#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unb s ASP 2 N 0.00 6.48 -0.22 6.12 2.15 -1.26 -4.88 116.67 125.06 1unb s ASP 2 Ca 0.00 2.64 0.07 0.00 0.43 0.00 0.00 52.55 55.69 1unb s ASP 2 Cb 0.00 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.61 1unb s ASP 2 CO 0.00 -1.00 1.47 0.35 -0.17 0.00 0.00 175.17 175.82 1unb n THR 3 N 5.15 2.16 -2.59 1.71 -2.24 -1.26 -4.93 114.28 112.27 1unb n THR 3 Ca 0.18 -1.11 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 1unb n THR 3 Cb 0.40 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 1unb n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1unb s THR 4 N -2.27 4.25 -0.23 4.28 2.01 -1.26 -4.92 115.64 117.50 1unb s THR 4 Ca 0.39 1.79 -0.29 0.00 0.31 0.00 0.00 61.69 63.89 1unb s THR 4 Cb 0.31 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1unb s THR 4 CO 0.10 0.24 1.53 -0.69 -0.69 0.00 0.00 174.62 175.10 1unb s VAL 5 N 0.31 3.82 0.78 3.82 1.01 -1.26 -5.00 120.40 123.88 1unb s VAL 5 Ca 0.51 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.31 1unb s VAL 5 Cb -0.26 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.37 1unb s VAL 5 CO 0.31 -0.32 1.10 -2.16 0.00 0.00 0.00 175.10 174.04 1unb s PRO 6 N 4.47 2.22 -0.04 2.72 0.04 -1.26 -4.82 135.00 138.33 1unb s PRO 6 Ca 0.67 0.54 0.06 0.00 0.04 0.00 0.00 61.00 62.31 1unb s PRO 6 Cb -0.23 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1unb s PRO 6 CO 0.27 -1.50 -0.22 0.99 0.04 0.00 0.00 177.00 176.58 1unb s THR 7 N -3.24 1.79 0.02 1.26 2.01 -1.26 -0.73 115.64 115.49 1unb s THR 7 Ca 0.60 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.73 1unb s THR 7 Cb -0.13 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1unb s THR 7 CO 0.53 0.50 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.41 1unb s PHE 8 N -0.25 1.71 -0.15 4.92 0.40 0.15 -4.96 117.98 119.80 1unb s PHE 8 Ca 0.01 -0.35 -0.26 0.00 -0.60 0.00 0.00 56.93 55.73 1unb s PHE 8 Cb -0.11 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.35 1unb s PHE 8 CO 0.02 0.04 0.86 0.45 0.70 0.00 0.00 175.22 177.29 1unb s SER 9 N -0.89 7.02 0.22 1.36 0.15 -1.26 -0.63 113.70 119.67 1unb s SER 9 Ca 0.07 1.25 -0.09 0.00 0.70 0.00 0.00 55.95 57.88 1unb s SER 9 Cb -0.08 -2.47 0.19 0.00 -1.71 0.00 0.00 66.02 61.95 1unb s SER 9 CO 0.01 -0.40 1.89 0.25 1.20 0.00 0.00 173.24 176.19 1unb h LEU 10 N 8.20 0.97 -0.96 3.45 5.85 -0.92 -2.03 115.31 129.87 1unb h LEU 10 Ca -0.30 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1unb h LEU 10 Cb 1.14 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1unb h LEU 10 CO 0.84 0.71 0.63 0.00 -0.34 0.00 0.00 178.44 180.28 1unb h ALA 11 N 1.30 1.24 -0.55 1.25 0.00 -1.75 -1.24 119.26 119.51 1unb h ALA 11 Ca 0.31 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1unb h ALA 11 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.27 1unb h ALA 11 CO -0.07 0.58 -0.06 0.93 0.00 0.00 0.00 179.25 180.63 1unb h GLU 12 N 1.28 0.99 -0.79 0.00 5.08 -1.84 -2.64 114.58 116.66 1unb h GLU 12 Ca 0.36 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1unb h GLU 12 Cb -0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1unb h GLU 12 CO -0.09 1.01 0.39 -0.07 -1.00 0.00 0.00 179.01 179.25 1unb h LEU 13 N 0.89 1.03 -1.62 1.33 3.38 -0.98 -1.71 115.31 117.63 1unb h LEU 13 Ca 0.15 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1unb h LEU 13 Cb 0.61 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1unb h LEU 13 CO 0.04 0.87 -0.21 1.56 0.09 0.00 0.00 178.44 180.79 1unb h GLN 14 N 1.11 0.00 -0.10 1.13 4.20 -1.13 -1.38 115.11 118.95 1unb h GLN 14 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1unb h GLN 14 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1unb h GLN 14 CO -0.04 0.21 0.00 1.04 -0.67 0.00 0.00 178.83 179.38 1unb n GLN 15 N -3.95 1.42 -0.68 1.46 1.13 -0.84 -4.92 117.38 111.00 1unb n GLN 15 Ca -0.02 -0.63 0.00 0.00 -1.94 0.00 0.00 57.00 54.41 1unb n GLN 15 Cb 0.29 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1unb n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1unb n GLY 16 N 0.98 0.64 3.86 1.08 0.00 -0.52 -5.07 105.19 106.16 1unb n GLY 16 Ca 0.15 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1unb n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1unb s LEU 17 N 0.00 3.31 -1.41 0.99 1.43 -0.70 -4.29 118.68 118.01 1unb s LEU 17 Ca 0.00 1.46 -0.07 0.00 -1.03 0.00 0.00 54.13 54.49 1unb s LEU 17 Cb 0.00 -4.48 0.04 0.00 0.03 0.00 0.00 46.19 41.78 1unb s LEU 17 CO 0.00 -0.83 0.56 1.41 0.23 0.00 0.00 176.35 177.72 1unb n HIS 18 N -2.52 -1.90 -0.12 0.29 8.25 -1.26 -4.37 115.22 113.59 1unb n HIS 18 Ca 0.06 0.51 -0.06 0.00 -0.26 0.00 0.00 57.72 57.97 1unb n HIS 18 Cb 0.54 -3.69 0.02 0.00 1.12 0.00 0.00 29.99 27.98 1unb n HIS 18 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1unb h GLN 19 N -1.20 0.35 -0.26 -0.41 4.20 -1.96 -0.19 115.11 115.63 1unb h GLN 19 Ca -0.48 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.05 1unb h GLN 19 Cb 1.33 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1unb h GLN 19 CO 0.55 0.23 -0.48 -0.44 -0.67 0.00 0.00 178.83 178.02 1unb h ASP 20 N 0.36 0.87 -0.48 1.46 3.32 -1.96 -1.13 116.42 118.86 1unb h ASP 20 Ca 0.17 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1unb h ASP 20 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1unb h ASP 20 CO -0.14 1.24 0.30 -0.33 -1.72 0.00 0.00 179.24 178.59 1unb h GLU 21 N 0.53 0.65 -0.16 3.56 3.07 -1.93 -0.57 114.58 119.73 1unb h GLU 21 Ca 0.01 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1unb h GLU 21 Cb 1.09 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1unb h GLU 21 CO 0.11 0.46 0.05 0.35 -1.40 0.00 0.00 179.01 178.58 1unb h PHE 22 N 0.65 0.27 -0.65 4.33 3.57 -0.90 -0.85 116.94 123.35 1unb h PHE 22 Ca 0.17 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1unb h PHE 22 Cb -0.03 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1unb h PHE 22 CO -0.03 0.38 0.34 -0.09 -2.23 0.00 0.00 178.31 176.67 1unb h ARG 23 N 0.08 0.93 -0.56 1.11 2.43 -1.07 -0.48 114.38 116.81 1unb h ARG 23 Ca 0.05 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1unb h ARG 23 Cb 0.24 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1unb h ARG 23 CO -0.00 0.72 0.11 0.00 -1.51 0.00 0.00 179.97 179.29 1unb h ARG 24 N 0.90 0.92 -0.16 0.20 3.08 -0.98 -2.16 114.38 116.19 1unb h ARG 24 Ca 0.23 -0.24 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1unb h ARG 24 Cb 0.08 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1unb h ARG 24 CO -0.03 0.88 -0.17 0.00 -1.07 0.00 0.00 179.97 179.57 1unb h LEU 26 N -0.20 0.31 -0.46 0.00 3.38 -0.83 0.85 115.31 118.36 1unb h LEU 26 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1unb h LEU 26 Cb 0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1unb h LEU 26 CO -0.28 0.23 0.12 -0.09 0.09 0.00 0.00 178.44 178.51 1unb h ARG 27 N 0.42 0.74 0.00 1.13 2.43 -1.13 -0.81 114.38 117.16 1unb h ARG 27 Ca 0.17 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1unb h ARG 27 Cb 0.06 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1unb h ARG 27 CO -0.11 0.72 -1.91 -0.25 -1.51 0.00 0.00 179.97 176.91 1unb n ASP 28 N -4.51 0.56 0.00 -3.80 8.00 -0.05 -4.10 116.55 112.66 1unb n ASP 28 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1unb n ASP 28 Cb 0.21 1.81 0.00 0.00 -0.02 0.00 0.00 41.12 43.12 1unb n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1unb n LYS 29 N -2.21 0.00 -1.20 -1.24 5.02 0.08 -4.82 118.16 113.78 1unb n LYS 29 Ca -0.06 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 1unb n LYS 29 Cb 0.55 -0.36 -0.03 0.00 -0.02 0.00 0.00 35.03 35.17 1unb n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1unb n GLY 30 N 2.58 0.91 3.29 0.72 0.00 0.03 -4.44 105.19 108.28 1unb n GLY 30 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1unb n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1unb s LEU 31 N -1.57 0.60 -0.13 0.99 2.34 -1.26 -0.82 118.68 118.82 1unb s LEU 31 Ca 0.00 -0.17 -0.33 0.00 0.06 0.00 0.00 54.13 53.70 1unb s LEU 31 Cb 0.00 1.61 0.13 0.00 -0.56 0.00 0.00 46.19 47.37 1unb s LEU 31 CO 0.00 -0.70 1.10 0.72 -1.06 0.00 0.00 176.35 176.41 1unb s PHE 32 N -2.89 -0.21 0.26 3.48 -0.71 -0.76 -4.58 117.98 112.56 1unb s PHE 32 Ca -0.03 0.16 -0.13 0.00 -1.04 0.00 0.00 56.93 55.90 1unb s PHE 32 Cb 0.00 0.52 -0.08 0.00 -1.21 0.00 0.00 43.02 42.25 1unb s PHE 32 CO -0.05 -0.31 0.64 0.71 -1.34 0.00 0.00 175.22 174.86 1unb s TYR 33 N -2.47 3.43 -0.14 3.49 2.02 0.09 -0.37 117.35 123.40 1unb s TYR 33 Ca 0.07 1.07 -0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1unb s TYR 33 Cb -0.01 -2.41 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 1unb s TYR 33 CO -0.06 0.21 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.89 1unb s LEU 34 N -2.76 1.48 0.44 -1.29 2.96 0.54 -0.67 118.68 119.38 1unb s LEU 34 Ca 0.49 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1unb s LEU 34 Cb -0.11 -0.95 0.02 0.00 0.50 0.00 0.00 46.19 45.65 1unb s LEU 34 CO 0.19 -0.13 0.60 0.42 -1.32 0.00 0.00 176.35 176.11 1unb s THR 35 N 1.63 2.93 -1.21 3.68 -4.23 0.20 -1.57 115.64 117.06 1unb s THR 35 Ca 0.03 -0.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1unb s THR 35 Cb -0.14 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1unb s THR 35 CO -0.08 0.00 0.99 0.47 -0.54 0.00 0.00 174.62 175.46 1unb n ASP 36 N -1.91 -5.84 -0.01 3.99 8.00 -1.26 -0.46 116.55 119.05 1unb n ASP 36 Ca 0.08 -0.45 0.01 0.00 0.71 0.00 0.00 54.79 55.14 1unb n ASP 36 Cb 0.59 -4.48 0.01 0.00 -0.02 0.00 0.00 41.12 37.22 1unb n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1unb n GLY 38 N -0.50 0.52 3.10 0.00 0.00 -1.26 -4.60 105.19 102.45 1unb n GLY 38 Ca 0.01 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1unb n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1unb s LEU 39 N 0.00 5.31 0.52 0.99 1.43 -1.26 -4.97 118.68 120.69 1unb s LEU 39 Ca 0.00 -2.92 -0.06 0.00 -1.03 0.00 0.00 54.13 50.12 1unb s LEU 39 Cb 0.00 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1unb s LEU 39 CO 0.00 -0.36 0.84 0.42 0.23 0.00 0.00 176.35 177.48 1unb s THR 40 N -0.16 4.77 0.42 5.49 -4.23 -1.26 -4.71 115.64 115.97 1unb s THR 40 Ca 0.18 0.31 0.10 0.00 -1.18 0.00 0.00 61.69 61.09 1unb s THR 40 Cb -0.19 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.10 1unb s THR 40 CO -0.04 -0.88 2.03 0.44 -0.54 0.00 0.00 174.62 175.64 1unb h ASP 41 N 0.09 0.42 0.27 3.99 3.32 -1.94 -2.89 116.42 119.68 1unb h ASP 41 Ca -0.46 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1unb h ASP 41 Cb 1.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1unb h ASP 41 CO 0.62 0.29 -0.13 0.74 -1.72 0.00 0.00 179.24 179.04 1unb h THR 42 N 0.49 0.74 0.00 0.35 2.02 -1.92 0.11 112.91 114.70 1unb h THR 42 Ca 0.19 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.34 1unb h THR 42 Cb 0.15 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1unb h THR 42 CO -0.05 0.01 -0.05 -0.08 0.37 0.00 0.00 175.52 175.72 1unb h GLU 43 N -0.38 -0.09 -0.88 6.66 4.81 -1.97 -1.22 114.58 121.52 1unb h GLU 43 Ca -0.04 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.36 1unb h GLU 43 Cb 0.29 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.53 1unb h GLU 43 CO 0.06 -0.06 -0.28 1.25 -0.73 0.00 0.00 179.01 179.26 1unb h LEU 44 N -0.09 -1.01 -1.09 1.64 5.85 -1.40 -0.15 115.31 119.06 1unb h LEU 44 Ca 0.02 0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1unb h LEU 44 Cb 0.11 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1unb h LEU 44 CO -0.05 -0.29 -0.06 0.50 -0.34 0.00 0.00 178.44 178.19 1unb h LYS 45 N -0.02 0.57 -0.35 1.25 3.11 0.07 0.14 116.57 121.34 1unb h LYS 45 Ca 0.38 -0.15 -0.17 0.00 -2.81 0.00 0.00 60.65 57.91 1unb h LYS 45 Cb 0.63 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1unb h LYS 45 CO -0.90 0.64 -0.43 1.03 -2.81 0.00 0.00 179.45 176.98 1unb h SER 46 N 0.53 0.98 -0.17 4.20 0.87 -0.08 0.38 113.55 120.26 1unb h SER 46 Ca 0.10 -0.49 -0.17 0.00 -1.23 0.00 0.00 61.79 60.01 1unb h SER 46 Cb 0.44 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1unb h SER 46 CO 0.02 1.27 -0.57 0.00 -0.53 0.00 0.00 176.83 177.02 1unb h ALA 47 N 0.74 0.30 -0.56 6.23 0.00 -0.93 -2.76 119.26 122.28 1unb h ALA 47 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1unb h ALA 47 Cb 1.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1unb h ALA 47 CO 0.10 0.53 0.36 -0.22 0.00 0.00 0.00 179.25 180.02 1unb h LYS 48 N 0.38 0.74 -0.02 0.00 3.64 -0.67 -2.40 116.57 118.24 1unb h LYS 48 Ca -0.02 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1unb h LYS 48 Cb 1.20 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1unb h LYS 48 CO 0.12 0.51 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.26 1unb h ASP 49 N 0.75 -0.31 0.37 4.20 3.32 -0.23 -1.70 116.42 122.83 1unb h ASP 49 Ca 0.20 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1unb h ASP 49 Cb -0.06 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1unb h ASP 49 CO -0.04 -0.15 -0.49 0.25 -1.72 0.00 0.00 179.24 177.09 1unb h LEU 50 N -0.17 0.15 -0.13 1.55 5.85 -1.40 -2.26 115.31 118.89 1unb h LEU 50 Ca 0.04 -0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.48 1unb h LEU 50 Cb 0.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1unb h LEU 50 CO -0.12 0.61 -0.97 1.62 -0.34 0.00 0.00 178.44 179.24 1unb h VAL 51 N 0.11 1.58 -0.22 1.05 3.04 -1.36 -2.66 116.25 117.79 1unb h VAL 51 Ca 0.00 -2.98 -0.14 0.00 -1.01 0.00 0.00 66.70 62.57 1unb h VAL 51 Cb 0.91 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.86 1unb h VAL 51 CO 0.07 0.86 -0.46 0.40 -1.01 0.00 0.00 177.57 177.43 1unb h ILE 52 N 0.05 1.31 -0.64 3.17 1.08 -1.22 0.22 117.51 121.48 1unb h ILE 52 Ca -0.04 -1.65 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 1unb h ILE 52 Cb 1.67 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 37.02 1unb h ILE 52 CO 0.14 0.52 0.37 -0.78 -0.69 0.00 0.00 178.15 177.71 1unb h ASP 53 N 0.45 0.79 -0.53 1.72 3.58 -1.41 -1.39 116.42 119.63 1unb h ASP 53 Ca 0.03 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1unb h ASP 53 Cb 0.97 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 1unb h ASP 53 CO 0.09 0.64 0.31 0.15 -2.88 0.00 0.00 179.24 177.54 1unb h PHE 54 N 0.88 0.71 -0.65 0.28 3.57 -1.09 0.14 116.94 120.77 1unb h PHE 54 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1unb h PHE 54 Cb 0.01 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1unb h PHE 54 CO -0.01 0.50 0.22 0.74 -2.23 0.00 0.00 178.31 177.53 1unb h PHE 55 N 0.71 1.04 0.22 0.41 0.04 -0.54 0.10 116.94 118.91 1unb h PHE 55 Ca 0.19 -0.10 -0.32 0.00 2.80 0.00 0.00 57.97 60.54 1unb h PHE 55 Cb 0.01 -0.30 0.03 0.00 2.20 0.00 0.00 35.95 37.89 1unb h PHE 55 CO -0.02 0.83 -1.48 0.93 -0.60 0.00 0.00 178.31 177.97 1unb h GLU 56 N 0.94 0.47 -0.00 1.51 3.07 -1.23 -3.41 114.58 115.93 1unb h GLU 56 Ca 0.21 -0.80 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1unb h GLU 56 Cb 0.27 0.30 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1unb h GLU 56 CO -0.01 1.38 -0.04 0.72 -1.40 0.00 0.00 179.01 179.66 1unb n HIS 57 N -3.74 0.00 -2.63 4.33 8.25 0.49 -5.00 115.22 116.91 1unb n HIS 57 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.91 1unb n HIS 57 Cb 1.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.12 1unb n HIS 57 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1unb s GLY 58 N -0.63 2.65 0.63 -1.41 0.00 0.35 -4.97 107.32 103.94 1unb s GLY 58 Ca 0.02 0.61 -0.08 0.00 0.00 0.00 0.00 44.72 45.27 1unb s GLY 58 CO 0.06 1.00 0.96 -1.35 0.00 0.00 0.00 173.10 173.77 1unb s SER 59 N -1.74 5.49 0.27 1.64 1.04 -1.26 -4.83 113.70 114.30 1unb s SER 59 Ca 0.59 0.81 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 1unb s SER 59 Cb -0.18 -1.73 0.57 0.00 0.10 0.00 0.00 66.02 64.78 1unb s SER 59 CO 0.23 -1.18 1.72 -0.08 0.98 0.00 0.00 173.24 174.91 1unb h GLU 60 N -0.34 0.45 -0.20 4.02 4.22 -1.99 0.42 114.58 121.16 1unb h GLU 60 Ca -0.45 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 58.90 1unb h GLU 60 Cb 1.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1unb h GLU 60 CO 0.62 0.30 -0.11 0.00 -2.18 0.00 0.00 179.01 177.63 1unb h ALA 61 N 1.61 0.28 -0.79 2.92 0.00 -1.99 -0.56 119.26 120.74 1unb h ALA 61 Ca 0.48 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1unb h ALA 61 Cb 0.79 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1unb h ALA 61 CO -0.45 0.13 0.31 0.93 0.00 0.00 0.00 179.25 180.17 1unb h GLU 62 N 0.12 1.18 -0.24 0.00 5.08 -1.82 -1.72 114.58 117.18 1unb h GLU 62 Ca 0.04 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1unb h GLU 62 Cb 0.61 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1unb h GLU 62 CO 0.03 0.95 0.13 0.87 -1.00 0.00 0.00 179.01 180.00 1unb h LYS 63 N 1.15 0.26 -0.97 2.33 1.57 -0.81 -2.80 116.57 117.30 1unb h LYS 63 Ca 0.26 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 1unb h LYS 63 Cb 0.22 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 1unb h LYS 63 CO -0.02 0.18 0.62 -0.09 -0.57 0.00 0.00 179.45 179.56 1unb h ARG 64 N 0.27 0.86 0.00 3.15 2.43 -0.82 -0.96 114.38 119.31 1unb h ARG 64 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1unb h ARG 64 Cb 0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1unb h ARG 64 CO -0.05 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 178.98 1unb h ALA 65 N 1.57 1.00 -0.06 2.80 0.00 -1.04 -2.20 119.26 121.32 1unb h ALA 65 Ca 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1unb h ALA 65 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1unb h ALA 65 CO -0.26 0.00 -0.50 1.33 0.00 0.00 0.00 179.25 179.81 1unb n VAL 66 N -2.46 2.25 -4.19 0.00 0.24 -0.41 -4.95 118.33 108.80 1unb n VAL 66 Ca 0.03 -3.29 -0.34 0.00 -2.04 0.00 0.00 64.34 58.69 1unb n VAL 66 Cb 0.31 -0.30 -0.11 0.00 -1.47 0.00 0.00 33.84 32.27 1unb n VAL 66 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1unb s THR 67 N -3.33 4.28 0.56 3.34 2.01 -0.83 -0.27 115.64 121.40 1unb s THR 67 Ca 0.39 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 1unb s THR 67 Cb 0.37 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1unb s THR 67 CO -0.06 0.47 1.15 -0.44 -0.69 0.00 0.00 174.62 175.05 1unb s SER 68 N 0.45 5.54 0.55 3.53 0.01 -1.26 -4.94 113.70 117.59 1unb s SER 68 Ca -0.00 2.23 0.34 0.00 1.31 0.00 0.00 55.95 59.82 1unb s SER 68 Cb -0.13 -2.58 1.47 0.00 0.21 0.00 0.00 66.02 64.98 1unb s SER 68 CO 0.02 -1.34 2.02 1.55 0.41 0.00 0.00 173.24 175.90 1unb h PRO 69 N 1.06 0.00 -5.55 12.44 0.13 -1.97 -3.40 132.00 134.71 1unb h PRO 69 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 1unb h PRO 69 Cb 1.27 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.17 1unb h PRO 69 CO 0.56 0.03 -0.72 0.54 -0.23 0.00 0.00 178.00 178.18 1unb s VAL 70 N -3.76 3.43 -1.44 1.56 0.11 -1.26 -5.04 120.40 114.00 1unb s VAL 70 Ca 0.00 -0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 1unb s VAL 70 Cb 0.10 -2.44 0.05 0.00 -1.53 0.00 0.00 36.38 32.55 1unb s VAL 70 CO 0.54 0.53 2.25 -0.81 -3.33 0.00 0.00 175.10 174.28 1unb n PRO 71 N 3.18 3.11 0.00 1.54 -0.04 -1.26 -4.64 135.00 136.89 1unb n PRO 71 Ca -0.18 -2.74 0.11 0.00 -0.04 0.00 0.00 63.50 60.65 1unb n PRO 71 Cb 0.53 -3.16 -0.02 0.00 -0.04 0.00 0.00 33.50 30.80 1unb n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1unb n THR 72 N 4.56 0.00 -2.41 0.52 -2.24 -1.26 -4.97 114.28 108.49 1unb n THR 72 Ca 0.53 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 62.10 1unb n THR 72 Cb 0.37 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1unb n THR 72 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1unb n MET 73 N -1.44 -1.72 0.04 -0.78 2.81 -1.26 -4.92 117.12 109.84 1unb n MET 73 Ca 0.05 0.97 -0.22 0.00 -1.81 0.00 0.00 57.70 56.68 1unb n MET 73 Cb 0.34 -5.59 -0.14 0.00 -0.71 0.00 0.00 33.22 27.11 1unb n MET 73 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1unb h ARG 74 N -0.05 0.32 -3.46 0.03 2.43 -1.93 -3.45 114.38 108.27 1unb h ARG 74 Ca -0.48 -0.55 -0.17 0.00 -0.81 0.00 0.00 59.98 57.97 1unb h ARG 74 Cb 1.35 0.20 -0.24 0.00 -0.42 0.00 0.00 29.97 30.87 1unb h ARG 74 CO 0.56 1.26 -0.53 1.03 -1.51 0.00 0.00 179.97 180.79 1unb s ARG 75 N -2.54 0.32 2.41 0.20 1.81 -1.26 -3.97 118.95 115.92 1unb s ARG 75 Ca -0.18 -0.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 1unb s ARG 75 Cb 0.05 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.69 1unb s ARG 75 CO 0.81 -0.06 0.00 0.41 -0.68 0.00 0.00 175.30 175.77 1unb n GLY 76 N 2.26 -0.95 3.85 -3.53 0.00 -0.31 -4.28 105.19 102.23 1unb n GLY 76 Ca -0.17 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1unb n GLY 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1unb s PHE 77 N 0.00 3.67 -0.19 1.61 5.36 0.63 -1.16 117.98 127.90 1unb s PHE 77 Ca 0.00 0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1unb s PHE 77 Cb 0.00 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.55 1unb s PHE 77 CO 0.00 0.63 0.03 0.99 -1.46 0.00 0.00 175.22 175.41 1unb s THR 78 N -1.16 0.56 0.14 0.12 2.01 -0.38 -4.51 115.64 112.41 1unb s THR 78 Ca 0.25 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1unb s THR 78 Cb -0.15 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.25 1unb s THR 78 CO 0.13 -0.19 1.12 -0.83 -0.69 0.00 0.00 174.62 174.17 1unb s GLY 79 N 1.85 2.73 0.00 4.40 0.00 -1.26 -0.81 107.32 114.23 1unb s GLY 79 Ca -0.01 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1unb s GLY 79 CO -0.08 1.76 0.00 -0.10 0.00 0.00 0.00 173.10 174.69 1unb n LEU 80 N 2.85 0.00 -1.79 0.66 0.00 0.38 -4.19 117.00 114.92 1unb n LEU 80 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.85 1unb n LEU 80 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.87 1unb n LEU 80 CO 0.54 0.00 0.07 0.35 0.00 0.00 0.00 177.39 178.35 1unb n THR 91 N 0.00 0.55 0.00 1.96 -2.24 -1.26 -3.79 114.28 109.50 1unb n THR 91 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1unb n THR 91 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1unb n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1unb n GLY 92 N 0.74 -0.11 3.07 3.38 0.00 -1.26 -5.12 105.19 105.90 1unb n GLY 92 Ca 0.08 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 1unb n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1unb s SER 93 N -4.00 0.27 0.56 1.61 0.15 -1.26 -5.04 113.70 105.99 1unb s SER 93 Ca 0.00 -0.63 0.25 0.00 0.70 0.00 0.00 55.95 56.27 1unb s SER 93 Cb 0.00 0.18 1.59 0.00 -1.71 0.00 0.00 66.02 66.08 1unb s SER 93 CO 0.00 -0.47 2.19 1.88 1.20 0.00 0.00 173.24 178.05 1unb h TYR 94 N 3.84 0.00 0.00 3.44 0.99 -1.93 -2.57 116.97 120.75 1unb h TYR 94 Ca -0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1unb h TYR 94 Cb 1.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.91 1unb h TYR 94 CO 0.58 0.02 0.00 -1.13 -0.00 0.00 0.00 178.16 177.63 1unb n SER 95 N -4.04 0.00 -0.33 3.88 3.41 -1.26 -2.50 113.62 112.78 1unb n SER 95 Ca -0.03 -0.64 -0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1unb n SER 95 Cb 0.11 -0.08 0.16 0.00 -0.26 0.00 0.00 64.21 64.14 1unb n SER 95 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1unb h ASP 96 N 0.00 1.05 1.03 4.04 3.32 -1.78 -2.83 116.42 121.25 1unb h ASP 96 Ca 0.00 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.83 1unb h ASP 96 Cb 0.07 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1unb h ASP 96 CO 0.00 0.74 -0.99 0.22 -1.72 0.00 0.00 179.24 177.50 1unb h TYR 97 N 1.23 0.00 0.00 4.55 5.03 -1.79 -3.45 116.97 122.55 1unb h TYR 97 Ca 0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.67 1unb h TYR 97 Cb -0.08 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1unb h TYR 97 CO -0.00 0.91 0.00 0.45 -1.32 0.00 0.00 178.16 178.20 1unb n SER 98 N -3.30 0.00 -4.33 -2.11 2.88 -1.07 -4.01 113.62 101.68 1unb n SER 98 Ca -0.01 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.28 1unb n SER 98 Cb 0.91 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.25 1unb n SER 98 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1unb s MET 99 N -1.99 1.25 0.07 -1.46 -1.94 -0.74 -0.47 119.30 114.02 1unb s MET 99 Ca 0.00 -1.29 0.05 0.00 -1.71 0.00 0.00 55.69 52.73 1unb s MET 99 Cb 0.00 -1.52 -0.03 0.00 2.01 0.00 0.00 34.83 35.29 1unb s MET 99 CO 0.00 0.34 -0.13 0.00 -0.01 0.00 0.00 175.02 175.22 1unb s TYR 101 N -1.28 1.26 0.05 0.00 5.04 -0.13 -1.25 117.35 121.05 1unb s TYR 101 Ca -0.03 -0.56 0.09 0.00 -2.44 0.00 0.00 57.07 54.13 1unb s TYR 101 Cb -0.10 -1.08 -0.03 0.00 0.35 0.00 0.00 41.96 41.10 1unb s TYR 101 CO 0.02 -0.42 -0.26 -1.12 -1.34 0.00 0.00 175.55 172.43 1unb s SER 102 N 1.56 3.10 0.15 4.32 0.01 -0.31 -1.00 113.70 121.54 1unb s SER 102 Ca 0.01 -0.60 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 1unb s SER 102 Cb -0.13 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1unb s SER 102 CO -0.05 0.24 0.33 0.00 0.41 0.00 0.00 173.24 174.16 1unb s MET 103 N -1.32 1.13 0.00 12.44 0.23 -0.46 -1.16 119.30 130.17 1unb s MET 103 Ca 0.11 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.75 1unb s MET 103 Cb -0.10 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 1unb s MET 103 CO 0.02 -0.43 0.00 0.41 -2.03 0.00 0.00 175.02 173.00 1unb n GLY 104 N -0.21 4.72 0.17 3.16 0.00 -1.26 -1.34 105.19 110.42 1unb n GLY 104 Ca -0.10 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1unb n GLY 104 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1unb h THR 105 N 0.22 0.00 -3.14 2.61 1.35 -1.97 -3.47 112.91 108.50 1unb h THR 105 Ca 0.00 -0.53 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 1unb h THR 105 Cb 0.00 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1unb h THR 105 CO 0.00 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.48 1unb s ALA 106 N -3.29 -0.57 -1.48 6.62 0.00 -1.26 -4.97 121.76 116.81 1unb s ALA 106 Ca 0.06 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1unb s ALA 106 Cb 0.09 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1unb s ALA 106 CO 0.55 -0.96 0.82 -0.25 0.00 0.00 0.00 175.76 175.91 1unb n ASP 107 N -1.37 -5.96 -4.90 0.00 8.00 -1.26 -4.98 116.55 106.08 1unb n ASP 107 Ca -0.07 -0.42 -0.28 0.00 0.71 0.00 0.00 54.79 54.73 1unb n ASP 107 Cb 0.60 -4.77 -0.01 0.00 -0.02 0.00 0.00 41.12 36.92 1unb n ASP 107 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1unb s ASN 108 N -2.95 6.34 -0.18 -2.24 0.01 -1.26 -4.90 114.94 109.75 1unb s ASN 108 Ca 0.43 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.59 1unb s ASN 108 Cb -0.20 -2.28 0.04 0.00 0.41 0.00 0.00 41.25 39.23 1unb s ASN 108 CO 0.54 -0.53 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.76 1unb s LEU 109 N -4.48 1.93 -0.08 0.60 1.43 -1.26 -5.02 118.68 111.80 1unb s LEU 109 Ca 0.49 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1unb s LEU 109 Cb -0.10 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 1unb s LEU 109 CO 0.41 -0.17 -0.24 -0.36 0.23 0.00 0.00 176.35 176.22 1unb s PHE 110 N 1.52 2.48 0.40 0.29 0.40 -1.26 -4.46 117.98 117.35 1unb s PHE 110 Ca -0.00 -0.93 0.32 0.00 -0.60 0.00 0.00 56.93 55.72 1unb s PHE 110 Cb -0.16 -1.65 1.61 0.00 0.51 0.00 0.00 43.02 43.33 1unb s PHE 110 CO -0.08 -0.35 2.11 -1.35 0.70 0.00 0.00 175.22 176.25 1unb h PRO 111 N 6.50 0.00 -2.06 0.24 0.11 -1.96 -3.47 132.00 131.37 1unb h PRO 111 Ca -0.24 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.11 1unb h PRO 111 Cb 1.22 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 1unb h PRO 111 CO 0.47 0.08 0.62 -1.54 -0.21 0.00 0.00 178.00 177.42 1unb s SER 112 N -5.88 -0.11 0.39 -2.05 1.04 -1.26 -5.00 113.70 100.82 1unb s SER 112 Ca -0.02 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.14 1unb s SER 112 Cb 0.12 0.37 0.82 0.00 0.10 0.00 0.00 66.02 67.43 1unb s SER 112 CO 0.55 -0.70 2.00 1.23 0.98 0.00 0.00 173.24 177.30 1unb h GLY 113 N 2.00 0.76 0.87 7.32 0.00 -1.99 -0.88 103.07 111.16 1unb h GLY 113 Ca -0.27 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1unb h GLY 113 CO 0.28 0.21 -0.16 -1.80 0.00 0.00 0.00 176.54 175.07 1unb h ASP 114 N 0.64 0.58 -0.20 0.19 1.82 -2.00 -1.54 116.42 115.90 1unb h ASP 114 Ca 0.25 -0.43 0.03 0.00 -0.39 0.00 0.00 57.03 56.49 1unb h ASP 114 Cb 0.17 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1unb h ASP 114 CO -0.07 0.88 0.02 0.15 -1.61 0.00 0.00 179.24 178.61 1unb h PHE 115 N 0.27 0.03 -0.28 0.28 3.04 -1.90 -2.67 116.94 115.71 1unb h PHE 115 Ca 0.05 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.07 1unb h PHE 115 Cb 0.68 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 1unb h PHE 115 CO 0.07 -0.00 -0.07 1.49 -2.02 0.00 0.00 178.31 177.78 1unb h GLU 116 N 0.09 0.00 -0.25 1.11 4.81 -1.14 0.11 114.58 119.32 1unb h GLU 116 Ca 0.09 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1unb h GLU 116 Cb 0.10 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1unb h GLU 116 CO -0.14 0.00 0.02 0.07 -0.73 0.00 0.00 179.01 178.23 1unb h ARG 117 N 0.00 0.10 -0.29 1.92 0.11 -1.20 0.11 114.38 115.14 1unb h ARG 117 Ca 0.14 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.17 1unb h ARG 117 Cb 0.20 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1unb h ARG 117 CO -0.29 0.06 0.03 0.82 0.10 0.00 0.00 179.97 180.70 1unb h ILE 118 N 0.10 1.24 0.00 0.08 2.04 -1.13 -2.65 117.51 117.19 1unb h ILE 118 Ca 0.12 -0.84 -0.17 0.00 1.00 0.00 0.00 64.86 64.96 1unb h ILE 118 Cb 0.14 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1unb h ILE 118 CO -0.18 0.27 -0.81 -0.50 0.00 0.00 0.00 178.15 176.93 1unb h TRP 119 N 0.29 0.01 -0.25 1.37 4.06 -0.67 -1.59 115.95 119.17 1unb h TRP 119 Ca 0.08 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 1unb h TRP 119 Cb 0.37 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 1unb h TRP 119 CO 0.03 0.81 0.06 1.15 -3.56 0.00 0.00 178.44 176.93 1unb h THR 120 N 0.00 1.21 -0.64 1.49 2.02 -0.72 0.15 112.91 116.43 1unb h THR 120 Ca -0.01 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1unb h THR 120 Cb 1.43 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1unb h THR 120 CO 0.11 0.22 0.42 -0.61 0.37 0.00 0.00 175.52 176.03 1unb h GLN 121 N 0.23 0.82 -0.18 6.66 5.75 -1.40 -0.50 115.11 126.49 1unb h GLN 121 Ca 0.08 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1unb h GLN 121 Cb 0.28 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1unb h GLN 121 CO 0.00 0.54 0.03 -0.92 -2.65 0.00 0.00 178.83 175.83 1unb h TYR 122 N 0.85 0.32 -0.44 3.99 3.20 -1.10 -1.42 116.97 122.36 1unb h TYR 122 Ca 0.24 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1unb h TYR 122 Cb -0.07 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 1unb h TYR 122 CO -0.03 0.46 0.10 0.35 -1.64 0.00 0.00 178.16 177.39 1unb h PHE 123 N 0.08 0.16 -0.72 -3.82 3.57 -0.59 -0.95 116.94 114.68 1unb h PHE 123 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1unb h PHE 123 Cb 0.31 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1unb h PHE 123 CO 0.02 0.02 0.36 0.22 -2.23 0.00 0.00 178.31 176.70 1unb h ASP 124 N 0.23 0.93 -0.92 0.41 1.82 -0.76 0.66 116.42 118.79 1unb h ASP 124 Ca 0.21 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1unb h ASP 124 Cb 0.26 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 39.99 1unb h ASP 124 CO -0.27 0.79 0.58 0.03 -1.61 0.00 0.00 179.24 178.76 1unb h ARG 125 N 1.01 1.23 -0.37 0.28 3.08 -0.92 0.43 114.38 119.12 1unb h ARG 125 Ca 0.25 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1unb h ARG 125 Cb 0.09 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1unb h ARG 125 CO -0.03 0.84 0.13 1.96 -1.07 0.00 0.00 179.97 181.80 1unb h GLN 126 N 1.26 0.57 -0.39 0.04 1.08 -0.54 -1.82 115.11 115.32 1unb h GLN 126 Ca 0.33 -0.11 -0.15 0.00 -1.45 0.00 0.00 58.65 57.27 1unb h GLN 126 Cb -0.10 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 1unb h GLN 126 CO -0.07 0.57 -0.34 -0.92 -0.95 0.00 0.00 178.83 177.12 1unb h TYR 127 N 0.46 1.05 -0.06 2.96 3.20 -0.56 -0.60 116.97 123.41 1unb h TYR 127 Ca 0.12 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 1unb h TYR 127 Cb 0.23 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1unb h TYR 127 CO 0.00 1.10 0.02 1.15 -1.64 0.00 0.00 178.16 178.79 1unb h THR 128 N 0.74 1.18 -0.83 1.81 2.02 -0.87 -0.35 112.91 116.61 1unb h THR 128 Ca 0.07 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1unb h THR 128 Cb 0.92 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 1unb h THR 128 CO 0.08 0.15 0.53 0.00 0.37 0.00 0.00 175.52 176.66 1unb h ALA 129 N 0.81 1.10 -0.14 6.16 0.00 -1.22 -0.51 119.26 125.47 1unb h ALA 129 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1unb h ALA 129 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1unb h ALA 129 CO -0.00 0.35 0.05 0.66 0.00 0.00 0.00 179.25 180.30 1unb h SER 130 N 1.02 0.19 -0.97 0.00 4.64 -0.87 0.22 113.55 117.79 1unb h SER 130 Ca 0.34 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1unb h SER 130 Cb 0.04 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1unb h SER 130 CO -0.12 0.32 0.64 0.03 -0.87 0.00 0.00 176.83 176.83 1unb h ARG 131 N 0.05 1.27 -0.36 4.77 3.08 -0.92 -0.83 114.38 121.44 1unb h ARG 131 Ca 0.04 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1unb h ARG 131 Cb 0.20 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1unb h ARG 131 CO -0.00 0.84 0.03 0.00 -1.07 0.00 0.00 179.97 179.77 1unb h ALA 132 N 1.40 0.48 -0.29 0.04 0.00 -0.80 0.37 119.26 120.45 1unb h ALA 132 Ca 0.36 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1unb h ALA 132 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1unb h ALA 132 CO -0.08 0.21 -0.44 -0.24 0.00 0.00 0.00 179.25 178.70 1unb h VAL 133 N 0.44 1.29 -0.86 0.00 3.04 -0.80 -2.45 116.25 116.91 1unb h VAL 133 Ca 0.11 -1.62 0.03 0.00 -1.01 0.00 0.00 66.70 64.20 1unb h VAL 133 Cb 0.40 1.53 -0.05 0.00 -2.01 0.00 0.00 31.29 31.17 1unb h VAL 133 CO 0.01 0.53 0.56 0.00 -1.01 0.00 0.00 177.57 177.66 1unb h ALA 134 N 0.91 1.46 -0.87 3.17 0.00 -0.94 0.79 119.26 123.79 1unb h ALA 134 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1unb h ALA 134 Cb 1.00 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1unb h ALA 134 CO 0.09 0.45 0.50 -0.09 0.00 0.00 0.00 179.25 180.20 1unb h ARG 135 N 1.07 1.19 -0.31 0.00 2.43 -0.67 -0.93 114.38 117.17 1unb h ARG 135 Ca 0.34 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1unb h ARG 135 Cb 0.02 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1unb h ARG 135 CO -0.10 0.85 -0.26 0.93 -1.51 0.00 0.00 179.97 179.89 1unb h GLU 136 N 1.20 0.61 -0.52 0.20 4.39 -0.82 -0.63 114.58 119.01 1unb h GLU 136 Ca 0.31 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 1unb h GLU 136 Cb -0.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1unb h GLU 136 CO -0.05 0.82 -0.02 0.28 -1.16 0.00 0.00 179.01 178.87 1unb h VAL 137 N 0.53 1.27 -0.13 3.13 2.07 -0.35 0.14 116.25 122.90 1unb h VAL 137 Ca 0.07 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1unb h VAL 137 Cb 0.73 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1unb h VAL 137 CO 0.06 0.40 -0.09 -0.07 0.02 0.00 0.00 177.57 177.89 1unb h LEU 138 N 0.81 0.31 -0.32 2.57 3.38 -0.96 -2.81 115.31 118.28 1unb h LEU 138 Ca 0.15 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1unb h LEU 138 Cb 0.56 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1unb h LEU 138 CO 0.03 0.68 0.12 -0.09 0.09 0.00 0.00 178.44 179.27 1unb h ARG 139 N -0.06 0.26 -0.49 1.13 2.43 -1.07 -0.93 114.38 115.65 1unb h ARG 139 Ca 0.03 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1unb h ARG 139 Cb 0.57 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1unb h ARG 139 CO 0.02 0.17 0.38 0.00 -1.51 0.00 0.00 179.97 179.03 1unb h ALA 140 N 1.19 2.40 -0.33 2.80 0.00 -0.91 -1.62 119.26 122.79 1unb h ALA 140 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1unb h ALA 140 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1unb h ALA 140 CO -0.13 -0.63 0.00 0.25 0.00 0.00 0.00 179.25 178.74 1unb n THR 141 N -4.25 0.70 -3.04 0.00 -2.24 -1.02 -4.92 114.28 99.51 1unb n THR 141 Ca 0.09 -0.85 -0.22 0.00 -2.27 0.00 0.00 64.05 60.80 1unb n THR 141 Cb 0.59 0.74 0.04 0.00 -2.10 0.00 0.00 70.33 69.60 1unb n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1unb n GLY 142 N 0.85 -0.47 3.58 3.38 0.00 -0.61 -4.97 105.19 106.94 1unb n GLY 142 Ca 0.13 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1unb n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1unb s THR 143 N -3.17 5.00 -0.39 2.61 2.01 -0.40 -5.03 115.64 116.26 1unb s THR 143 Ca 0.32 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 1unb s THR 143 Cb -0.14 -3.34 0.08 0.00 0.01 0.00 0.00 72.50 69.11 1unb s THR 143 CO 0.39 0.33 0.19 -0.70 -0.69 0.00 0.00 174.62 174.15 1unb s GLU 144 N 1.32 2.40 0.59 4.92 2.56 -1.26 -4.59 118.70 124.65 1unb s GLU 144 Ca 0.06 -1.52 -0.20 0.00 0.00 0.00 0.00 54.97 53.31 1unb s GLU 144 Cb -0.15 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.34 1unb s GLU 144 CO 0.06 -0.92 1.33 -2.14 -0.56 0.00 0.00 175.26 173.03 1unb s PRO 145 N 1.31 2.87 -0.04 4.30 0.02 -1.26 -4.86 135.00 137.34 1unb s PRO 145 Ca 0.03 2.16 -0.37 0.00 0.02 0.00 0.00 61.00 62.84 1unb s PRO 145 Cb -0.22 -2.07 -0.15 0.00 0.02 0.00 0.00 34.50 32.08 1unb s PRO 145 CO -0.00 -1.38 1.60 -3.47 -0.33 0.00 0.00 177.00 173.42 1unb n ASP 146 N -1.43 2.45 0.00 2.53 2.03 -1.26 -0.36 116.55 120.50 1unb n ASP 146 Ca 0.13 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.51 1unb n ASP 146 Cb 0.46 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 1unb n ASP 146 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1unb n GLY 147 N 3.52 0.64 0.00 0.27 0.00 -1.26 -4.73 105.19 103.63 1unb n GLY 147 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1unb n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1unb n GLY 148 N -2.00 0.27 0.05 -0.02 0.00 0.51 -4.56 105.19 99.44 1unb n GLY 148 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1unb n GLY 148 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1unb h VAL 149 N 0.00 1.10 -0.27 1.61 2.07 -1.92 -2.58 116.25 116.26 1unb h VAL 149 Ca 0.00 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1unb h VAL 149 Cb 0.00 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1unb h VAL 149 CO 0.00 0.08 -0.38 -0.33 0.02 0.00 0.00 177.57 176.96 1unb h GLU 150 N -0.15 0.63 -0.16 1.57 4.39 -1.98 -1.83 114.58 117.06 1unb h GLU 150 Ca -0.00 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1unb h GLU 150 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1unb h GLU 150 CO 0.00 0.91 -0.23 0.00 -1.16 0.00 0.00 179.01 178.53 1unb h ALA 151 N 1.05 1.32 -0.31 3.43 0.00 -1.80 -2.19 119.26 120.76 1unb h ALA 151 Ca 0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1unb h ALA 151 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1unb h ALA 151 CO 0.08 0.46 -0.35 0.35 0.00 0.00 0.00 179.25 179.79 1unb h PHE 152 N 0.26 0.83 0.00 0.00 3.57 -1.00 -3.26 116.94 117.33 1unb h PHE 152 Ca 0.04 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1unb h PHE 152 Cb 0.55 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1unb h PHE 152 CO 0.01 0.96 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.43 1unb h LEU 153 N 0.59 0.00 -8.02 0.59 3.38 -1.03 -3.40 115.31 107.42 1unb h LEU 153 Ca 0.06 -0.16 -0.67 0.00 0.09 0.00 0.00 57.88 57.20 1unb h LEU 153 Cb 0.88 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 1unb h LEU 153 CO 0.08 0.08 0.99 -0.62 0.09 0.00 0.00 178.44 179.06 1unb s ASP 154 N -4.45 6.58 0.00 -0.43 2.15 -0.85 -4.87 116.67 114.80 1unb s ASP 154 Ca 0.06 -1.87 0.00 0.00 0.43 0.00 0.00 52.55 51.18 1unb s ASP 154 Cb 0.13 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1unb s ASP 154 CO 0.71 -1.19 0.00 0.00 -0.17 0.00 0.00 175.17 174.52 1unb n GLU 156 N 0.00 2.11 -1.67 0.00 -0.58 -0.44 -4.88 120.64 115.18 1unb n GLU 156 Ca 0.00 -4.18 -0.34 0.00 -0.42 0.00 0.00 57.16 52.22 1unb n GLU 156 Cb 0.00 -1.95 0.06 0.00 -0.57 0.00 0.00 31.44 28.99 1unb n GLU 156 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1unb s PRO 157 N -2.68 2.55 -0.03 3.49 0.04 -1.26 -4.05 135.00 133.06 1unb s PRO 157 Ca 0.43 1.62 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1unb s PRO 157 Cb 0.26 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.93 1unb s PRO 157 CO -0.09 -1.48 -0.01 -1.17 0.04 0.00 0.00 177.00 174.28 1unb s LEU 158 N -4.84 1.21 -0.19 -3.56 2.96 -0.47 -4.56 118.68 109.23 1unb s LEU 158 Ca 0.72 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.54 1unb s LEU 158 Cb -0.26 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 1unb s LEU 158 CO 0.41 -0.09 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.12 1unb s LEU 159 N 0.98 3.22 -0.09 -0.68 2.96 -0.45 -0.65 118.68 123.96 1unb s LEU 159 Ca -0.10 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1unb s LEU 159 Cb -0.14 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1unb s LEU 159 CO -0.01 0.08 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.84 1unb s ARG 160 N 0.90 1.92 -0.20 1.98 0.52 -0.02 -1.35 118.95 122.70 1unb s ARG 160 Ca 0.01 -0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 54.70 1unb s ARG 160 Cb -0.14 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1unb s ARG 160 CO 0.02 -0.07 0.01 0.12 0.02 0.00 0.00 175.30 175.41 1unb s PHE 161 N 1.00 3.06 0.08 -0.53 2.19 -0.17 -0.33 117.98 123.29 1unb s PHE 161 Ca -0.07 -0.40 0.09 0.00 0.33 0.00 0.00 56.93 56.88 1unb s PHE 161 Cb -0.15 -2.10 -0.03 0.00 -1.31 0.00 0.00 43.02 39.43 1unb s PHE 161 CO -0.01 -0.21 -0.25 1.03 1.83 0.00 0.00 175.22 177.61 1unb s ARG 162 N 1.01 1.48 -0.13 10.12 0.52 -0.23 -0.95 118.95 130.77 1unb s ARG 162 Ca 0.02 -1.17 0.01 0.00 -0.52 0.00 0.00 55.73 54.06 1unb s ARG 162 Cb -0.14 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 1unb s ARG 162 CO 0.02 0.44 -0.15 -0.47 0.02 0.00 0.00 175.30 175.16 1unb s TYR 163 N -0.95 2.77 -0.23 -0.53 5.04 -0.17 -1.90 117.35 121.38 1unb s TYR 163 Ca 0.11 -0.77 -0.03 0.00 -2.44 0.00 0.00 57.07 53.94 1unb s TYR 163 Cb -0.10 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.39 1unb s TYR 163 CO 0.04 -0.29 -0.06 -0.06 -1.34 0.00 0.00 175.55 173.84 1unb s PHE 164 N 0.43 2.99 1.00 4.97 0.40 0.23 -1.79 117.98 126.22 1unb s PHE 164 Ca -0.11 -1.24 -0.12 0.00 -0.60 0.00 0.00 56.93 54.86 1unb s PHE 164 Cb -0.16 -2.08 0.17 0.00 0.51 0.00 0.00 43.02 41.45 1unb s PHE 164 CO 0.05 -0.65 0.93 -2.30 0.70 0.00 0.00 175.22 173.96 1unb n PRO 165 N 4.74 -1.02 -2.34 0.24 -0.02 -1.26 -1.56 135.00 133.78 1unb n PRO 165 Ca -0.18 -0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 60.65 1unb n PRO 165 Cb 0.49 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1unb n PRO 165 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1unb s GLN 166 N -4.35 3.17 0.18 -0.52 -2.07 -1.26 -4.37 119.66 110.44 1unb s GLN 166 Ca 0.65 0.42 -0.06 0.00 -1.82 0.00 0.00 55.36 54.55 1unb s GLN 166 Cb -0.23 -4.18 0.29 0.00 -1.09 0.00 0.00 33.01 27.80 1unb s GLN 166 CO 0.62 -2.10 1.04 1.28 -1.32 0.00 0.00 175.29 174.81 1unb n LEU 178 N 10.13 -0.27 0.00 2.60 4.77 -1.26 -4.85 117.00 128.12 1unb n LEU 178 Ca 0.13 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1unb n LEU 178 Cb 0.50 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1unb n LEU 178 CO 0.71 -1.09 0.00 -1.14 -1.33 0.00 0.00 177.39 174.53 1unb n ARG 179 N -5.07 0.00 -3.71 3.23 0.63 -1.20 -2.28 116.66 108.26 1unb n ARG 179 Ca 0.10 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.84 1unb n ARG 179 Cb 0.32 0.00 -0.18 0.00 0.45 0.00 0.00 32.46 33.06 1unb n ARG 179 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1unb s MET 180 N 0.00 0.02 0.79 -0.14 0.00 -1.02 -4.96 119.30 114.00 1unb s MET 180 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 55.69 55.89 1unb s MET 180 Cb 0.00 -0.52 0.07 0.00 0.00 0.00 0.00 34.83 34.38 1unb s MET 180 CO 0.00 -0.29 1.09 0.00 0.00 0.00 0.00 175.02 175.82 1unb s ALA 181 N 1.93 2.14 0.29 4.11 0.00 -1.26 -1.77 121.76 127.20 1unb s ALA 181 Ca 0.02 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 1unb s ALA 181 Cb -0.12 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 1unb s ALA 181 CO -0.03 -1.89 1.44 -2.14 0.00 0.00 0.00 175.76 173.14 1unb s PRO 182 N -4.89 4.24 0.16 0.00 0.02 -1.26 -4.64 135.00 128.64 1unb s PRO 182 Ca 0.62 2.36 -0.23 0.00 0.02 0.00 0.00 61.00 63.76 1unb s PRO 182 Cb -0.18 -3.07 0.07 0.00 0.02 0.00 0.00 34.50 31.34 1unb s PRO 182 CO 0.56 -0.42 0.65 -3.38 -0.33 0.00 0.00 177.00 174.09 1unb s HIS 183 N -0.40 -0.46 0.28 6.54 -3.43 -0.47 -4.54 115.29 112.79 1unb s HIS 183 Ca 0.57 0.22 0.08 0.00 -0.80 0.00 0.00 55.06 55.13 1unb s HIS 183 Cb -0.43 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1unb s HIS 183 CO 0.49 -0.88 0.10 1.52 -2.00 0.00 0.00 174.74 173.97 1unb s TYR 184 N -3.71 2.85 0.27 0.38 -0.85 -0.28 -1.01 117.35 115.00 1unb s TYR 184 Ca 0.03 -0.21 -0.03 0.00 -0.52 0.00 0.00 57.07 56.34 1unb s TYR 184 Cb -0.02 -1.36 -0.05 0.00 0.38 0.00 0.00 41.96 40.91 1unb s TYR 184 CO -0.09 0.52 0.51 -0.51 -1.52 0.00 0.00 175.55 174.45 1unb s ASP 185 N -3.77 6.42 -0.20 -0.18 1.01 -1.26 -1.03 116.67 117.65 1unb s ASP 185 Ca 0.33 0.61 0.16 0.00 0.71 0.00 0.00 52.55 54.36 1unb s ASP 185 Cb -0.06 -2.10 0.65 0.00 1.01 0.00 0.00 42.92 42.42 1unb s ASP 185 CO 0.22 -0.16 1.56 0.18 0.21 0.00 0.00 175.17 177.19 1unb n LEU 186 N -0.90 4.66 -4.92 1.23 4.77 -0.19 -0.99 117.00 120.67 1unb n LEU 186 Ca -0.03 -2.97 -0.28 0.00 -0.03 0.00 0.00 56.01 52.71 1unb n LEU 186 Cb 0.54 -0.60 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1unb n LEU 186 CO 0.48 0.66 0.74 -0.94 -1.33 0.00 0.00 177.39 177.00 1unb s SER 187 N -1.44 4.28 -0.00 -1.43 1.04 -1.26 -4.12 113.70 110.76 1unb s SER 187 Ca 0.47 0.50 -0.17 0.00 0.48 0.00 0.00 55.95 57.24 1unb s SER 187 Cb 0.37 -0.93 -0.09 0.00 0.10 0.00 0.00 66.02 65.46 1unb s SER 187 CO 0.12 -2.00 0.86 -0.03 0.98 0.00 0.00 173.24 173.17 1unb h MET 188 N -1.02 -0.58 -4.69 4.02 4.05 -1.42 -1.04 114.93 114.24 1unb h MET 188 Ca -0.45 0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 58.77 1unb h MET 188 Cb 1.30 0.13 -0.16 0.00 -0.80 0.00 0.00 31.60 32.08 1unb h MET 188 CO 0.57 -0.39 -0.70 0.14 0.23 0.00 0.00 176.91 176.75 1unb s VAL 189 N -3.69 0.73 -0.07 -5.77 -7.23 -1.25 -1.61 120.40 101.52 1unb s VAL 189 Ca -0.09 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1unb s VAL 189 Cb 0.01 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.39 1unb s VAL 189 CO 0.27 -0.80 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.22 1unb s THR 190 N -3.30 1.32 -0.16 5.32 2.01 0.43 -1.28 115.64 119.98 1unb s THR 190 Ca 0.10 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1unb s THR 190 Cb 0.03 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 1unb s THR 190 CO -0.04 0.39 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 1unb s LEU 191 N 0.50 3.24 -0.14 4.42 1.02 0.09 -0.91 118.68 126.90 1unb s LEU 191 Ca -0.13 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1unb s LEU 191 Cb -0.15 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.30 1unb s LEU 191 CO 0.04 0.17 -0.14 -0.63 0.02 0.00 0.00 176.35 175.81 1unb s ILE 192 N 0.38 1.53 -0.14 -0.59 1.01 0.46 -0.45 121.20 123.40 1unb s ILE 192 Ca -0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1unb s ILE 192 Cb -0.14 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1unb s ILE 192 CO 0.03 0.45 -0.05 -1.10 0.00 0.00 0.00 174.94 174.27 1unb s GLN 193 N 1.41 3.55 0.30 2.79 -0.21 -0.06 -1.66 119.66 125.79 1unb s GLN 193 Ca 0.03 -0.54 0.11 0.00 0.02 0.00 0.00 55.36 54.98 1unb s GLN 193 Cb -0.13 -2.85 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 1unb s GLN 193 CO -0.09 0.29 -0.15 -0.65 -2.12 0.00 0.00 175.29 172.57 1unb s GLN 194 N 0.22 1.76 0.03 2.91 -0.21 -1.26 0.03 119.66 123.13 1unb s GLN 194 Ca -0.03 -1.82 0.05 0.00 0.02 0.00 0.00 55.36 53.58 1unb s GLN 194 Cb -0.14 -1.76 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 1unb s GLN 194 CO 0.03 0.26 -0.08 0.95 -2.12 0.00 0.00 175.29 174.33 1unb s THR 195 N -2.54 3.51 0.66 -0.19 -4.23 -0.75 -4.87 115.64 107.23 1unb s THR 195 Ca 0.31 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1unb s THR 195 Cb -0.02 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 1unb s THR 195 CO 0.16 0.32 1.07 -2.16 -0.54 0.00 0.00 174.62 173.47 1unb s PRO 196 N -1.62 2.96 0.16 3.99 0.04 -1.26 -4.05 135.00 135.22 1unb s PRO 196 Ca 0.18 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 1unb s PRO 196 Cb -0.11 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1unb s PRO 196 CO 0.09 -1.09 1.27 0.00 0.04 0.00 0.00 177.00 177.31 1unb h ALA 198 N 5.84 1.39 -0.00 0.00 0.00 -1.78 -1.42 119.26 123.28 1unb h ALA 198 Ca -0.44 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1unb h ALA 198 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1unb h ALA 198 CO 0.79 -0.31 0.00 0.27 0.00 0.00 0.00 179.25 180.00 1unb n ASN 199 N -5.03 0.02 0.00 0.00 0.23 -1.15 -4.94 115.26 104.39 1unb n ASN 199 Ca 0.21 -1.40 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 1unb n ASN 199 Cb 0.62 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1unb n ASN 199 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1unb n GLY 200 N 0.81 1.45 3.77 4.83 0.00 -0.54 -5.04 105.19 110.47 1unb n GLY 200 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1unb n GLY 200 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1unb s PHE 201 N -3.01 2.61 -0.39 1.61 5.36 -1.26 -4.93 117.98 117.96 1unb s PHE 201 Ca 0.00 1.32 -0.04 0.00 -0.96 0.00 0.00 56.93 57.25 1unb s PHE 201 Cb 0.00 -3.82 0.09 0.00 -0.34 0.00 0.00 43.02 38.95 1unb s PHE 201 CO 0.00 -2.59 0.17 0.08 -1.46 0.00 0.00 175.22 171.43 1unb s VAL 202 N -1.23 3.47 0.01 3.12 1.01 -1.26 -4.32 120.40 121.20 1unb s VAL 202 Ca 0.59 -1.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 1unb s VAL 202 Cb -0.41 -3.23 -0.32 0.00 0.00 0.00 0.00 36.38 32.42 1unb s VAL 202 CO 0.53 -0.52 1.00 0.28 0.00 0.00 0.00 175.10 176.40 1unb h SER 203 N 8.13 0.72 -3.44 3.32 0.02 -1.89 -3.46 113.55 116.95 1unb h SER 203 Ca -0.17 -0.89 -0.54 0.00 -0.84 0.00 0.00 61.79 59.35 1unb h SER 203 Cb 1.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1unb h SER 203 CO 0.68 1.55 0.35 -0.22 -1.14 0.00 0.00 176.83 178.04 1unb s LEU 204 N -7.83 4.39 0.02 5.07 2.96 -1.26 0.01 118.68 122.04 1unb s LEU 204 Ca -0.11 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.47 1unb s LEU 204 Cb 0.03 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1unb s LEU 204 CO 0.90 -0.21 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.58 1unb s GLN 205 N 0.79 0.33 0.06 1.98 -0.21 -0.79 -0.59 119.66 121.23 1unb s GLN 205 Ca 0.50 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.33 1unb s GLN 205 Cb -0.21 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.75 1unb s GLN 205 CO 0.28 -0.01 -0.05 0.00 -2.12 0.00 0.00 175.29 173.38 1unb s ALA 206 N -1.21 0.60 -0.11 6.09 0.00 -0.82 -1.08 121.76 125.23 1unb s ALA 206 Ca -0.12 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1unb s ALA 206 Cb -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1unb s ALA 206 CO -0.01 -0.20 1.08 -2.00 0.00 0.00 0.00 175.76 174.63 1unb s GLU 207 N -2.88 4.37 -0.04 0.00 -6.30 -0.33 -0.29 118.70 113.22 1unb s GLU 207 Ca 0.00 1.48 -0.02 0.00 -2.50 0.00 0.00 54.97 53.94 1unb s GLU 207 Cb -0.00 -3.57 0.03 0.00 0.00 0.00 0.00 34.13 30.59 1unb s GLU 207 CO -0.04 -0.41 0.06 0.08 0.02 0.00 0.00 175.26 174.97 1unb s VAL 208 N 2.28 -0.11 -1.54 3.70 1.01 0.55 -4.74 120.40 121.54 1unb s VAL 208 Ca 0.50 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 1unb s VAL 208 Cb -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1unb s VAL 208 CO 0.17 0.16 0.32 0.61 0.00 0.00 0.00 175.10 176.36 1unb n GLY 209 N 5.08 -0.43 2.22 4.51 0.00 -1.26 -2.30 105.19 113.01 1unb n GLY 209 Ca -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 1unb n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1unb n GLY 210 N -1.28 0.39 3.13 -0.02 0.00 -1.26 -5.00 105.19 101.16 1unb n GLY 210 Ca -0.16 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1unb n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1unb s ALA 211 N -1.78 0.89 -0.35 4.61 0.00 -0.97 -5.09 121.76 119.07 1unb s ALA 211 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 1unb s ALA 211 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1unb s ALA 211 CO 0.00 -0.08 1.30 -0.06 0.00 0.00 0.00 175.76 176.91 1unb s PHE 212 N -2.39 2.65 -0.15 0.00 2.99 -1.26 -0.33 117.98 119.48 1unb s PHE 212 Ca 0.02 0.82 -0.05 0.00 0.00 0.00 0.00 56.93 57.72 1unb s PHE 212 Cb -0.03 -4.07 -0.03 0.00 0.00 0.00 0.00 43.02 38.89 1unb s PHE 212 CO -0.01 -1.67 0.02 0.99 -0.00 0.00 0.00 175.22 174.54 1unb s THR 213 N 4.63 4.43 0.40 0.64 2.01 0.60 -4.90 115.64 123.45 1unb s THR 213 Ca 0.56 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.13 1unb s THR 213 Cb -0.14 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.31 1unb s THR 213 CO 0.26 0.51 1.28 0.47 -0.69 0.00 0.00 174.62 176.45 1unb n ASP 214 N 3.17 2.64 -3.74 3.53 8.00 -1.26 -1.94 116.55 126.94 1unb n ASP 214 Ca -0.17 1.13 -0.28 0.00 0.71 0.00 0.00 54.79 56.18 1unb n ASP 214 Cb 0.53 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 40.01 1unb n ASP 214 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1unb s LEU 215 N -1.56 3.63 0.61 0.64 1.43 0.25 -4.89 118.68 118.80 1unb s LEU 215 Ca 0.59 -3.50 -0.13 0.00 -1.03 0.00 0.00 54.13 50.06 1unb s LEU 215 Cb -0.52 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1unb s LEU 215 CO 0.59 -0.13 1.03 -2.16 0.23 0.00 0.00 176.35 175.92 1unb s PRO 216 N -0.83 3.42 0.24 1.29 0.04 -1.26 -4.50 135.00 133.40 1unb s PRO 216 Ca 0.26 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 1unb s PRO 216 Cb -0.04 -2.06 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 1unb s PRO 216 CO -0.16 -0.71 1.11 0.98 0.04 0.00 0.00 177.00 178.26 1unb n TYR 217 N -2.45 1.39 -3.95 0.56 9.36 -1.26 -5.02 117.16 115.79 1unb n TYR 217 Ca 0.07 0.66 -0.26 0.00 3.32 0.00 0.00 57.90 61.69 1unb n TYR 217 Cb 0.54 -2.29 -0.17 0.00 -0.63 0.00 0.00 39.34 36.79 1unb n TYR 217 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1unb s ARG 218 N -1.00 1.44 0.55 2.98 1.81 -1.26 -5.04 118.95 118.42 1unb s ARG 218 Ca 0.65 -0.23 0.33 0.00 -1.72 0.00 0.00 55.73 54.77 1unb s ARG 218 Cb -0.75 -1.50 1.41 0.00 -0.45 0.00 0.00 34.95 33.67 1unb s ARG 218 CO 0.56 -0.24 2.00 -1.00 -0.68 0.00 0.00 175.30 175.94 1unb h PRO 219 N 8.07 0.00 -0.37 3.54 0.13 -1.96 -2.51 132.00 138.90 1unb h PRO 219 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1unb h PRO 219 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1unb h PRO 219 CO 0.40 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 177.79 1unb n ASP 220 N -3.13 3.10 -3.77 1.44 5.75 -1.26 -3.45 116.55 115.22 1unb n ASP 220 Ca 0.00 -1.91 -0.11 0.00 -0.01 0.00 0.00 54.79 52.76 1unb n ASP 220 Cb 0.30 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 1unb n ASP 220 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1unb s ALA 221 N -1.13 -0.60 0.03 2.12 0.00 -0.95 -4.45 121.76 116.79 1unb s ALA 221 Ca 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1unb s ALA 221 Cb 0.17 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1unb s ALA 221 CO 0.23 -0.41 0.10 0.54 0.00 0.00 0.00 175.76 176.22 1unb s VAL 222 N -2.62 4.77 -0.11 0.00 0.11 -0.61 -4.57 120.40 117.37 1unb s VAL 222 Ca -0.04 -0.51 -0.18 0.00 -2.93 0.00 0.00 61.98 58.31 1unb s VAL 222 Cb -0.01 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1unb s VAL 222 CO -0.04 0.25 0.46 -0.22 -3.33 0.00 0.00 175.10 172.22 1unb s LEU 223 N -2.05 4.29 -0.20 2.54 2.96 -0.66 -0.34 118.68 125.22 1unb s LEU 223 Ca 0.27 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.93 1unb s LEU 223 Cb -0.12 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 1unb s LEU 223 CO 0.18 0.03 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.55 1unb s VAL 224 N 0.51 3.92 -0.14 1.68 1.01 0.50 -0.40 120.40 127.48 1unb s VAL 224 Ca 0.25 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1unb s VAL 224 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1unb s VAL 224 CO 0.10 0.43 0.03 -0.36 0.00 0.00 0.00 175.10 175.30 1unb s PHE 225 N 1.01 3.20 0.26 5.22 0.08 -0.08 -1.83 117.98 125.84 1unb s PHE 225 Ca 0.02 0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 1unb s PHE 225 Cb -0.14 -1.94 -0.09 0.00 -0.57 0.00 0.00 43.02 40.27 1unb s PHE 225 CO 0.02 0.27 1.00 0.00 -0.10 0.00 0.00 175.22 176.40 1unb s GLY 227 N -1.12 2.33 0.53 0.00 0.00 -0.63 -4.03 107.32 104.40 1unb s GLY 227 Ca 0.43 -1.43 0.28 0.00 0.00 0.00 0.00 44.72 43.99 1unb s GLY 227 CO 0.34 -1.90 2.11 0.00 0.00 0.00 0.00 173.10 173.65 1unb h ALA 228 N 0.84 1.34 -0.03 3.20 0.00 -0.74 -0.24 119.26 123.63 1unb h ALA 228 Ca -0.38 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1unb h ALA 228 Cb 1.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1unb h ALA 228 CO 0.58 0.12 -0.45 0.82 0.00 0.00 0.00 179.25 180.32 1unb h ILE 229 N 0.00 1.32 -0.49 0.00 1.08 -1.35 -0.80 117.51 117.28 1unb h ILE 229 Ca -0.00 -1.56 -0.12 0.00 -0.39 0.00 0.00 64.86 62.79 1unb h ILE 229 Cb 0.27 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 1unb h ILE 229 CO 0.01 0.45 -0.18 0.00 -0.69 0.00 0.00 178.15 177.75 1unb h ALA 230 N 1.50 0.68 -0.27 1.87 0.00 -1.10 0.12 119.26 122.05 1unb h ALA 230 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1unb h ALA 230 Cb 0.81 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1unb h ALA 230 CO 0.06 0.64 0.10 1.15 0.00 0.00 0.00 179.25 181.20 1unb h THR 231 N 0.84 0.93 0.48 0.00 2.02 -1.27 -2.36 112.91 113.55 1unb h THR 231 Ca 0.12 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1unb h THR 231 Cb 0.75 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1unb h THR 231 CO 0.06 0.04 -0.23 0.25 0.37 0.00 0.00 175.52 176.01 1unb h LEU 232 N 0.22 -0.55 -1.22 2.58 5.85 -0.83 0.19 115.31 121.55 1unb h LEU 232 Ca 0.12 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1unb h LEU 232 Cb 0.08 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1unb h LEU 232 CO -0.12 -0.33 -0.16 1.62 -0.34 0.00 0.00 178.44 179.11 1unb h VAL 233 N -0.73 1.21 -0.07 1.05 3.04 -0.75 -1.82 116.25 118.19 1unb h VAL 233 Ca -0.07 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 1unb h VAL 233 Cb 0.54 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1unb h VAL 233 CO 0.11 0.30 0.00 0.35 -1.01 0.00 0.00 177.57 177.32 1unb n THR 234 N -4.22 0.08 -1.92 3.17 -2.24 -0.89 -4.89 114.28 103.37 1unb n THR 234 Ca -0.00 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1unb n THR 234 Cb 0.31 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1unb n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1unb n GLY 235 N 1.12 0.28 1.00 3.38 0.00 -0.68 -3.52 105.19 106.77 1unb n GLY 235 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1unb n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1unb n GLY 236 N -1.27 0.70 0.24 -0.02 0.00 0.65 -4.89 105.19 100.60 1unb n GLY 236 Ca -0.09 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.62 1unb n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1unb n GLN 237 N -2.50 0.89 -4.39 1.61 6.02 -1.23 -4.78 117.38 112.99 1unb n GLN 237 Ca 0.00 -0.47 -0.23 0.00 -0.01 0.00 0.00 57.00 56.29 1unb n GLN 237 Cb 0.00 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.60 1unb n GLN 237 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1unb s VAL 238 N -2.44 0.89 0.20 5.09 1.01 -1.26 -3.13 120.40 120.76 1unb s VAL 238 Ca 0.27 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1unb s VAL 238 Cb 0.20 -0.85 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 1unb s VAL 238 CO 0.49 0.30 1.03 -0.75 0.00 0.00 0.00 175.10 176.18 1unb s LYS 239 N 0.80 4.69 -0.60 2.72 2.20 -0.32 -3.87 119.74 125.37 1unb s LYS 239 Ca -0.13 1.63 -0.11 0.00 -0.36 0.00 0.00 55.97 57.00 1unb s LYS 239 Cb -0.15 -3.28 0.15 0.00 -1.51 0.00 0.00 37.83 33.04 1unb s LYS 239 CO 0.02 0.25 0.50 0.00 -0.36 0.00 0.00 175.35 175.76 1unb s ALA 240 N -0.64 3.66 0.43 3.13 0.00 -1.26 -4.23 121.76 122.84 1unb s ALA 240 Ca 0.46 -2.82 -0.23 0.00 0.00 0.00 0.00 51.96 49.37 1unb s ALA 240 Cb -0.28 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1unb s ALA 240 CO 0.35 -2.05 1.04 -1.25 0.00 0.00 0.00 175.76 173.84 1unb s PRO 241 N 0.95 4.07 0.36 0.00 0.04 -1.26 -4.89 135.00 134.28 1unb s PRO 241 Ca 0.09 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 1unb s PRO 241 Cb -0.23 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 1unb s PRO 241 CO -0.02 -0.21 1.07 1.03 0.04 0.00 0.00 177.00 178.91 1unb s ARG 242 N -2.75 4.30 0.19 4.56 0.52 -1.26 -4.49 118.95 120.02 1unb s ARG 242 Ca 0.61 1.62 -0.14 0.00 -0.52 0.00 0.00 55.73 57.30 1unb s ARG 242 Cb -0.19 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.54 1unb s ARG 242 CO 0.24 -0.04 0.43 -3.38 0.02 0.00 0.00 175.30 172.56 1unb s HIS 243 N -1.49 0.12 0.24 -0.53 -3.43 -0.18 -1.19 115.29 108.83 1unb s HIS 243 Ca 0.54 -0.47 -0.18 0.00 -0.80 0.00 0.00 55.06 54.15 1unb s HIS 243 Cb -0.26 0.20 0.02 0.00 -1.43 0.00 0.00 32.58 31.11 1unb s HIS 243 CO 0.32 -0.85 0.59 -3.38 -2.00 0.00 0.00 174.74 169.43 1unb s HIS 244 N -3.92 -0.01 -0.25 0.38 -3.43 -0.24 -1.37 115.29 106.44 1unb s HIS 244 Ca 0.13 -0.38 0.02 0.00 -0.80 0.00 0.00 55.06 54.02 1unb s HIS 244 Cb 0.01 0.46 0.05 0.00 -1.43 0.00 0.00 32.58 31.67 1unb s HIS 244 CO -0.01 -1.07 -0.11 0.08 -2.00 0.00 0.00 174.74 171.63 1unb s VAL 245 N -3.93 2.29 0.73 -5.38 1.01 -0.73 -1.89 120.40 112.50 1unb s VAL 245 Ca 0.14 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 1unb s VAL 245 Cb -0.03 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1unb s VAL 245 CO 0.05 0.06 1.07 0.00 0.00 0.00 0.00 175.10 176.27 1unb s ALA 246 N 1.16 2.55 0.02 5.51 0.00 0.10 -2.43 121.76 128.66 1unb s ALA 246 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 51.96 51.97 1unb s ALA 246 Cb -0.19 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1unb s ALA 246 CO -0.06 -1.38 -0.19 0.00 0.00 0.00 0.00 175.76 174.13 1unb s ALA 247 N -3.07 2.54 1.28 0.00 0.00 -0.97 -4.68 121.76 116.86 1unb s ALA 247 Ca 0.59 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1unb s ALA 247 Cb -0.14 -0.74 0.31 0.00 0.00 0.00 0.00 23.12 22.54 1unb s ALA 247 CO 0.55 0.56 0.84 -0.35 0.00 0.00 0.00 175.76 177.36 1unb n PRO 248 N 1.79 -3.32 -0.06 0.00 -0.04 -1.26 -5.02 135.00 127.09 1unb n PRO 248 Ca -0.16 -0.96 -0.14 0.00 -0.04 0.00 0.00 63.50 62.19 1unb n PRO 248 Cb 0.52 -2.00 -0.13 0.00 -0.04 0.00 0.00 33.50 31.85 1unb n PRO 248 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1unb h ARG 249 N -3.01 0.01 0.00 0.54 -0.00 -2.01 -3.47 114.38 106.44 1unb h ARG 249 Ca -0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.43 1unb h ARG 249 Cb 1.31 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.29 1unb h ARG 249 CO 0.39 0.93 0.00 0.54 -0.00 0.00 0.00 179.97 181.82 1unb n ARG 250 N -4.63 0.00 0.14 0.08 1.74 -1.26 -4.83 116.66 107.90 1unb n ARG 250 Ca -0.10 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.17 1unb n ARG 250 Cb 0.45 0.00 0.78 0.00 -1.02 0.00 0.00 32.46 32.67 1unb n ARG 250 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1unb h ASP 251 N 0.51 0.00 -0.09 0.55 -0.00 -2.00 -2.72 116.42 112.67 1unb h ASP 251 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1unb h ASP 251 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1unb h ASP 251 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1unb n GLN 252 N -3.74 2.48 -0.43 4.15 6.02 -1.26 -4.69 117.38 119.91 1unb n GLN 252 Ca 0.05 -2.07 0.08 0.00 -0.01 0.00 0.00 57.00 55.05 1unb n GLN 252 Cb 0.49 -1.29 0.28 0.00 1.02 0.00 0.00 30.24 30.74 1unb n GLN 252 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1unb n ILE 253 N -0.60 1.22 -3.90 5.09 2.08 -1.02 -4.30 119.36 117.93 1unb n ILE 253 Ca 0.09 -0.89 -0.36 0.00 0.56 0.00 0.00 62.75 62.16 1unb n ILE 253 Cb 0.47 0.17 -0.11 0.00 -0.75 0.00 0.00 39.64 39.42 1unb n ILE 253 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1unb s ALA 254 N -1.58 3.28 -0.36 -1.39 0.00 -1.26 -4.49 121.76 115.96 1unb s ALA 254 Ca 0.41 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1unb s ALA 254 Cb 0.24 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1unb s ALA 254 CO 0.22 -0.16 0.08 0.41 0.00 0.00 0.00 175.76 176.31 1unb n GLY 255 N 4.24 0.32 0.55 0.00 0.00 -1.26 -4.59 105.19 104.45 1unb n GLY 255 Ca -0.16 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.35 1unb n GLY 255 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1unb n SER 256 N 0.94 1.99 -4.70 1.61 3.41 -1.26 -2.94 113.62 112.68 1unb n SER 256 Ca -0.04 -1.50 -0.31 0.00 -0.26 0.00 0.00 58.87 56.76 1unb n SER 256 Cb 0.53 0.24 0.15 0.00 -0.26 0.00 0.00 64.21 64.87 1unb n SER 256 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1unb s SER 257 N -2.32 3.33 0.10 4.04 1.04 -1.26 -4.69 113.70 113.94 1unb s SER 257 Ca 0.24 2.10 -0.26 0.00 0.48 0.00 0.00 55.95 58.51 1unb s SER 257 Cb 0.19 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.83 1unb s SER 257 CO 0.47 -2.83 0.81 0.00 0.98 0.00 0.00 173.24 172.68 1unb s ARG 258 N -4.71 1.12 0.12 4.02 1.70 -0.60 -4.35 118.95 116.24 1unb s ARG 258 Ca 0.65 -0.50 0.04 0.00 -0.47 0.00 0.00 55.73 55.46 1unb s ARG 258 Cb -0.21 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1unb s ARG 258 CO 0.57 -0.50 -0.11 0.95 -1.08 0.00 0.00 175.30 175.13 1unb s THR 259 N -3.40 1.11 -0.03 4.99 -4.23 -1.26 -0.60 115.64 112.23 1unb s THR 259 Ca 0.06 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1unb s THR 259 Cb -0.02 -1.56 0.01 0.00 1.34 0.00 0.00 72.50 72.27 1unb s THR 259 CO -0.06 -0.59 0.09 -0.94 -0.54 0.00 0.00 174.62 172.59 1unb s SER 260 N -2.69 -0.06 -0.30 3.99 1.04 -0.80 -1.81 113.70 113.07 1unb s SER 260 Ca 0.10 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 1unb s SER 260 Cb -0.02 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 1unb s SER 260 CO 0.01 -0.09 0.12 -0.44 0.98 0.00 0.00 173.24 173.82 1unb s SER 261 N -0.22 5.34 -0.23 7.02 0.01 0.10 -1.06 113.70 124.66 1unb s SER 261 Ca -0.03 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1unb s SER 261 Cb -0.02 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.30 1unb s SER 261 CO 0.00 -0.19 -0.11 -0.69 0.41 0.00 0.00 173.24 172.67 1unb s VAL 262 N 1.56 2.52 -0.32 3.43 1.01 0.55 -0.88 120.40 128.27 1unb s VAL 262 Ca 0.04 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 1unb s VAL 262 Cb -0.17 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1unb s VAL 262 CO 0.04 0.23 0.12 0.12 0.00 0.00 0.00 175.10 175.61 1unb s PHE 263 N 1.27 3.19 -0.32 5.22 2.19 0.40 -0.84 117.98 129.09 1unb s PHE 263 Ca -0.01 -1.01 -0.15 0.00 0.33 0.00 0.00 56.93 56.09 1unb s PHE 263 Cb -0.17 -2.31 -0.02 0.00 -1.31 0.00 0.00 43.02 39.22 1unb s PHE 263 CO -0.07 -0.60 0.38 -0.06 1.83 0.00 0.00 175.22 176.70 1unb s PHE 264 N 1.50 3.22 -0.54 10.12 0.40 0.18 -0.74 117.98 132.12 1unb s PHE 264 Ca 0.02 0.15 -0.21 0.00 -0.60 0.00 0.00 56.93 56.29 1unb s PHE 264 Cb -0.18 -2.67 0.06 0.00 0.51 0.00 0.00 43.02 40.74 1unb s PHE 264 CO 0.04 -0.38 0.76 -1.17 0.70 0.00 0.00 175.22 175.17 1unb s LEU 265 N 2.09 4.69 -0.09 -0.37 2.96 -0.40 -1.36 118.68 126.20 1unb s LEU 265 Ca 0.14 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1unb s LEU 265 Cb -0.16 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 1unb s LEU 265 CO 0.11 -1.06 -0.11 -0.13 -1.32 0.00 0.00 176.35 173.84 1unb s ARG 266 N 3.15 2.91 0.76 1.98 0.52 -1.26 -1.14 118.95 125.87 1unb s ARG 266 Ca 0.20 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 1unb s ARG 266 Cb -0.17 -2.54 0.06 0.00 0.52 0.00 0.00 34.95 32.81 1unb s ARG 266 CO 0.13 0.48 1.13 -1.25 0.02 0.00 0.00 175.30 175.82 1unb s PRO 267 N -0.35 2.11 0.67 3.54 0.04 -1.26 -1.32 135.00 138.42 1unb s PRO 267 Ca 0.04 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 1unb s PRO 267 Cb -0.12 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1unb s PRO 267 CO 0.02 -1.80 1.23 0.09 0.04 0.00 0.00 177.00 176.59 1unb n ASN 268 N -3.21 1.73 -0.20 6.66 3.02 -1.26 -4.48 115.26 117.51 1unb n ASN 268 Ca 0.11 0.79 0.20 0.00 -0.03 0.00 0.00 54.58 55.65 1unb n ASN 268 Cb 0.52 -1.53 0.56 0.00 -0.61 0.00 0.00 39.78 38.72 1unb n ASN 268 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1unb h ALA 269 N 0.31 2.32 -0.24 5.41 0.00 -1.96 -2.00 119.26 123.10 1unb h ALA 269 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1unb h ALA 269 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1unb h ALA 269 CO 0.52 -0.58 0.00 -0.40 0.00 0.00 0.00 179.25 178.78 1unb n ASP 270 N -4.46 1.73 -4.68 0.00 5.75 -1.26 -1.64 116.55 112.00 1unb n ASP 270 Ca 0.18 -1.83 -0.46 0.00 -0.01 0.00 0.00 54.79 52.67 1unb n ASP 270 Cb 0.71 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 1unb n ASP 270 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1unb n PHE 271 N 0.39 2.34 -5.11 2.11 7.35 -0.75 -4.75 117.46 119.04 1unb n PHE 271 Ca 0.14 0.12 -0.32 0.00 -0.76 0.00 0.00 57.45 56.63 1unb n PHE 271 Cb 0.31 -2.61 -0.15 0.00 0.35 0.00 0.00 39.48 37.38 1unb n PHE 271 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1unb s THR 272 N 2.21 2.47 0.14 -2.13 2.01 -1.26 -0.11 115.64 118.97 1unb s THR 272 Ca 0.84 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1unb s THR 272 Cb -0.66 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1unb s THR 272 CO 0.42 0.57 0.12 0.72 -0.69 0.00 0.00 174.62 175.77 1unb s PHE 273 N -0.40 0.71 -0.11 4.92 -0.71 -0.31 -4.45 117.98 117.63 1unb s PHE 273 Ca 0.04 -1.09 -0.30 0.00 -1.04 0.00 0.00 56.93 54.55 1unb s PHE 273 Cb -0.12 -0.35 -0.02 0.00 -1.21 0.00 0.00 43.02 41.32 1unb s PHE 273 CO 0.02 -0.58 1.21 0.45 -1.34 0.00 0.00 175.22 174.98 1unb s SER 274 N -3.02 7.02 0.04 1.98 0.15 -1.26 -1.20 113.70 117.41 1unb s SER 274 Ca 0.22 1.73 -0.26 0.00 0.70 0.00 0.00 55.95 58.33 1unb s SER 274 Cb 0.06 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.65 1unb s SER 274 CO 0.01 -0.65 1.47 0.58 1.20 0.00 0.00 173.24 175.85 1unb h VAL 275 N 5.22 0.79 -0.97 4.45 2.07 -1.55 -1.94 116.25 124.34 1unb h VAL 275 Ca -0.30 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 66.95 1unb h VAL 275 Cb 1.13 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 1unb h VAL 275 CO 0.92 0.08 0.62 1.55 0.02 0.00 0.00 177.57 180.76 1unb h PRO 276 N -0.54 0.99 -0.91 1.57 0.13 -1.86 -1.85 132.00 129.54 1unb h PRO 276 Ca -0.04 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1unb h PRO 276 Cb 0.40 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.26 1unb h PRO 276 CO 0.06 0.65 0.51 1.25 -0.23 0.00 0.00 178.00 180.24 1unb h LEU 277 N 1.02 1.12 -0.46 1.56 5.85 -1.90 -2.04 115.31 120.46 1unb h LEU 277 Ca 0.45 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.10 1unb h LEU 277 Cb 0.35 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1unb h LEU 277 CO -0.20 0.89 0.26 0.00 -0.34 0.00 0.00 178.44 179.05 1unb h ALA 278 N 1.29 0.58 -0.58 1.25 0.00 -0.57 -1.88 119.26 119.35 1unb h ALA 278 Ca 0.32 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1unb h ALA 278 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1unb h ALA 278 CO -0.05 -0.06 0.36 0.00 0.00 0.00 0.00 179.25 179.50 1unb h ARG 279 N 0.53 0.69 0.00 0.00 3.08 -0.99 -1.92 114.38 115.77 1unb h ARG 279 Ca 0.18 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1unb h ARG 279 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1unb h ARG 279 CO -0.09 0.46 -0.03 0.93 -1.07 0.00 0.00 179.97 180.17 1unb h GLU 280 N 0.71 0.00 -0.36 0.04 5.08 -0.64 -2.38 114.58 117.04 1unb h GLU 280 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1unb h GLU 280 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1unb h GLU 280 CO -0.09 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1unb n GLY 282 N 0.06 0.80 3.66 0.00 0.00 -0.89 -4.97 105.19 103.85 1unb n GLY 282 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1unb n GLY 282 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1unb s PHE 283 N -2.00 3.38 -1.43 1.61 0.08 -0.78 -4.92 117.98 113.92 1unb s PHE 283 Ca 0.00 1.40 -0.09 0.00 0.12 0.00 0.00 56.93 58.37 1unb s PHE 283 Cb 0.00 -3.18 0.05 0.00 -0.57 0.00 0.00 43.02 39.33 1unb s PHE 283 CO 0.00 -0.38 2.47 -3.47 -0.10 0.00 0.00 175.22 173.74 1unb n ASP 284 N 5.84 7.30 -4.78 1.36 2.03 -1.26 -4.14 116.55 122.90 1unb n ASP 284 Ca 0.09 -2.92 -0.37 0.00 0.52 0.00 0.00 54.79 52.11 1unb n ASP 284 Cb 0.47 -1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 1unb n ASP 284 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1unb s VAL 285 N 0.65 3.84 -0.71 5.18 -7.23 -1.26 -4.99 120.40 115.89 1unb s VAL 285 Ca 0.56 1.44 0.05 0.00 -1.81 0.00 0.00 61.98 62.22 1unb s VAL 285 Cb 0.16 -3.76 0.26 0.00 0.56 0.00 0.00 36.38 33.60 1unb s VAL 285 CO -0.07 0.04 0.85 -1.54 -0.31 0.00 0.00 175.10 174.07 1unb n SER 286 N 0.10 4.14 -4.00 4.85 3.41 -1.26 -5.05 113.62 115.81 1unb n SER 286 Ca 0.04 -3.44 -0.26 0.00 -0.26 0.00 0.00 58.87 54.95 1unb n SER 286 Cb 0.50 -0.76 -0.17 0.00 -0.26 0.00 0.00 64.21 63.52 1unb n SER 286 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1unb s LEU 287 N -2.51 1.56 0.44 1.04 1.43 -1.26 -5.10 118.68 114.28 1unb s LEU 287 Ca 0.38 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1unb s LEU 287 Cb 0.13 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 45.35 1unb s LEU 287 CO 0.00 -0.01 0.88 -0.62 0.23 0.00 0.00 176.35 176.83 1unb s ASP 288 N 1.04 6.68 0.32 2.29 2.15 -1.26 -4.91 116.67 122.98 1unb s ASP 288 Ca -0.07 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.33 1unb s ASP 288 Cb -0.15 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1unb s ASP 288 CO -0.01 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 1unb n GLY 289 N -1.13 -1.82 0.06 2.66 0.00 -1.26 -4.77 105.19 98.93 1unb n GLY 289 Ca 0.05 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.82 1unb n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1unb n GLU 290 N -1.77 0.65 -4.30 1.61 -0.58 -1.26 -4.71 120.64 110.29 1unb n GLU 290 Ca 0.00 -0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.54 1unb n GLU 290 Cb 0.16 -1.61 -0.10 0.00 -0.57 0.00 0.00 31.44 29.32 1unb n GLU 290 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1unb s THR 291 N -3.12 1.49 0.22 2.62 -4.23 -1.26 -1.51 115.64 109.84 1unb s THR 291 Ca -0.07 -2.13 -0.13 0.00 -1.18 0.00 0.00 61.69 58.18 1unb s THR 291 Cb 0.10 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1unb s THR 291 CO 0.86 -0.65 0.45 0.00 -0.54 0.00 0.00 174.62 174.74 1unb s ALA 292 N -3.08 -0.38 0.31 3.99 0.00 -0.34 -4.81 121.76 117.44 1unb s ALA 292 Ca 0.19 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1unb s ALA 292 Cb 0.00 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 1unb s ALA 292 CO 0.04 -0.80 0.26 0.95 0.00 0.00 0.00 175.76 176.21 1unb s THR 293 N -3.97 3.80 0.22 0.00 -4.23 -1.26 -1.16 115.64 109.04 1unb s THR 293 Ca 0.18 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1unb s THR 293 Cb 0.00 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.77 1unb s THR 293 CO 0.04 -0.23 1.79 0.15 -0.54 0.00 0.00 174.62 175.82 1unb h PHE 294 N 1.34 0.65 -0.72 3.99 3.57 -0.37 -1.06 116.94 124.32 1unb h PHE 294 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1unb h PHE 294 Cb 1.25 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1unb h PHE 294 CO 0.54 0.25 0.47 0.37 -2.23 0.00 0.00 178.31 177.72 1unb h GLN 295 N 0.62 0.96 -0.93 1.11 4.15 -1.54 0.53 115.11 120.02 1unb h GLN 295 Ca 0.34 -0.06 0.12 0.00 0.77 0.00 0.00 58.65 59.82 1unb h GLN 295 Cb 0.32 -0.21 -0.09 0.00 0.21 0.00 0.00 27.48 27.71 1unb h GLN 295 CO -0.25 0.65 0.55 -0.44 -1.93 0.00 0.00 178.83 177.41 1unb h ASP 296 N 0.98 0.78 0.01 -0.69 3.32 -1.50 0.45 116.42 119.77 1unb h ASP 296 Ca 0.26 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1unb h ASP 296 Cb -0.10 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1unb h ASP 296 CO -0.06 0.40 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.60 1unb h TRP 297 N 0.85 -0.01 0.00 4.55 7.01 -0.71 -3.38 115.95 124.26 1unb h TRP 297 Ca 0.47 -0.00 -0.23 0.00 2.11 0.00 0.00 58.89 61.24 1unb h TRP 297 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 1unb h TRP 297 CO -0.03 0.72 -1.55 -0.89 -2.79 0.00 0.00 178.44 173.90 1unb n ILE 298 N -4.68 1.40 -0.04 2.65 2.08 0.12 -5.06 119.36 115.83 1unb n ILE 298 Ca -0.08 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.49 1unb n ILE 298 Cb 0.36 -0.89 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 1unb n ILE 298 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1unb n GLY 299 N 1.47 -1.81 0.63 7.39 0.00 0.15 -4.73 105.19 108.28 1unb n GLY 299 Ca -0.13 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.00 1unb n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1unb n GLY 300 N 0.00 0.33 3.27 -0.02 0.00 -1.26 -4.54 105.19 102.98 1unb n GLY 300 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1unb n GLY 300 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1unb s ASN 301 N -1.95 2.87 0.31 1.61 2.47 -1.26 -5.12 114.94 113.86 1unb s ASN 301 Ca 0.35 -0.45 -0.28 0.00 0.42 0.00 0.00 52.86 52.90 1unb s ASN 301 Cb 0.21 -0.42 -0.13 0.00 -1.45 0.00 0.00 41.25 39.46 1unb s ASN 301 CO 0.32 0.29 1.21 -1.22 -3.72 0.00 0.00 177.10 173.97 1unb n TYR 302 N 2.59 1.91 -4.03 0.43 4.01 -1.26 -4.99 117.16 115.81 1unb n TYR 302 Ca -0.16 0.59 -0.31 0.00 -0.16 0.00 0.00 57.90 57.86 1unb n TYR 302 Cb 0.52 -2.36 -0.16 0.00 -0.31 0.00 0.00 39.34 37.03 1unb n TYR 302 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1unb s VAL 303 N -0.96 1.86 -0.24 -0.72 1.01 -1.26 -5.04 120.40 115.05 1unb s VAL 303 Ca 0.58 -1.21 0.21 0.00 0.00 0.00 0.00 61.98 61.57 1unb s VAL 303 Cb -0.63 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1unb s VAL 303 CO 0.60 0.15 1.11 0.78 0.00 0.00 0.00 175.10 177.74 1unb h ASN 304 N 7.90 0.00 -5.17 3.32 -0.26 -1.94 -3.43 115.58 116.00 1unb h ASN 304 Ca -0.27 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.38 1unb h ASN 304 Cb 1.08 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.21 1unb h ASN 304 CO 0.49 0.12 -0.36 0.27 -1.06 0.00 0.00 177.43 176.90 1unb s ILE 305 N -3.25 0.13 -0.11 2.81 -4.36 -1.26 -1.02 121.20 114.14 1unb s ILE 305 Ca 0.00 -1.20 -0.09 0.00 -0.26 0.00 0.00 60.65 59.10 1unb s ILE 305 Cb 0.09 -1.42 0.03 0.00 1.25 0.00 0.00 42.46 42.41 1unb s ILE 305 CO 0.77 -0.59 0.28 -0.60 0.24 0.00 0.00 174.94 175.05 1unb s ARG 306 N -3.88 0.30 0.21 0.37 3.52 -0.20 -4.88 118.95 114.40 1unb s ARG 306 Ca 0.07 0.44 -0.10 0.00 -0.13 0.00 0.00 55.73 56.01 1unb s ARG 306 Cb 0.05 0.09 -0.07 0.00 -1.56 0.00 0.00 34.95 33.45 1unb s ARG 306 CO -0.09 -0.07 0.54 -0.98 -0.81 0.00 0.00 175.30 173.89 1unb s ARG 307 N 0.45 3.83 0.36 5.12 3.03 -1.26 -1.13 118.95 129.35 1unb s ARG 307 Ca -0.02 0.30 0.07 0.00 2.03 0.00 0.00 55.73 58.11 1unb s ARG 307 Cb -0.04 -2.71 0.67 0.00 -1.03 0.00 0.00 34.95 31.85 1unb s ARG 307 CO -0.02 0.35 1.88 1.15 -1.13 0.00 0.00 175.30 177.53 1unb h THR 308 N 2.16 1.19 0.00 4.99 2.02 -1.97 -3.38 112.91 117.92 1unb h THR 308 Ca -0.47 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1unb h THR 308 Cb 1.17 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1unb h THR 308 CO 0.69 0.27 0.00 -1.20 0.37 0.00 0.00 175.52 175.64 1unb n SER 309 N -4.27 0.00 0.00 4.18 7.64 -1.26 -5.22 113.62 114.69 1unb n SER 309 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1unb n SER 309 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1unb n SER 309 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20