0.00 0.00 179.97 178.15 3d5b n TRP 120 N -2.42 2.59 -3.90 2.20 7.02 -0.43 -4.95 117.44 117.55 3d5b n TRP 120 Ca -0.01 -1.31 -0.35 0.00 -1.02 0.00 0.00 57.50 54.82 3d5b n TRP 120 Cb 0.04 -0.74 0.01 0.00 -2.42 0.00 0.00 31.31 28.20 3d5b n TRP 120 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3d5b n ASN 121 N -0.30 -3.95 -3.01 -0.99 5.15 -0.78 -4.94 115.26 106.45 3d5b n ASN 121 Ca 0.44 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 3d5b n ASN 121 Cb 1.44 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 3d5b n ASN 121 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3d5b n PHE 122 N -3.76 -1.07 -0.11 1.20 3.01 -1.12 -5.03 117.46 110.57 3d5b n PHE 122 Ca -0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.13 3d5b n PHE 122 Cb 0.56 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.90 3d5b n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d5b n ALA 123 N -3.00 1.49 0.00 4.37 0.00 -1.26 -4.97 120.51 117.14 3d5b n ALA 123 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3d5b n ALA 123 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3d5b n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5b n GLY 124 N 2.20 1.00 3.61 0.00 0.00 -1.26 -4.98 105.19 105.76 3d5b n GLY 124 Ca -0.40 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 3d5b n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d5b s GLY 125 N 0.00 -0.37 0.14 -0.02 0.00 0.17 -4.51 107.32 102.73 3d5b s GLY 125 Ca 0.00 0.57 -0.35 0.00 0.00 0.00 0.00 44.72 44.94 3d5b s GLY 125 CO 0.00 0.17 1.43 -1.05 0.00 0.00 0.00 173.10 173.65 3d5b n PRO 126 N -0.35 1.67 0.03 2.90 -0.02 -1.26 -4.78 135.00 133.19 3d5b n PRO 126 Ca -0.08 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3d5b n PRO 126 Cb 0.61 -2.29 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 3d5b n PRO 126 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3d5b n ASP 127 N 2.81 0.60 0.00 2.55 8.00 -1.26 -4.59 116.55 124.67 3d5b n ASP 127 Ca 0.17 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3d5b n ASP 127 Cb 0.25 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 3d5b n ASP 127 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3d5b n SER 128 N -1.83 0.00 -0.34 -2.24 3.41 -1.26 -4.88 113.62 106.48 3d5b n SER 128 Ca 0.04 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.75 3d5b n SER 128 Cb 0.40 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.64 3d5b n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3d5b h HIS 129 N 0.00 1.06 -4.13 7.33 3.86 -2.02 -3.44 115.15 117.81 3d5b h HIS 129 Ca 0.00 0.03 -0.50 0.00 -1.16 0.00 0.00 60.37 58.74 3d5b h HIS 129 Cb 0.00 -0.33 0.08 0.00 1.06 0.00 0.00 27.41 28.23 3d5b h HIS 129 CO 0.00 0.34 0.41 0.20 0.86 0.00 0.00 177.93 179.74 3d5b s GLY 130 N -3.62 2.46 0.21 2.45 0.00 -1.26 -4.94 107.32 102.62 3d5b s GLY 130 Ca -0.11 0.73 -0.32 0.00 0.00 0.00 0.00 44.72 45.01 3d5b s GLY 130 CO 0.80 1.08 1.60 0.00 0.00 0.00 0.00 173.10 176.58 3d5b n ALA 131 N -1.72 2.01 -0.20 3.20 0.00 -1.26 -4.80 120.51 117.74 3d5b n ALA 131 Ca 0.11 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.93 3d5b n ALA 131 Cb 0.51 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 3d5b n ALA 131 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d5b n HIS 132 N 3.09 0.16 0.00 0.00 -0.00 -1.26 -3.19 115.22 114.02 3d5b n HIS 132 Ca 0.14 -0.53 0.00 0.00 -0.00 0.00 0.00 57.72 57.33 3d5b n HIS 132 Cb 0.33 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.58 3d5b n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3d5b n LYS 133 N 3.62 3.25 -0.74 -0.41 4.76 -1.26 -4.88 118.16 122.50 3d5b n LYS 133 Ca 0.10 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.58 3d5b n LYS 133 Cb 0.11 -0.60 0.06 0.00 -1.84 0.00 0.00 35.03 32.77 3d5b n LYS 133 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3d5b n ILE 134 N -0.62 0.63 -0.04 -0.18 -6.64 -1.19 -4.91 119.36 106.40 3d5b n ILE 134 Ca 0.00 -1.13 -0.07 0.00 -1.77 0.00 0.00 62.75 59.77 3d5b n ILE 134 Cb 0.00 0.42 -0.05 0.00 -1.44 0.00 0.00 39.64 38.57 3d5b n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3d5b h HIS 135 N 0.44 -0.86 -2.69 4.28 3.86 -1.83 -2.87 115.15 115.47 3d5b h HIS 135 Ca -0.07 0.04 -0.76 0.00 -1.16 0.00 0.00 60.37 58.42 3d5b h HIS 135 Cb 1.43 0.40 -0.32 0.00 1.06 0.00 0.00 27.41 29.98 3d5b h HIS 135 CO 0.20 -0.27 0.44 0.54 0.86 0.00 0.00 177.93 179.70 3d5b n ARG 136 N -4.07 4.06 -4.31 2.45 1.74 -1.26 0.41 116.66 115.68 3d5b n ARG 136 Ca -0.02 -4.60 -0.20 0.00 -0.77 0.00 0.00 57.85 52.25 3d5b n ARG 136 Cb 0.18 -2.44 -0.16 0.00 -1.02 0.00 0.00 32.46 29.02 3d5b n ARG 136 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3d5b s HIS 137 N -2.84 0.91 -0.01 -1.55 2.46 -1.08 -4.80 115.29 108.37 3d5b s HIS 137 Ca 0.34 -0.26 0.15 0.00 0.47 0.00 0.00 55.06 55.76 3d5b s HIS 137 Cb 0.09 -0.71 0.82 0.00 -0.13 0.00 0.00 32.58 32.65 3d5b s HIS 137 CO 0.06 -0.16 1.38 -0.35 -2.47 0.00 0.00 174.74 173.20 3d5b n PRO 138 N 3.68 0.10 0.00 2.88 -0.04 -1.26 -4.71 135.00 135.64 3d5b n PRO 138 Ca -0.22 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3d5b n PRO 138 Cb 0.52 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 3d5b n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5b n GLY 139 N -1.28 2.51 3.90 0.55 0.00 -1.26 -4.74 105.19 104.88 3d5b n GLY 139 Ca -0.01 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3d5b n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d5b s SER 140 N -4.00 6.22 0.00 1.61 0.15 -1.26 -5.01 113.70 111.41 3d5b s SER 140 Ca 0.00 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.61 3d5b s SER 140 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 3d5b s SER 140 CO 0.00 -0.63 0.00 2.30 1.20 0.00 0.00 173.24 176.11 3d5b n ILE 141 N -2.32 0.00 -2.01 6.45 -5.35 -1.26 -5.14 119.36 109.72 3d5b n ILE 141 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 3d5b n ILE 141 Cb 0.55 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 3d5b n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d5b n GLY 142 N 1.47 5.22 0.00 3.28 0.00 -1.26 -4.86 105.19 109.03 3d5b n GLY 142 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3d5b n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d5b n ASN 143 N 0.00 1.45 -0.71 1.61 5.03 -1.26 -5.11 115.26 116.26 3d5b n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3d5b n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3d5b n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3d5b n ARG 144 N 0.00 3.65 -0.24 3.52 5.12 -1.26 -4.80 116.66 122.65 3d5b n ARG 144 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 3d5b n ARG 144 Cb 0.00 0.00 0.42 0.00 -1.16 0.00 0.00 32.46 31.72 3d5b n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3d5b h LYS 145 N 0.00 0.57 -5.02 5.56 1.57 -2.02 -3.10 116.57 114.14 3d5b h LYS 145 Ca 0.00 -0.03 -0.64 0.00 -1.87 0.00 0.00 60.65 58.11 3d5b h LYS 145 Cb 0.00 -0.13 -0.19 0.00 0.08 0.00 0.00 32.23 31.99 3d5b h LYS 145 CO 0.00 0.38 -0.58 0.95 -0.57 0.00 0.00 179.45 179.63 3d5b s THR 146 N -5.59 4.73 -0.33 -0.16 -4.23 -1.26 -1.45 115.64 107.36 3d5b s THR 146 Ca -0.09 -0.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.59 3d5b s THR 146 Cb 0.22 -3.20 0.22 0.00 1.34 0.00 0.00 72.50 71.07 3d5b s THR 146 CO 0.78 0.35 1.49 1.55 -0.54 0.00 0.00 174.62 178.25 3d5b h PRO 147 N 7.86 0.00 0.00 3.99 0.13 -1.91 -3.42 132.00 138.65 3d5b h PRO 147 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3d5b h PRO 147 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3d5b h PRO 147 CO 0.60 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 3d5b n GLY 148 N 1.15 1.11 0.00 1.56 0.00 -0.53 -5.02 105.19 103.46 3d5b n GLY 148 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3d5b n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d5b n ARG 149 N -2.00 3.77 -4.72 1.61 1.85 -1.26 -5.03 116.66 110.88 3d5b n ARG 149 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 3d5b n ARG 149 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3d5b n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3d5b s VAL 150 N 0.83 1.27 0.01 8.89 1.01 -1.26 -4.70 120.40 126.44 3d5b s VAL 150 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3d5b s VAL 150 Cb 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 3d5b s VAL 150 CO 0.00 0.38 1.89 -0.31 0.00 0.00 0.00 175.10 177.06 3d5b s TYR 151 N 0.21 1.45 0.15 5.22 2.02 -1.26 -4.89 117.35 120.25 3d5b s TYR 151 Ca -0.07 -0.27 -0.34 0.00 -0.37 0.00 0.00 57.07 56.02 3d5b s TYR 151 Cb -0.12 -4.16 -0.15 0.00 -0.40 0.00 0.00 41.96 37.14 3d5b s TYR 151 CO 0.02 -5.10 1.50 1.63 -1.57 0.00 0.00 175.55 172.03 3d5b n LYS 152 N 7.47 1.87 -0.40 -0.62 5.02 -1.26 -1.22 118.16 129.02 3d5b n LYS 152 Ca 0.19 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 3d5b n LYS 152 Cb 0.42 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 3d5b n LYS 152 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5b n GLY 153 N 3.08 0.75 3.66 0.72 0.00 -1.26 -5.01 105.19 107.13 3d5b n GLY 153 Ca 0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 3d5b n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d5b n LYS 154 N -2.22 1.71 -1.56 1.61 3.00 -0.36 -4.78 118.16 115.55 3d5b n LYS 154 Ca 0.00 0.62 -0.45 0.00 -0.00 0.00 0.00 58.31 58.48 3d5b n LYS 154 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 35.03 32.63 3d5b n LYS 154 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3d5b n LYS 155 N 4.25 1.76 -4.31 1.64 5.02 -1.26 -4.94 118.16 120.32 3d5b n LYS 155 Ca 0.20 0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 56.82 3d5b n LYS 155 Cb 0.23 -3.03 -0.10 0.00 -0.02 0.00 0.00 35.03 32.11 3d5b n LYS 155 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3d5b s MET 156 N 6.25 1.26 1.10 1.97 -1.94 -1.26 -5.08 119.30 121.60 3d5b s MET 156 Ca 1.03 -1.61 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 3d5b s MET 156 Cb -0.47 -0.64 0.28 0.00 2.01 0.00 0.00 34.83 36.01 3d5b s MET 156 CO 0.39 -0.04 0.64 0.00 -0.01 0.00 0.00 175.02 176.00 3d5b n ALA 157 N -0.35 -3.90 0.00 3.03 0.00 -1.26 -4.82 120.51 113.21 3d5b n ALA 157 Ca -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.24 3d5b n ALA 157 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3d5b n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5b n GLY 158 N -4.21 1.90 3.66 0.00 0.00 0.01 -4.93 105.19 101.62 3d5b n GLY 158 Ca 0.10 -2.06 -0.56 0.00 0.00 0.00 0.00 46.02 43.50 3d5b n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d5b n HIS 159 N -1.46 1.97 -3.94 1.61 -0.00 -1.25 -1.56 115.22 110.60 3d5b n HIS 159 Ca 0.00 0.49 -0.12 0.00 -0.00 0.00 0.00 57.72 58.09 3d5b n HIS 159 Cb 0.00 -2.47 -0.13 0.00 -0.00 0.00 0.00 29.99 27.39 3d5b n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3d5b s TYR 160 N 4.23 0.15 0.00 1.57 6.14 -0.22 -4.86 117.35 124.36 3d5b s TYR 160 Ca 1.01 -0.18 0.00 0.00 0.64 0.00 0.00 57.07 58.54 3d5b s TYR 160 Cb -1.05 -0.10 0.00 0.00 0.42 0.00 0.00 41.96 41.23 3d5b s TYR 160 CO 0.63 -0.06 0.00 0.41 0.64 0.00 0.00 175.55 177.17 3d5b n GLY 161 N 2.57 -2.86 3.32 8.97 0.00 -1.26 -1.73 105.19 114.20 3d5b n GLY 161 Ca -0.16 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.70 3d5b n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5b n ALA 162 N 0.29 -1.44 -3.74 4.61 0.00 -0.90 -4.72 120.51 114.61 3d5b n ALA 162 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 3d5b n ALA 162 Cb 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 19.45 15.47 3d5b n ALA 162 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3d5b n GLU 163 N -4.30 0.89 -2.85 0.00 0.28 -1.25 -4.80 120.64 108.61 3d5b n GLU 163 Ca -0.10 -0.86 -0.42 0.00 -0.16 0.00 0.00 57.16 55.62 3d5b n GLU 163 Cb 0.59 0.46 -0.04 0.00 1.43 0.00 0.00 31.44 33.88 3d5b n GLU 163 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3d5b s ARG 164 N -2.39 3.81 -0.07 3.44 3.52 -1.26 -1.49 118.95 124.50 3d5b s ARG 164 Ca 0.05 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.18 3d5b s ARG 164 Cb 0.00 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 3d5b s ARG 164 CO 0.03 -0.92 -0.19 0.08 -0.81 0.00 0.00 175.30 173.49 3d5b s VAL 165 N 3.37 1.62 -0.25 7.11 1.01 -0.69 -4.99 120.40 127.57 3d5b s VAL 165 Ca 0.36 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3d5b s VAL 165 Cb -0.12 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.88 3d5b s VAL 165 CO 0.18 0.46 -0.07 -0.89 0.00 0.00 0.00 175.10 174.78 3d5b s THR 166 N 0.31 2.69 0.10 3.92 2.01 -1.26 -1.39 115.64 122.03 3d5b s THR 166 Ca -0.12 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.58 3d5b s THR 166 Cb -0.15 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 3d5b s THR 166 CO 0.05 0.13 0.41 0.54 -0.69 0.00 0.00 174.62 175.06 3d5b s VAL 167 N 1.27 5.08 0.27 3.82 0.11 -0.95 -4.98 120.40 125.02 3d5b s VAL 167 Ca -0.02 0.40 0.07 0.00 -2.93 0.00 0.00 61.98 59.50 3d5b s VAL 167 Cb -0.18 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 30.98 3d5b s VAL 167 CO -0.05 0.22 -0.08 -0.04 -3.33 0.00 0.00 175.10 171.82 3d5b s MET 168 N -2.09 1.54 -1.58 1.54 1.00 -1.26 -1.93 119.30 116.52 3d5b s MET 168 Ca 0.35 -1.76 -0.12 0.00 0.00 0.00 0.00 55.69 54.16 3d5b s MET 168 Cb -0.13 -1.23 0.10 0.00 0.00 0.00 0.00 34.83 33.57 3d5b s MET 168 CO 0.19 0.09 0.68 0.09 0.00 0.00 0.00 175.02 176.07 3d5b n ASN 169 N -0.57 -2.46 -4.63 3.03 5.03 -1.16 -4.94 115.26 109.56 3d5b n ASN 169 Ca -0.06 -0.98 -0.41 0.00 0.87 0.00 0.00 54.58 53.99 3d5b n ASN 169 Cb 0.63 -2.99 -0.05 0.00 -1.02 0.00 0.00 39.78 36.35 3d5b n ASN 169 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3d5b s LEU 170 N -7.17 4.08 0.25 3.41 1.43 -0.89 -4.81 118.68 114.97 3d5b s LEU 170 Ca 0.48 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.13 3d5b s LEU 170 Cb -0.26 -3.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 3d5b s LEU 170 CO 0.90 -0.50 1.19 -1.83 0.23 0.00 0.00 176.35 176.34 3d5b s GLU 171 N 2.78 4.51 -0.34 1.70 -1.05 -1.26 -1.20 118.70 123.84 3d5b s GLU 171 Ca 0.32 1.93 -0.29 0.00 -0.15 0.00 0.00 54.97 56.78 3d5b s GLU 171 Cb -0.15 -3.19 -0.00 0.00 -0.44 0.00 0.00 34.13 30.35 3d5b s GLU 171 CO 0.09 -0.01 1.46 0.08 0.95 0.00 0.00 175.26 177.82 3d5b s VAL 172 N -0.63 3.89 0.00 1.83 1.01 0.22 -3.17 120.40 123.55 3d5b s VAL 172 Ca 0.49 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3d5b s VAL 172 Cb -0.34 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 31.99 3d5b s VAL 172 CO 0.41 -0.57 0.00 0.52 0.00 0.00 0.00 175.10 175.46 3d5b n VAL 173 N 6.78 0.00 -1.66 2.92 0.31 0.10 -2.28 118.33 124.51 3d5b n VAL 173 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.08 3d5b n VAL 173 Cb 0.47 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.73 3d5b n VAL 173 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3d5b s ASP 174 N -1.00 6.29 -0.24 4.52 3.68 -1.26 -4.48 116.67 124.17 3d5b s ASP 174 Ca 0.00 2.55 -0.07 0.00 2.13 0.00 0.00 52.55 57.15 3d5b s ASP 174 Cb 0.00 -2.53 -0.03 0.00 -1.45 0.00 0.00 42.92 38.91 3d5b s ASP 174 CO 0.00 -1.20 0.07 0.54 0.13 0.00 0.00 175.17 174.70 3d5b s VAL 175 N 5.09 4.32 -0.46 1.11 0.11 -1.26 -3.24 120.40 126.08 3d5b s VAL 175 Ca 0.90 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 59.69 3d5b s VAL 175 Cb -0.41 -3.01 0.11 0.00 -1.53 0.00 0.00 36.38 31.53 3d5b s VAL 175 CO 0.41 0.35 0.32 -0.63 -3.33 0.00 0.00 175.10 172.22 3d5b s ILE 176 N 1.50 4.25 0.34 7.04 1.09 -1.18 -4.92 121.20 129.32 3d5b s ILE 176 Ca 0.06 -1.66 0.38 0.00 -1.10 0.00 0.00 60.65 58.33 3d5b s ILE 176 Cb -0.15 -3.74 0.41 0.00 -1.06 0.00 0.00 42.46 37.93 3d5b s ILE 176 CO 0.03 -0.70 2.15 1.55 -0.10 0.00 0.00 174.94 177.88 3d5b h PRO 177 N 8.45 0.00 0.00 2.79 0.13 -1.95 -2.09 132.00 139.34 3d5b h PRO 177 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3d5b h PRO 177 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3d5b h PRO 177 CO 0.83 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.69 3d5b n GLU 178 N -3.05 0.00 -0.07 0.86 4.07 -1.26 -2.65 120.64 118.55 3d5b n GLU 178 Ca -0.01 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 3d5b n GLU 178 Cb 0.19 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 3d5b n GLU 178 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3d5b n GLU 179 N -1.48 0.00 -2.10 5.31 4.07 -1.14 -5.00 120.64 120.29 3d5b n GLU 179 Ca 0.01 -0.24 -0.15 0.00 -0.06 0.00 0.00 57.16 56.72 3d5b n GLU 179 Cb 0.03 -0.21 -0.02 0.00 -0.06 0.00 0.00 31.44 31.18 3d5b n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3d5b n ASN 180 N 0.00 -4.67 -4.93 4.31 3.02 -1.08 -4.93 115.26 106.98 3d5b n ASN 180 Ca 0.00 0.07 -0.25 0.00 -0.03 0.00 0.00 54.58 54.37 3d5b n ASN 180 Cb 0.51 -3.74 -0.01 0.00 -0.61 0.00 0.00 39.78 35.93 3d5b n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d5b s LEU 181 N -4.20 3.90 -0.15 3.41 2.01 -0.80 -0.84 118.68 122.01 3d5b s LEU 181 Ca 0.00 0.62 -0.09 0.00 0.01 0.00 0.00 54.13 54.67 3d5b s LEU 181 Cb 0.00 -3.50 0.05 0.00 0.01 0.00 0.00 46.19 42.75 3d5b s LEU 181 CO 0.00 -0.37 0.37 -0.22 1.01 0.00 0.00 176.35 177.14 3d5b s LEU 182 N -4.38 0.07 -0.08 1.79 2.96 -0.57 -3.11 118.68 115.36 3d5b s LEU 182 Ca 0.43 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 3d5b s LEU 182 Cb -0.10 1.21 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 3d5b s LEU 182 CO 0.38 -0.18 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.40 3d5b s LEU 183 N 1.27 3.15 0.41 -0.68 1.02 -1.20 -0.74 118.68 121.91 3d5b s LEU 183 Ca -0.09 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.06 3d5b s LEU 183 Cb -0.08 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.41 3d5b s LEU 183 CO -0.11 0.32 0.18 -0.69 0.02 0.00 0.00 176.35 176.08 3d5b s VAL 184 N -0.57 0.38 0.00 -1.59 1.01 -0.51 0.02 120.40 119.15 3d5b s VAL 184 Ca 0.09 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.07 3d5b s VAL 184 Cb -0.12 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3d5b s VAL 184 CO 0.02 0.00 0.95 0.29 0.00 0.00 0.00 175.10 176.36 3d5b n LYS 185 N -0.90 0.76 0.00 2.72 4.76 -1.19 -1.26 118.16 123.05 3d5b n LYS 185 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3d5b n LYS 185 Cb 0.64 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3d5b n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d5b n GLY 186 N 0.86 1.56 3.54 0.72 0.00 -1.25 -4.79 105.19 105.83 3d5b n GLY 186 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3d5b n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5b n ALA 187 N 1.48 0.61 -3.49 4.61 0.00 -1.26 -4.27 120.51 118.19 3d5b n ALA 187 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 53.44 52.32 3d5b n ALA 187 Cb 0.00 -2.93 -0.17 0.00 0.00 0.00 0.00 19.45 16.36 3d5b n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d5b s VAL 188 N 10.87 1.36 1.08 0.00 0.11 -1.26 -4.98 120.40 127.57 3d5b s VAL 188 Ca 1.09 -0.59 -0.13 0.00 -2.93 0.00 0.00 61.98 59.42 3d5b s VAL 188 Cb -0.49 -1.23 0.19 0.00 -1.53 0.00 0.00 36.38 33.32 3d5b s VAL 188 CO 0.31 0.41 0.77 -0.81 -3.33 0.00 0.00 175.10 172.45 3d5b n PRO 189 N 3.91 -1.57 -0.21 1.54 -0.04 -1.26 -4.86 135.00 132.50 3d5b n PRO 189 Ca -0.21 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 3d5b n PRO 189 Cb 0.52 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 3d5b n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5b n GLY 190 N 1.10 -3.05 0.00 0.55 0.00 -1.22 -4.68 105.19 97.89 3d5b n GLY 190 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3d5b n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d5b n PRO 191 N -1.41 -1.12 -2.77 1.61 -0.04 -1.26 -4.90 135.00 125.12 3d5b n PRO 191 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 3d5b n PRO 191 Cb 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 3d5b n PRO 191 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d5b n ASN 192 N -2.69 5.13 0.00 3.54 5.03 -1.26 -3.59 115.26 121.42 3d5b n ASN 192 Ca 0.00 -2.99 0.00 0.00 0.87 0.00 0.00 54.58 52.46 3d5b n ASN 192 Cb 0.00 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.18 3d5b n ASN 192 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d5b n GLY 193 N 4.01 -0.06 3.77 7.41 0.00 -0.11 -4.87 105.19 115.34 3d5b n GLY 193 Ca 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 3d5b n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d5b s GLY 194 N 0.00 2.96 -0.22 -0.02 0.00 -1.24 -4.75 107.32 104.06 3d5b s GLY 194 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 44.72 45.47 3d5b s GLY 194 CO 0.00 1.62 1.46 -2.27 0.00 0.00 0.00 173.10 173.91 3d5b s LEU 195 N -2.04 3.98 0.22 0.66 0.20 -1.26 -3.23 118.68 117.22 3d5b s LEU 195 Ca 0.52 1.57 0.10 0.00 0.69 0.00 0.00 54.13 57.00 3d5b s LEU 195 Cb -0.34 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.84 3d5b s LEU 195 CO 0.44 -1.08 -0.19 0.68 -0.29 0.00 0.00 176.35 175.90 3d5b s VAL 196 N 4.54 2.14 0.05 1.68 -7.23 0.36 -4.60 120.40 117.34 3d5b s VAL 196 Ca 0.64 -2.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 3d5b s VAL 196 Cb -0.23 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 3d5b s VAL 196 CO 0.25 -0.35 -0.16 0.27 -0.31 0.00 0.00 175.10 174.80 3d5b s ILE 197 N -2.28 2.98 -0.18 -0.62 -4.36 -0.87 -1.72 121.20 114.15 3d5b s ILE 197 Ca 0.23 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 3d5b s ILE 197 Cb -0.05 -2.28 0.03 0.00 1.25 0.00 0.00 42.46 41.41 3d5b s ILE 197 CO 0.10 0.30 -0.13 -0.69 0.24 0.00 0.00 174.94 174.76 3d5b s VAL 198 N -0.98 1.72 0.00 8.37 1.01 -0.70 -1.68 120.40 128.14 3d5b s VAL 198 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3d5b s VAL 198 Cb -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3d5b s VAL 198 CO 0.07 0.32 0.00 0.54 0.00 0.00 0.00 175.10 176.03 3d5b n ARG 199 N 4.69 3.96 -3.84 2.72 1.74 0.49 -2.08 116.66 124.34 3d5b n ARG 199 Ca -0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.56 3d5b n ARG 199 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.79 3d5b n ARG 199 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3d5b s GLU 200 N 1.25 3.37 1.22 5.56 2.12 -1.20 -2.51 118.70 128.51 3d5b s GLU 200 Ca 0.00 -0.65 -0.16 0.00 0.36 0.00 0.00 54.97 54.52 3d5b s GLU 200 Cb 0.00 -3.17 0.30 0.00 0.26 0.00 0.00 34.13 31.51 3d5b s GLU 200 CO 0.00 -0.25 1.02 0.99 -0.54 0.00 0.00 175.26 176.48 3d5b s THR 201 N 1.51 1.74 -0.71 -1.70 2.01 -1.21 -4.74 115.64 112.55 3d5b s THR 201 Ca 0.05 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.10 3d5b s THR 201 Cb -0.15 -2.19 0.19 0.00 0.01 0.00 0.00 72.50 70.36 3d5b s THR 201 CO -0.00 0.00 0.58 0.29 -0.69 0.00 0.00 174.62 174.80 3d5b n LYS 202 N -5.00 2.07 -0.05 4.92 4.01 -1.26 -4.84 118.16 118.02 3d5b n LYS 202 Ca 0.07 -4.53 -0.15 0.00 -0.51 0.00 0.00 58.31 53.18 3d5b n LYS 202 Cb 0.57 -2.29 -0.07 0.00 -0.51 0.00 0.00 35.03 32.73 3d5b n LYS 202 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3d5b h LYS 203 N 5.18 0.65 0.00 1.97 1.63 -1.98 -3.51 116.57 120.51 3d5b h LYS 203 Ca 0.16 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 3d5b h LYS 203 Cb 0.74 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 3d5b h LYS 203 CO 0.76 1.09 0.00 0.00 -3.45 0.00 0.00 179.45 177.85