#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uof s ASP 2 N 0.00 4.27 -0.21 6.12 -4.77 -1.26 -5.03 116.67 115.80 1uof s ASP 2 Ca 0.00 -0.03 0.15 0.00 -3.30 0.00 0.00 52.55 49.38 1uof s ASP 2 Cb 0.00 -0.38 0.68 0.00 -1.09 0.00 0.00 42.92 42.13 1uof s ASP 2 CO 0.00 -1.93 1.59 0.35 0.70 0.00 0.00 175.17 175.88 1uof n THR 3 N -3.01 2.52 -3.02 2.11 -2.24 -1.26 -4.93 114.28 104.45 1uof n THR 3 Ca 0.13 -1.63 -0.40 0.00 -2.27 0.00 0.00 64.05 59.88 1uof n THR 3 Cb 0.60 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1uof n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1uof s THR 4 N -2.78 4.85 -0.24 4.28 2.01 -1.26 -4.96 115.64 117.54 1uof s THR 4 Ca 0.49 1.54 -0.27 0.00 0.31 0.00 0.00 61.69 63.76 1uof s THR 4 Cb 0.38 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1uof s THR 4 CO 0.13 0.33 0.94 -0.69 -0.69 0.00 0.00 174.62 174.64 1uof s VAL 5 N 0.20 4.74 0.76 3.82 1.01 -1.26 -5.02 120.40 124.65 1uof s VAL 5 Ca 0.38 1.79 -0.12 0.00 0.00 0.00 0.00 61.98 64.03 1uof s VAL 5 Cb -0.19 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1uof s VAL 5 CO 0.21 -0.15 1.12 -2.16 0.00 0.00 0.00 175.10 174.11 1uof s PRO 6 N 3.06 2.43 -0.03 2.72 0.04 -1.26 -4.85 135.00 137.12 1uof s PRO 6 Ca 0.40 0.42 0.06 0.00 0.04 0.00 0.00 61.00 61.92 1uof s PRO 6 Cb -0.15 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1uof s PRO 6 CO 0.07 -1.33 -0.21 0.99 0.04 0.00 0.00 177.00 176.56 1uof s THR 7 N -3.36 1.69 -0.00 1.26 2.01 -1.26 -1.13 115.64 114.85 1uof s THR 7 Ca 0.60 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1uof s THR 7 Cb -0.12 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1uof s THR 7 CO 0.52 0.48 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.43 1uof s PHE 8 N -0.34 1.20 -0.10 4.92 0.40 -0.09 -4.95 117.98 119.02 1uof s PHE 8 Ca 0.04 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 1uof s PHE 8 Cb -0.10 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 1uof s PHE 8 CO 0.00 -0.01 0.96 0.45 0.70 0.00 0.00 175.22 177.32 1uof s SER 9 N -0.46 7.20 0.21 1.36 0.15 -1.26 -1.17 113.70 119.73 1uof s SER 9 Ca 0.05 1.47 -0.10 0.00 0.70 0.00 0.00 55.95 58.07 1uof s SER 9 Cb -0.06 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 61.88 1uof s SER 9 CO -0.00 -0.40 1.86 0.25 1.20 0.00 0.00 173.24 176.15 1uof h LEU 10 N 7.86 0.93 -0.64 3.45 5.85 -1.00 -1.36 115.31 130.39 1uof h LEU 10 Ca -0.32 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1uof h LEU 10 Cb 1.16 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1uof h LEU 10 CO 0.83 0.71 0.36 0.00 -0.34 0.00 0.00 178.44 180.01 1uof h ALA 11 N 1.25 0.82 -0.81 1.25 0.00 -1.76 0.80 119.26 120.80 1uof h ALA 11 Ca 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1uof h ALA 11 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1uof h ALA 11 CO -0.05 0.32 0.42 0.93 0.00 0.00 0.00 179.25 180.86 1uof h GLU 12 N 0.87 1.15 -0.32 0.00 5.08 -1.82 -1.55 114.58 117.99 1uof h GLU 12 Ca 0.23 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1uof h GLU 12 Cb 0.02 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1uof h GLU 12 CO -0.04 0.86 0.16 -0.07 -1.00 0.00 0.00 179.01 178.92 1uof h LEU 13 N 1.15 0.41 -1.78 1.33 3.38 -0.62 -2.10 115.31 117.08 1uof h LEU 13 Ca 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1uof h LEU 13 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1uof h LEU 13 CO -0.04 0.41 -0.02 1.56 0.09 0.00 0.00 178.44 180.43 1uof h GLN 14 N 0.38 0.11 0.00 1.13 4.20 -0.59 -0.17 115.11 120.16 1uof h GLN 14 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1uof h GLN 14 Cb 0.10 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1uof h GLN 14 CO -0.02 0.14 0.00 1.04 -0.67 0.00 0.00 178.83 179.33 1uof n GLN 15 N -4.44 0.95 -0.78 1.46 6.02 -0.61 -4.92 117.38 115.07 1uof n GLN 15 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1uof n GLN 15 Cb 0.15 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1uof n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uof n GLY 16 N 0.76 0.59 3.89 1.08 0.00 -0.08 -5.05 105.19 106.38 1uof n GLY 16 Ca 0.15 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1uof n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uof s LEU 17 N 0.00 3.79 -1.39 0.99 1.43 -0.83 -4.29 118.68 118.39 1uof s LEU 17 Ca 0.00 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1uof s LEU 17 Cb 0.00 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.33 1uof s LEU 17 CO 0.00 -0.43 0.15 1.41 0.23 0.00 0.00 176.35 177.71 1uof n HIS 18 N -1.58 -1.42 -0.20 0.29 8.25 -1.26 -4.38 115.22 114.93 1uof n HIS 18 Ca 0.01 0.13 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1uof n HIS 18 Cb 0.54 -3.43 0.11 0.00 1.12 0.00 0.00 29.99 28.33 1uof n HIS 18 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1uof h GLN 19 N -0.33 0.15 -0.27 -0.41 4.20 -1.96 0.14 115.11 116.63 1uof h GLN 19 Ca -0.41 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.16 1uof h GLN 19 Cb 1.30 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 1uof h GLN 19 CO 0.48 0.10 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.97 1uof h ASP 20 N 0.16 0.76 -0.35 1.46 3.32 -1.96 -1.49 116.42 118.32 1uof h ASP 20 Ca 0.33 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1uof h ASP 20 Cb 0.52 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1uof h ASP 20 CO -0.50 1.10 0.07 -0.33 -1.72 0.00 0.00 179.24 177.86 1uof h GLU 21 N 0.44 0.57 0.15 3.56 3.07 -1.90 -1.25 114.58 119.23 1uof h GLU 21 Ca 0.04 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1uof h GLU 21 Cb 0.90 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1uof h GLU 21 CO 0.08 0.64 -0.07 0.35 -1.40 0.00 0.00 179.01 178.60 1uof h PHE 22 N 0.42 -0.19 -0.44 4.33 3.57 -0.66 -1.15 116.94 122.82 1uof h PHE 22 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1uof h PHE 22 Cb 0.33 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1uof h PHE 22 CO 0.02 -0.06 0.22 -0.09 -2.23 0.00 0.00 178.31 176.17 1uof h ARG 23 N -0.26 0.42 -0.38 1.11 2.43 -1.18 -0.52 114.38 115.99 1uof h ARG 23 Ca -0.02 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1uof h ARG 23 Cb 0.21 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1uof h ARG 23 CO 0.03 0.28 -0.22 0.00 -1.51 0.00 0.00 179.97 178.56 1uof h ARG 24 N 0.44 0.75 -0.41 0.20 3.08 -1.21 -1.99 114.38 115.24 1uof h ARG 24 Ca 0.19 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 60.01 1uof h ARG 24 Cb 0.11 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1uof h ARG 24 CO -0.14 0.90 0.05 0.00 -1.07 0.00 0.00 179.97 179.71 1uof h LEU 26 N 0.17 0.87 -0.15 0.00 3.38 -0.83 0.13 115.31 118.87 1uof h LEU 26 Ca 0.20 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1uof h LEU 26 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1uof h LEU 26 CO -0.29 0.78 -0.38 -0.09 0.09 0.00 0.00 178.44 178.54 1uof h ARG 27 N 0.91 0.53 0.00 1.13 2.43 -1.18 -0.17 114.38 118.02 1uof h ARG 27 Ca 0.22 -0.36 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1uof h ARG 27 Cb 0.15 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1uof h ARG 27 CO -0.02 0.98 -1.81 -0.25 -1.51 0.00 0.00 179.97 177.36 1uof n ASP 28 N -4.30 0.27 0.00 -3.80 8.00 0.16 -4.04 116.55 112.84 1uof n ASP 28 Ca -0.07 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1uof n ASP 28 Cb 0.53 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.93 1uof n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1uof n LYS 29 N -2.50 0.00 -1.26 -1.24 5.02 0.18 -4.80 118.16 113.56 1uof n LYS 29 Ca -0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 1uof n LYS 29 Cb 0.70 -0.49 -0.04 0.00 -0.02 0.00 0.00 35.03 35.18 1uof n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uof n GLY 30 N 2.77 1.06 3.24 0.72 0.00 0.22 -4.39 105.19 108.80 1uof n GLY 30 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1uof n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uof s LEU 31 N -2.05 1.06 -0.15 0.99 2.34 -1.26 -1.01 118.68 118.60 1uof s LEU 31 Ca 0.00 -0.50 -0.32 0.00 0.06 0.00 0.00 54.13 53.37 1uof s LEU 31 Cb 0.00 1.31 0.13 0.00 -0.56 0.00 0.00 46.19 47.07 1uof s LEU 31 CO 0.00 -0.75 1.10 0.72 -1.06 0.00 0.00 176.35 176.36 1uof s PHE 32 N -3.70 -0.23 0.26 3.48 -0.71 -0.85 -4.55 117.98 111.68 1uof s PHE 32 Ca 0.03 0.24 -0.15 0.00 -1.04 0.00 0.00 56.93 56.01 1uof s PHE 32 Cb 0.03 0.50 -0.08 0.00 -1.21 0.00 0.00 43.02 42.26 1uof s PHE 32 CO -0.11 -0.30 0.68 0.71 -1.34 0.00 0.00 175.22 174.87 1uof s TYR 33 N -2.10 3.49 -0.13 3.49 2.02 -0.28 -0.75 117.35 123.09 1uof s TYR 33 Ca 0.06 1.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 1uof s TYR 33 Cb -0.01 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1uof s TYR 33 CO -0.05 0.24 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.88 1uof s LEU 34 N -2.53 1.52 0.44 -1.29 2.96 0.80 -0.91 118.68 119.67 1uof s LEU 34 Ca 0.48 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1uof s LEU 34 Cb -0.13 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.52 1uof s LEU 34 CO 0.19 -0.07 0.57 0.42 -1.32 0.00 0.00 176.35 176.14 1uof s THR 35 N 1.52 2.84 -1.25 3.68 -4.23 -0.31 -1.75 115.64 116.13 1uof s THR 35 Ca 0.04 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1uof s THR 35 Cb -0.13 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.83 1uof s THR 35 CO -0.09 0.00 1.08 0.47 -0.54 0.00 0.00 174.62 175.53 1uof n ASP 36 N -1.86 -4.35 -0.16 3.99 8.00 -1.26 -0.65 116.55 120.26 1uof n ASP 36 Ca 0.08 -0.56 0.02 0.00 0.71 0.00 0.00 54.79 55.05 1uof n ASP 36 Cb 0.60 -4.97 0.03 0.00 -0.02 0.00 0.00 41.12 36.76 1uof n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uof n GLY 38 N -0.46 0.76 2.72 0.00 0.00 -1.26 -4.56 105.19 102.38 1uof n GLY 38 Ca 0.04 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1uof n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uof n LEU 39 N -0.63 4.81 -4.77 0.99 4.77 -1.26 -4.94 117.00 115.97 1uof n LEU 39 Ca -0.05 -5.51 -0.39 0.00 -0.03 0.00 0.00 56.01 50.02 1uof n LEU 39 Cb 0.20 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1uof n LEU 39 CO 0.08 2.13 0.86 0.42 -1.33 0.00 0.00 177.39 179.56 1uof s THR 40 N -3.53 3.12 0.48 -5.08 -4.23 -1.26 -4.70 115.64 100.44 1uof s THR 40 Ca 0.42 1.03 0.30 0.00 -1.18 0.00 0.00 61.69 62.26 1uof s THR 40 Cb 0.19 -3.62 0.49 0.00 1.34 0.00 0.00 72.50 70.91 1uof s THR 40 CO -0.06 0.17 1.76 0.44 -0.54 0.00 0.00 174.62 176.39 1uof h ASP 41 N 3.10 0.20 -0.72 3.99 3.32 -1.92 -2.16 116.42 122.22 1uof h ASP 41 Ca -0.48 0.05 0.15 0.00 0.02 0.00 0.00 57.03 56.77 1uof h ASP 41 Cb 1.23 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 1uof h ASP 41 CO 0.64 0.01 -0.11 0.00 -1.72 0.00 0.00 179.24 178.07 1uof h THR 42 N 0.16 0.32 -0.04 0.35 1.03 -1.96 -2.72 112.91 110.05 1uof h THR 42 Ca 0.62 -0.01 -0.13 0.00 -0.01 0.00 0.00 66.41 66.88 1uof h THR 42 Cb 2.07 0.28 0.01 0.00 -1.07 0.00 0.00 68.15 69.44 1uof h THR 42 CO -0.16 0.01 -0.49 -0.08 -0.01 0.00 0.00 175.52 174.78 1uof h GLU 43 N 0.04 0.40 -0.87 0.00 4.22 -1.77 -0.78 114.58 115.82 1uof h GLU 43 Ca 0.36 -0.38 0.25 0.00 0.08 0.00 0.00 59.36 59.67 1uof h GLU 43 Cb 0.59 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1uof h GLU 43 CO -0.70 1.04 0.62 1.25 -2.18 0.00 0.00 179.01 179.04 1uof h LEU 44 N -0.10 0.04 0.02 1.64 5.85 -1.58 -1.99 115.31 119.20 1uof h LEU 44 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1uof h LEU 44 Cb 1.18 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1uof h LEU 44 CO 0.10 0.01 -0.01 0.50 -0.34 0.00 0.00 178.44 178.70 1uof h LYS 45 N 0.04 -0.03 -0.10 1.25 3.64 -0.82 0.70 116.57 121.25 1uof h LYS 45 Ca 0.42 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.84 1uof h LYS 45 Cb 1.60 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.38 1uof h LYS 45 CO -0.02 0.38 -0.15 1.03 -2.27 0.00 0.00 179.45 178.41 1uof h SER 46 N -0.45 -0.47 -0.24 4.20 0.87 -1.04 0.42 113.55 116.85 1uof h SER 46 Ca -0.00 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1uof h SER 46 Cb 0.42 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1uof h SER 46 CO 0.01 -0.20 0.06 0.00 -0.53 0.00 0.00 176.83 176.17 1uof h ALA 47 N 0.82 0.31 0.18 6.23 0.00 -1.46 -2.53 119.26 122.81 1uof h ALA 47 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1uof h ALA 47 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uof h ALA 47 CO -0.22 -0.04 -0.10 -0.22 0.00 0.00 0.00 179.25 178.67 1uof h LYS 48 N 0.21 -0.26 -0.23 0.00 3.64 -0.52 -2.19 116.57 117.23 1uof h LYS 48 Ca 0.08 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1uof h LYS 48 Cb 0.26 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1uof h LYS 48 CO -0.00 -0.17 -0.14 -0.44 -2.27 0.00 0.00 179.45 176.43 1uof h ASP 49 N -0.27 -0.46 0.65 4.20 3.32 -0.16 0.10 116.42 123.80 1uof h ASP 49 Ca -0.02 0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1uof h ASP 49 Cb 0.21 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1uof h ASP 49 CO 0.03 -0.18 -0.73 0.25 -1.72 0.00 0.00 179.24 176.89 1uof h LEU 50 N -0.13 0.07 -0.98 1.55 5.85 -1.39 -1.88 115.31 118.40 1uof h LEU 50 Ca 0.13 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1uof h LEU 50 Cb 0.32 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1uof h LEU 50 CO -0.31 0.77 -0.07 1.62 -0.34 0.00 0.00 178.44 180.12 1uof h VAL 51 N 0.04 1.24 -0.05 1.05 3.04 -1.30 -1.82 116.25 118.45 1uof h VAL 51 Ca -0.01 -1.03 -0.15 0.00 -1.01 0.00 0.00 66.70 64.50 1uof h VAL 51 Cb 1.29 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 1uof h VAL 51 CO 0.10 0.35 -0.64 0.40 -1.01 0.00 0.00 177.57 176.77 1uof h ILE 52 N 0.61 1.41 0.00 3.17 2.04 -0.67 0.20 117.51 124.27 1uof h ILE 52 Ca 0.11 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 1uof h ILE 52 Cb 0.49 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1uof h ILE 52 CO 0.03 0.61 -0.06 -0.78 0.00 0.00 0.00 178.15 177.95 1uof h ASP 53 N 0.15 0.00 0.14 1.72 -0.00 -1.26 -1.81 116.42 115.36 1uof h ASP 53 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.80 1uof h ASP 53 Cb 1.16 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.51 1uof h ASP 53 CO 0.10 0.06 -0.95 0.15 -0.00 0.00 0.00 179.24 178.60 1uof h PHE 54 N 0.00 0.69 -0.48 0.28 3.57 -0.70 -3.13 116.94 117.17 1uof h PHE 54 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1uof h PHE 54 Cb 0.73 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1uof h PHE 54 CO 0.00 1.35 0.27 0.74 -2.23 0.00 0.00 178.31 178.45 1uof h PHE 55 N -0.17 0.64 0.06 0.41 0.04 -0.83 0.31 116.94 117.40 1uof h PHE 55 Ca -0.16 -0.01 -0.27 0.00 2.80 0.00 0.00 57.97 60.34 1uof h PHE 55 Cb 1.72 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.65 1uof h PHE 55 CO 0.17 0.46 -1.35 0.93 -0.60 0.00 0.00 178.31 177.92 1uof h GLU 56 N 0.63 0.13 -0.04 1.51 4.39 -1.53 -3.40 114.58 116.27 1uof h GLU 56 Ca 0.17 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1uof h GLU 56 Cb 0.02 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1uof h GLU 56 CO -0.03 0.99 0.00 0.72 -1.16 0.00 0.00 179.01 179.53 1uof n HIS 57 N -3.36 0.05 -2.90 4.33 8.25 -1.18 -4.99 115.22 115.41 1uof n HIS 57 Ca -0.10 -0.39 -0.40 0.00 -0.26 0.00 0.00 57.72 56.57 1uof n HIS 57 Cb 1.01 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 32.02 1uof n HIS 57 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uof s GLY 58 N -0.82 2.99 1.01 -1.41 0.00 0.11 -4.94 107.32 104.26 1uof s GLY 58 Ca 0.03 0.45 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 1uof s GLY 58 CO 0.02 0.99 1.10 -1.35 0.00 0.00 0.00 173.10 173.86 1uof s SER 59 N -1.11 2.51 0.24 1.64 1.04 -1.26 -4.81 113.70 111.94 1uof s SER 59 Ca 0.38 1.08 -0.05 0.00 0.48 0.00 0.00 55.95 57.84 1uof s SER 59 Cb -0.24 -1.69 0.26 0.00 0.10 0.00 0.00 66.02 64.44 1uof s SER 59 CO 0.28 -3.19 1.80 -0.08 0.98 0.00 0.00 173.24 173.03 1uof h GLU 60 N -1.94 1.05 -0.17 4.02 4.81 -1.99 -0.51 114.58 119.86 1uof h GLU 60 Ca -0.54 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.37 1uof h GLU 60 Cb 1.33 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1uof h GLU 60 CO 0.56 0.88 -0.41 0.00 -0.73 0.00 0.00 179.01 179.31 1uof h ALA 61 N 1.24 0.96 -0.20 2.92 0.00 -1.98 0.45 119.26 122.65 1uof h ALA 61 Ca 0.23 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1uof h ALA 61 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1uof h ALA 61 CO -0.01 0.62 -0.66 0.93 0.00 0.00 0.00 179.25 180.13 1uof h GLU 62 N 0.34 0.75 -0.13 0.00 5.08 -1.86 -2.48 114.58 116.27 1uof h GLU 62 Ca 0.03 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1uof h GLU 62 Cb 0.87 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1uof h GLU 62 CO 0.07 1.16 -0.02 0.87 -1.00 0.00 0.00 179.01 180.09 1uof h LYS 63 N 0.54 0.25 -0.95 2.33 1.57 -0.94 -3.18 116.57 116.19 1uof h LYS 63 Ca -0.02 -0.09 0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1uof h LYS 63 Cb 1.27 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.48 1uof h LYS 63 CO 0.14 0.52 0.61 -0.09 -0.57 0.00 0.00 179.45 180.05 1uof h ARG 64 N -0.04 0.88 0.00 3.15 2.43 -0.90 -0.24 114.38 119.65 1uof h ARG 64 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1uof h ARG 64 Cb 0.42 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1uof h ARG 64 CO 0.01 0.58 0.00 0.00 -1.51 0.00 0.00 179.97 179.05 1uof h ALA 65 N 1.55 1.00 -0.01 2.80 0.00 -1.43 -2.23 119.26 120.96 1uof h ALA 65 Ca 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1uof h ALA 65 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1uof h ALA 65 CO -0.23 0.00 -0.22 1.33 0.00 0.00 0.00 179.25 180.13 1uof n VAL 66 N -2.58 2.04 -4.20 0.00 0.24 -0.16 -4.93 118.33 108.74 1uof n VAL 66 Ca 0.00 -2.70 -0.34 0.00 -2.04 0.00 0.00 64.34 59.26 1uof n VAL 66 Cb 0.18 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.19 1uof n VAL 66 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1uof s THR 67 N -3.04 4.03 0.70 3.34 2.01 -0.81 -0.25 115.64 121.61 1uof s THR 67 Ca 0.35 -0.30 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 1uof s THR 67 Cb 0.32 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1uof s THR 67 CO -0.01 0.46 1.16 -0.44 -0.69 0.00 0.00 174.62 175.10 1uof s SER 68 N 0.67 4.60 0.25 3.53 0.01 -1.26 -4.94 113.70 116.56 1uof s SER 68 Ca -0.01 2.21 0.24 0.00 1.31 0.00 0.00 55.95 59.70 1uof s SER 68 Cb -0.14 -2.57 0.95 0.00 0.21 0.00 0.00 66.02 64.46 1uof s SER 68 CO 0.02 -1.98 1.73 -0.81 0.41 0.00 0.00 173.24 172.61 1uof n PRO 69 N -2.56 0.21 -5.07 12.44 -0.04 -1.26 -4.48 135.00 134.23 1uof n PRO 69 Ca 0.12 0.38 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 1uof n PRO 69 Cb 0.51 -1.85 -0.15 0.00 -0.04 0.00 0.00 33.50 31.96 1uof n PRO 69 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1uof s VAL 70 N -3.27 2.50 -1.33 0.52 -7.23 -1.26 -5.04 120.40 105.29 1uof s VAL 70 Ca 0.06 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1uof s VAL 70 Cb 0.10 -1.96 0.13 0.00 0.56 0.00 0.00 36.38 35.21 1uof s VAL 70 CO 0.44 0.57 1.97 -0.81 -0.31 0.00 0.00 175.10 176.95 1uof n PRO 71 N 2.93 3.38 0.00 4.82 -0.04 -1.26 -4.63 135.00 140.20 1uof n PRO 71 Ca -0.18 -3.25 0.10 0.00 -0.04 0.00 0.00 63.50 60.14 1uof n PRO 71 Cb 0.52 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 1uof n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uof n THR 72 N 3.93 0.00 -1.91 0.52 -2.24 -1.26 -4.96 114.28 108.36 1uof n THR 72 Ca 0.43 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.99 1uof n THR 72 Cb 0.37 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1uof n THR 72 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1uof n MET 73 N -1.10 -1.19 -0.01 -0.78 2.81 -1.26 -4.90 117.12 110.69 1uof n MET 73 Ca 0.06 0.91 -0.22 0.00 -1.81 0.00 0.00 57.70 56.64 1uof n MET 73 Cb 0.37 -5.19 -0.14 0.00 -0.71 0.00 0.00 33.22 27.55 1uof n MET 73 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1uof h ARG 74 N 0.00 0.22 -3.74 0.03 2.43 -1.93 -3.45 114.38 107.94 1uof h ARG 74 Ca -0.35 -0.38 -0.26 0.00 -0.81 0.00 0.00 59.98 58.18 1uof h ARG 74 Cb 1.17 0.14 -0.30 0.00 -0.42 0.00 0.00 29.97 30.56 1uof h ARG 74 CO 0.46 1.18 -0.73 1.03 -1.51 0.00 0.00 179.97 180.40 1uof s ARG 75 N -2.50 0.05 1.96 0.20 1.81 -1.26 -3.88 118.95 115.33 1uof s ARG 75 Ca -0.22 0.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 1uof s ARG 75 Cb 0.06 -0.12 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1uof s ARG 75 CO 0.74 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.74 1uof n GLY 76 N 3.37 -0.97 3.82 -3.53 0.00 -0.17 -4.33 105.19 103.37 1uof n GLY 76 Ca -0.16 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 1uof n GLY 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uof s PHE 77 N 0.00 3.73 -0.04 1.61 5.36 0.65 -0.97 117.98 128.32 1uof s PHE 77 Ca 0.00 1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 57.16 1uof s PHE 77 Cb 0.00 -2.44 0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1uof s PHE 77 CO 0.00 0.53 0.00 0.99 -1.46 0.00 0.00 175.22 175.28 1uof s THR 78 N -1.24 0.22 -0.07 0.12 2.01 -0.67 -4.52 115.64 111.50 1uof s THR 78 Ca 0.32 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 1uof s THR 78 Cb -0.18 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1uof s THR 78 CO 0.19 0.18 0.67 -0.83 -0.69 0.00 0.00 174.62 174.14 1uof s GLY 79 N 1.33 2.60 0.00 4.40 0.00 -1.26 -0.70 107.32 113.69 1uof s GLY 79 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1uof s GLY 79 CO -0.02 1.12 0.21 -0.10 0.00 0.00 0.00 173.10 174.31 1uof n LEU 80 N 3.73 0.00 -2.48 0.66 -0.00 -1.26 -4.99 117.00 112.66 1uof n LEU 80 Ca -0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1uof n LEU 80 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1uof n LEU 80 CO 0.47 0.19 0.04 0.00 -0.00 0.00 0.00 177.39 178.08 1uof n TYR 97 N 0.00 0.00 -4.03 1.96 -0.00 -1.26 -4.67 117.16 109.16 1uof n TYR 97 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.81 1uof n TYR 97 Cb 0.44 -0.14 -0.08 0.00 -0.00 0.00 0.00 39.34 39.55 1uof n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1uof s SER 98 N 0.70 0.18 0.08 9.48 1.04 -1.26 -4.82 113.70 119.11 1uof s SER 98 Ca 0.00 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.53 1uof s SER 98 Cb 0.00 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1uof s SER 98 CO 0.00 -0.79 -0.21 -0.04 0.98 0.00 0.00 173.24 173.18 1uof s MET 99 N -3.98 1.22 0.09 4.02 1.00 -0.69 -4.49 119.30 116.47 1uof s MET 99 Ca 0.18 -1.09 0.06 0.00 0.00 0.00 0.00 55.69 54.84 1uof s MET 99 Cb 0.05 -1.44 -0.03 0.00 0.00 0.00 0.00 34.83 33.41 1uof s MET 99 CO -0.01 0.35 -0.17 0.00 0.00 0.00 0.00 175.02 175.19 1uof s TYR 101 N -1.38 1.00 0.13 0.00 5.04 -0.12 -1.67 117.35 120.35 1uof s TYR 101 Ca 0.03 -0.38 0.10 0.00 -2.44 0.00 0.00 57.07 54.38 1uof s TYR 101 Cb -0.09 -0.93 -0.04 0.00 0.35 0.00 0.00 41.96 41.25 1uof s TYR 101 CO 0.03 -0.36 -0.24 -1.12 -1.34 0.00 0.00 175.55 172.52 1uof s SER 102 N 1.61 3.49 0.03 4.32 0.01 -0.14 -0.42 113.70 122.59 1uof s SER 102 Ca 0.01 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 56.44 1uof s SER 102 Cb -0.13 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.80 1uof s SER 102 CO -0.05 0.17 0.26 -0.04 0.41 0.00 0.00 173.24 174.00 1uof s MET 103 N -2.14 0.72 0.00 12.44 -1.94 -0.37 -1.00 119.30 127.01 1uof s MET 103 Ca 0.16 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 1uof s MET 103 Cb -0.10 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1uof s MET 103 CO 0.07 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 1uof n GLY 104 N 0.83 5.29 0.15 -0.03 0.00 -1.26 -1.06 105.19 109.12 1uof n GLY 104 Ca -0.20 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1uof n GLY 104 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1uof h THR 105 N 0.00 0.00 -3.39 2.61 1.35 -1.96 -3.47 112.91 108.05 1uof h THR 105 Ca 0.00 -0.61 -0.10 0.00 -0.55 0.00 0.00 66.41 65.15 1uof h THR 105 Cb 0.00 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 1uof h THR 105 CO 0.00 0.00 0.11 0.00 -0.25 0.00 0.00 175.52 175.38 1uof s ALA 106 N -3.20 -0.25 -1.48 6.62 0.00 -1.26 -4.97 121.76 117.22 1uof s ALA 106 Ca 0.08 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1uof s ALA 106 Cb 0.10 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1uof s ALA 106 CO 0.59 -0.92 0.61 -0.25 0.00 0.00 0.00 175.76 175.79 1uof n ASP 107 N -1.33 -5.49 -4.89 0.00 8.00 -1.26 -4.97 116.55 106.61 1uof n ASP 107 Ca -0.05 -0.33 -0.29 0.00 0.71 0.00 0.00 54.79 54.84 1uof n ASP 107 Cb 0.60 -4.45 -0.01 0.00 -0.02 0.00 0.00 41.12 37.25 1uof n ASP 107 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1uof s ASN 108 N -2.74 6.31 -0.20 -2.24 0.01 -1.26 -4.89 114.94 109.93 1uof s ASN 108 Ca 0.35 1.05 0.01 0.00 -0.71 0.00 0.00 52.86 53.56 1uof s ASN 108 Cb -0.16 -2.30 0.04 0.00 0.41 0.00 0.00 41.25 39.24 1uof s ASN 108 CO 0.43 -0.59 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.55 1uof s LEU 109 N -4.64 2.35 -0.09 0.60 1.43 -1.26 -5.02 118.68 112.05 1uof s LEU 109 Ca 0.49 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1uof s LEU 109 Cb -0.10 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1uof s LEU 109 CO 0.44 -0.14 -0.22 -0.36 0.23 0.00 0.00 176.35 176.30 1uof s PHE 110 N 1.37 2.56 0.78 0.29 0.08 -1.26 -4.48 117.98 117.31 1uof s PHE 110 Ca -0.01 -0.85 -0.14 0.00 0.12 0.00 0.00 56.93 56.04 1uof s PHE 110 Cb -0.16 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 1uof s PHE 110 CO -0.08 -0.30 1.22 -2.14 -0.10 0.00 0.00 175.22 173.82 1uof s PRO 111 N 0.14 1.81 4.25 0.24 0.02 -1.26 -4.97 135.00 135.23 1uof s PRO 111 Ca -0.12 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1uof s PRO 111 Cb -0.16 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1uof s PRO 111 CO 0.07 -2.09 0.00 -1.13 -0.33 0.00 0.00 177.00 173.51 1uof n SER 112 N -3.04 0.00 0.02 2.53 3.41 -1.26 -4.41 113.62 110.87 1uof n SER 112 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.74 1uof n SER 112 Cb 0.50 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1uof n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uof n GLY 113 N 0.00 -0.09 0.06 5.00 0.00 -1.26 -4.92 105.19 103.97 1uof n GLY 113 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1uof n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uof n ASP 114 N -3.31 0.62 -0.13 1.61 9.92 -1.26 -4.08 116.55 119.92 1uof n ASP 114 Ca -0.02 0.19 -0.04 0.00 -0.53 0.00 0.00 54.79 54.39 1uof n ASP 114 Cb 0.07 -0.08 0.02 0.00 -0.64 0.00 0.00 41.12 40.48 1uof n ASP 114 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1uof h PHE 115 N 0.00 -0.27 -0.60 1.24 3.04 -1.92 -2.73 116.94 115.71 1uof h PHE 115 Ca 0.00 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.10 1uof h PHE 115 Cb 0.68 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 39.29 1uof h PHE 115 CO 0.00 -0.20 0.14 1.49 -2.02 0.00 0.00 178.31 177.72 1uof h GLU 116 N -0.02 0.26 0.05 1.11 4.81 -1.77 0.24 114.58 119.26 1uof h GLU 116 Ca 0.21 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1uof h GLU 116 Cb 0.34 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1uof h GLU 116 CO -0.45 0.17 -0.02 0.00 -0.73 0.00 0.00 179.01 177.98 1uof h ARG 117 N 0.27 -0.06 -0.20 1.92 3.08 -1.73 0.92 114.38 118.58 1uof h ARG 117 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1uof h ARG 117 Cb 0.46 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1uof h ARG 117 CO -0.39 0.06 0.09 0.82 -1.07 0.00 0.00 179.97 179.48 1uof h ILE 118 N -0.18 1.15 -0.00 2.04 2.04 -1.15 -2.03 117.51 119.38 1uof h ILE 118 Ca -0.01 -0.44 -0.18 0.00 1.00 0.00 0.00 64.86 65.23 1uof h ILE 118 Cb 0.16 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1uof h ILE 118 CO 0.01 0.15 -0.81 -0.50 0.00 0.00 0.00 178.15 176.99 1uof h TRP 119 N 0.19 0.19 -0.38 1.37 4.06 -0.46 -0.31 115.95 120.60 1uof h TRP 119 Ca 0.07 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 1uof h TRP 119 Cb 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 1uof h TRP 119 CO -0.02 0.88 0.12 1.15 -3.56 0.00 0.00 178.44 177.02 1uof h THR 120 N 0.08 1.21 -0.69 1.49 2.02 -0.73 0.28 112.91 116.56 1uof h THR 120 Ca -0.03 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1uof h THR 120 Cb 1.42 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1uof h THR 120 CO 0.12 0.24 0.41 -0.61 0.37 0.00 0.00 175.52 176.05 1uof h GLN 121 N 0.47 0.95 -0.06 6.66 4.15 -1.25 -0.90 115.11 125.14 1uof h GLN 121 Ca 0.12 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1uof h GLN 121 Cb 0.25 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1uof h GLN 121 CO -0.00 0.69 0.02 -0.92 -1.93 0.00 0.00 178.83 176.68 1uof h TYR 122 N 0.95 0.09 -0.66 3.99 3.20 -0.85 -1.75 116.97 121.93 1uof h TYR 122 Ca 0.25 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.20 1uof h TYR 122 Cb -0.01 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 1uof h TYR 122 CO -0.01 0.22 0.31 0.35 -1.64 0.00 0.00 178.16 177.39 1uof h PHE 123 N -0.07 0.56 -0.67 -3.82 3.57 -0.89 -1.43 116.94 114.19 1uof h PHE 123 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1uof h PHE 123 Cb 0.17 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1uof h PHE 123 CO -0.02 0.20 0.32 -0.44 -2.23 0.00 0.00 178.31 176.14 1uof h ASP 124 N 0.55 0.88 -0.96 0.41 3.32 -0.84 0.18 116.42 119.95 1uof h ASP 124 Ca 0.32 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1uof h ASP 124 Cb 0.34 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1uof h ASP 124 CO -0.26 0.77 0.63 0.03 -1.72 0.00 0.00 179.24 178.69 1uof h ARG 125 N 0.93 1.25 -0.18 3.56 3.08 -0.88 0.13 114.38 122.27 1uof h ARG 125 Ca 0.23 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 1uof h ARG 125 Cb 0.12 -0.28 0.01 0.00 0.08 0.00 0.00 29.97 29.90 1uof h ARG 125 CO -0.03 0.83 -0.73 1.96 -1.07 0.00 0.00 179.97 180.93 1uof h GLN 126 N 1.29 0.80 -0.23 0.04 1.08 -0.53 -1.46 115.11 116.09 1uof h GLN 126 Ca 0.35 -0.62 -0.15 0.00 -1.45 0.00 0.00 58.65 56.79 1uof h GLN 126 Cb -0.13 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1uof h GLN 126 CO -0.08 1.23 -0.47 -0.92 -0.95 0.00 0.00 178.83 177.64 1uof h TYR 127 N 0.56 0.74 -0.36 2.96 3.20 -0.26 -0.92 116.97 122.89 1uof h TYR 127 Ca -0.04 -0.24 -0.07 0.00 3.14 0.00 0.00 58.73 61.53 1uof h TYR 127 Cb 1.35 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1uof h TYR 127 CO 0.08 0.96 -0.03 1.15 -1.64 0.00 0.00 178.16 178.68 1uof h THR 128 N 0.49 1.27 -0.57 1.81 2.02 -0.72 -0.88 112.91 116.32 1uof h THR 128 Ca 0.03 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 1uof h THR 128 Cb 1.00 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1uof h THR 128 CO 0.09 0.35 0.15 0.00 0.37 0.00 0.00 175.52 176.48 1uof h ALA 129 N 0.85 0.75 -0.51 6.16 0.00 -1.17 -1.26 119.26 124.09 1uof h ALA 129 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1uof h ALA 129 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1uof h ALA 129 CO 0.02 0.44 0.28 0.66 0.00 0.00 0.00 179.25 180.66 1uof h SER 130 N 0.81 0.63 -0.62 0.00 4.64 -1.09 -0.92 113.55 116.99 1uof h SER 130 Ca 0.18 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1uof h SER 130 Cb 0.33 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1uof h SER 130 CO 0.00 0.54 0.21 0.03 -0.87 0.00 0.00 176.83 176.74 1uof h ARG 131 N 0.67 0.96 -0.48 4.77 3.08 -1.07 -1.89 114.38 120.42 1uof h ARG 131 Ca 0.18 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1uof h ARG 131 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1uof h ARG 131 CO -0.03 0.83 0.30 0.00 -1.07 0.00 0.00 179.97 180.01 1uof h ALA 132 N 1.08 0.61 -0.17 0.04 0.00 -1.01 0.71 119.26 120.51 1uof h ALA 132 Ca 0.20 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1uof h ALA 132 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uof h ALA 132 CO -0.01 0.08 -0.53 -0.24 0.00 0.00 0.00 179.25 178.55 1uof h VAL 133 N 0.64 1.33 -0.50 0.00 3.04 -1.12 -2.35 116.25 117.30 1uof h VAL 133 Ca 0.17 -1.79 -0.09 0.00 -1.01 0.00 0.00 66.70 63.99 1uof h VAL 133 Cb -0.04 1.78 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1uof h VAL 133 CO -0.03 0.55 -0.04 0.00 -1.01 0.00 0.00 177.57 177.03 1uof h ALA 134 N 1.05 0.99 -0.99 3.17 0.00 -1.06 -0.52 119.26 121.89 1uof h ALA 134 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1uof h ALA 134 Cb 1.06 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1uof h ALA 134 CO 0.10 0.61 0.65 -0.09 0.00 0.00 0.00 179.25 180.52 1uof h ARG 135 N 0.80 1.25 -0.14 0.00 2.43 -0.60 -0.50 114.38 117.62 1uof h ARG 135 Ca 0.14 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 1uof h ARG 135 Cb 0.53 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1uof h ARG 135 CO 0.03 0.83 -0.50 0.93 -1.51 0.00 0.00 179.97 179.74 1uof h GLU 136 N 1.29 0.37 -0.24 0.20 4.39 -0.81 -0.54 114.58 119.23 1uof h GLU 136 Ca 0.38 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1uof h GLU 136 Cb -0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1uof h GLU 136 CO -0.11 0.79 -0.03 0.28 -1.16 0.00 0.00 179.01 178.78 1uof h VAL 137 N 0.29 1.27 -0.29 3.13 2.07 -0.47 0.44 116.25 122.70 1uof h VAL 137 Ca 0.01 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1uof h VAL 137 Cb 0.99 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1uof h VAL 137 CO 0.09 0.31 0.17 -0.07 0.02 0.00 0.00 177.57 178.08 1uof h LEU 138 N 0.20 0.35 -0.74 2.57 3.38 -0.98 -2.93 115.31 117.15 1uof h LEU 138 Ca 0.06 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1uof h LEU 138 Cb 0.48 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1uof h LEU 138 CO 0.02 0.32 0.49 -0.09 0.09 0.00 0.00 178.44 179.27 1uof h ARG 139 N 0.36 0.96 0.00 1.13 2.43 -0.97 -0.42 114.38 117.87 1uof h ARG 139 Ca 0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1uof h ARG 139 Cb 0.04 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1uof h ARG 139 CO -0.02 0.64 -0.10 0.00 -1.51 0.00 0.00 179.97 178.98 1uof h ALA 140 N 1.28 1.23 -0.21 2.80 0.00 -0.74 -2.37 119.26 121.25 1uof h ALA 140 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1uof h ALA 140 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uof h ALA 140 CO -0.07 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.56 1uof n THR 141 N -3.54 0.50 -2.40 0.00 -2.24 -1.07 -4.90 114.28 100.63 1uof n THR 141 Ca -0.02 -0.75 -0.16 0.00 -2.27 0.00 0.00 64.05 60.86 1uof n THR 141 Cb 0.24 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1uof n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uof n GLY 142 N 0.72 -0.27 3.70 3.38 0.00 -0.72 -4.98 105.19 107.02 1uof n GLY 142 Ca 0.11 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1uof n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uof s THR 143 N -2.83 5.35 -0.39 2.61 2.01 -0.25 -5.04 115.64 117.10 1uof s THR 143 Ca 0.04 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1uof s THR 143 Cb -0.02 -3.55 0.09 0.00 0.01 0.00 0.00 72.50 69.03 1uof s THR 143 CO 0.05 0.38 0.18 -0.70 -0.69 0.00 0.00 174.62 173.84 1uof s GLU 144 N 0.68 2.23 0.64 4.92 2.56 -1.26 -4.63 118.70 123.84 1uof s GLU 144 Ca 0.11 -1.62 -0.18 0.00 0.00 0.00 0.00 54.97 53.29 1uof s GLU 144 Cb -0.13 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 1uof s GLU 144 CO 0.02 -0.95 1.04 -2.30 -0.56 0.00 0.00 175.26 172.52 1uof n PRO 145 N 4.68 0.87 -1.67 4.30 -0.02 -1.26 -4.85 135.00 137.05 1uof n PRO 145 Ca -0.06 0.35 -0.47 0.00 -2.02 0.00 0.00 63.50 61.29 1uof n PRO 145 Cb 0.42 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 1uof n PRO 145 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1uof n ASP 146 N -1.23 3.07 0.00 2.55 2.03 -1.26 -0.58 116.55 121.13 1uof n ASP 146 Ca 0.14 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.51 1uof n ASP 146 Cb 0.48 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1uof n ASP 146 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uof n GLY 147 N 3.63 1.29 0.00 0.27 0.00 -1.26 -4.75 105.19 104.38 1uof n GLY 147 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1uof n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uof n GLY 148 N -2.00 1.31 0.12 -0.02 0.00 0.26 -4.59 105.19 100.27 1uof n GLY 148 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1uof n GLY 148 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1uof h VAL 149 N 0.00 0.92 -0.15 1.61 2.07 -1.93 -2.58 116.25 116.20 1uof h VAL 149 Ca 0.00 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1uof h VAL 149 Cb 0.00 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1uof h VAL 149 CO 0.00 0.08 -0.55 -0.33 0.02 0.00 0.00 177.57 176.79 1uof h GLU 150 N -0.36 0.44 -0.17 1.57 4.39 -1.98 -1.94 114.58 116.53 1uof h GLU 150 Ca -0.02 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1uof h GLU 150 Cb 0.28 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1uof h GLU 150 CO 0.03 0.87 -0.25 0.00 -1.16 0.00 0.00 179.01 178.51 1uof h ALA 151 N 1.07 1.28 -0.65 3.43 0.00 -1.81 -1.84 119.26 120.74 1uof h ALA 151 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1uof h ALA 151 Cb 1.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1uof h ALA 151 CO 0.10 0.48 0.31 0.35 0.00 0.00 0.00 179.25 180.49 1uof h PHE 152 N 0.27 0.94 0.00 0.00 3.57 -1.03 -3.23 116.94 117.46 1uof h PHE 152 Ca 0.04 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1uof h PHE 152 Cb 0.59 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1uof h PHE 152 CO 0.01 0.71 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.52 1uof h LEU 153 N 0.90 0.00 -7.95 0.59 3.38 -1.09 -3.39 115.31 107.75 1uof h LEU 153 Ca 0.22 -0.04 -0.68 0.00 0.09 0.00 0.00 57.88 57.47 1uof h LEU 153 Cb 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.72 1uof h LEU 153 CO -0.03 0.02 1.24 -0.62 0.09 0.00 0.00 178.44 179.14 1uof s ASP 154 N -4.96 6.70 0.00 -0.43 2.15 -0.72 -4.88 116.67 114.53 1uof s ASP 154 Ca 0.08 -2.12 0.00 0.00 0.43 0.00 0.00 52.55 50.94 1uof s ASP 154 Cb 0.10 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1uof s ASP 154 CO 0.66 -1.12 0.00 0.00 -0.17 0.00 0.00 175.17 174.53 1uof n GLU 156 N 0.00 2.11 -1.31 0.00 4.07 -0.35 -4.89 120.64 120.27 1uof n GLU 156 Ca 0.00 -4.17 -0.32 0.00 -0.06 0.00 0.00 57.16 52.62 1uof n GLU 156 Cb 0.00 -1.95 0.09 0.00 -0.06 0.00 0.00 31.44 29.52 1uof n GLU 156 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1uof s PRO 157 N -2.73 2.21 -0.07 5.31 0.04 -1.26 -3.96 135.00 134.54 1uof s PRO 157 Ca 0.43 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 1uof s PRO 157 Cb 0.27 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.97 1uof s PRO 157 CO -0.10 -1.70 0.15 -1.17 0.04 0.00 0.00 177.00 174.23 1uof s LEU 158 N -5.73 0.62 -0.15 -3.56 2.96 -0.67 -4.57 118.68 107.58 1uof s LEU 158 Ca 0.64 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1uof s LEU 158 Cb -0.19 0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.85 1uof s LEU 158 CO 0.52 -0.16 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.06 1uof s LEU 159 N 1.30 2.70 -0.11 -0.68 2.96 -0.22 -0.98 118.68 123.66 1uof s LEU 159 Ca -0.08 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1uof s LEU 159 Cb -0.12 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1uof s LEU 159 CO -0.06 0.11 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.75 1uof s ARG 160 N 0.67 2.64 -0.22 1.98 0.52 -0.04 -1.23 118.95 123.27 1uof s ARG 160 Ca -0.06 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 1uof s ARG 160 Cb -0.15 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 1uof s ARG 160 CO 0.02 0.05 -0.02 0.12 0.02 0.00 0.00 175.30 175.49 1uof s PHE 161 N 0.66 2.98 -0.04 -0.53 2.19 0.44 -0.90 117.98 122.78 1uof s PHE 161 Ca -0.13 -0.79 0.05 0.00 0.33 0.00 0.00 56.93 56.40 1uof s PHE 161 Cb -0.16 -2.12 -0.02 0.00 -1.31 0.00 0.00 43.02 39.40 1uof s PHE 161 CO 0.03 -0.47 -0.19 0.50 1.83 0.00 0.00 175.22 176.92 1uof s ARG 162 N 1.42 2.38 -0.02 10.12 3.52 -0.17 -0.94 118.95 135.25 1uof s ARG 162 Ca 0.05 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 54.88 1uof s ARG 162 Cb -0.14 -2.25 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 1uof s ARG 162 CO -0.01 0.59 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.53 1uof s TYR 163 N -0.65 0.74 0.00 5.12 5.04 0.05 -1.87 117.35 125.77 1uof s TYR 163 Ca 0.10 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1uof s TYR 163 Cb -0.11 -0.56 0.00 0.00 0.35 0.00 0.00 41.96 41.64 1uof s TYR 163 CO 0.00 -0.10 0.00 1.19 -1.34 0.00 0.00 175.55 175.30 1uof n PHE 164 N 3.44 0.00 0.00 4.97 3.01 0.02 -1.71 117.46 127.19 1uof n PHE 164 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1uof n PHE 164 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1uof n PHE 164 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1uof n ARG 179 N 0.00 0.00 -3.75 -1.08 5.12 -1.19 -4.76 116.66 110.99 1uof n ARG 179 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1uof n ARG 179 Cb 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 32.46 31.12 1uof n ARG 179 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1uof s MET 180 N 0.00 0.53 0.69 5.56 1.75 -1.18 -4.91 119.30 121.73 1uof s MET 180 Ca 0.00 0.10 -0.13 0.00 -1.25 0.00 0.00 55.69 54.41 1uof s MET 180 Cb 0.00 -1.01 0.01 0.00 2.84 0.00 0.00 34.83 36.67 1uof s MET 180 CO 0.00 -0.34 1.08 0.00 -0.65 0.00 0.00 175.02 175.12 1uof s ALA 181 N 1.99 2.51 0.27 4.11 0.00 -1.26 -1.95 121.76 127.43 1uof s ALA 181 Ca 0.05 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 1uof s ALA 181 Cb -0.13 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 1uof s ALA 181 CO -0.05 -1.31 1.53 -2.30 0.00 0.00 0.00 175.76 173.64 1uof n PRO 182 N -2.81 2.45 -3.86 0.00 -0.02 -1.26 -4.69 135.00 124.82 1uof n PRO 182 Ca 0.09 0.87 -0.09 0.00 -2.02 0.00 0.00 63.50 62.35 1uof n PRO 182 Cb 0.53 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 1uof n PRO 182 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1uof s HIS 183 N 0.05 0.10 0.26 6.00 -3.43 -0.50 -4.60 115.29 113.18 1uof s HIS 183 Ca 0.66 -0.46 0.12 0.00 -0.80 0.00 0.00 55.06 54.58 1uof s HIS 183 Cb -0.56 0.29 -0.05 0.00 -1.43 0.00 0.00 32.58 30.83 1uof s HIS 183 CO 0.48 -0.93 -0.19 1.52 -2.00 0.00 0.00 174.74 173.62 1uof s TYR 184 N -3.93 2.35 0.18 0.38 1.13 -0.14 -1.09 117.35 116.23 1uof s TYR 184 Ca 0.14 -0.32 -0.13 0.00 -1.41 0.00 0.00 57.07 55.35 1uof s TYR 184 Cb -0.01 -1.06 -0.07 0.00 -1.10 0.00 0.00 41.96 39.73 1uof s TYR 184 CO 0.02 0.65 0.56 -0.51 -2.51 0.00 0.00 175.55 173.77 1uof s ASP 185 N -3.31 6.76 0.00 -0.18 1.01 -1.26 -0.97 116.67 118.71 1uof s ASP 185 Ca 0.28 1.05 0.18 0.00 0.71 0.00 0.00 52.55 54.77 1uof s ASP 185 Cb -0.06 -2.28 0.51 0.00 1.01 0.00 0.00 42.92 42.11 1uof s ASP 185 CO 0.14 0.03 1.43 0.18 0.21 0.00 0.00 175.17 177.16 1uof n LEU 186 N 0.44 3.01 -4.78 1.23 4.77 -0.31 -0.50 117.00 120.87 1uof n LEU 186 Ca -0.03 -1.48 -0.29 0.00 -0.03 0.00 0.00 56.01 54.18 1uof n LEU 186 Cb 0.52 -0.36 0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1uof n LEU 186 CO 0.43 0.74 0.71 -0.94 -1.33 0.00 0.00 177.39 177.01 1uof s SER 187 N -1.07 3.35 -0.00 -1.43 1.04 -1.26 -4.20 113.70 110.12 1uof s SER 187 Ca 0.38 0.93 -0.20 0.00 0.48 0.00 0.00 55.95 57.55 1uof s SER 187 Cb 0.20 -1.48 -0.11 0.00 0.10 0.00 0.00 66.02 64.74 1uof s SER 187 CO 0.26 -2.65 0.88 -0.03 0.98 0.00 0.00 173.24 172.69 1uof h MET 188 N -1.56 -0.68 -4.58 4.02 4.05 -1.23 -1.14 114.93 113.81 1uof h MET 188 Ca -0.50 0.05 -0.21 0.00 -0.28 0.00 0.00 59.70 58.76 1uof h MET 188 Cb 1.33 0.15 -0.15 0.00 -0.80 0.00 0.00 31.60 32.13 1uof h MET 188 CO 0.60 -0.45 -0.70 0.14 0.23 0.00 0.00 176.91 176.73 1uof s VAL 189 N -3.91 0.61 -0.09 -5.77 -7.23 -1.24 -1.66 120.40 101.10 1uof s VAL 189 Ca -0.10 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1uof s VAL 189 Cb 0.01 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1uof s VAL 189 CO 0.31 -0.87 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.20 1uof s THR 190 N -3.56 1.33 -0.16 5.32 2.01 -0.01 -1.31 115.64 119.26 1uof s THR 190 Ca 0.10 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 1uof s THR 190 Cb 0.05 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1uof s THR 190 CO -0.05 0.41 0.09 -0.76 -0.69 0.00 0.00 174.62 173.61 1uof s LEU 191 N 0.90 4.01 -0.11 4.42 1.02 0.11 -1.05 118.68 127.99 1uof s LEU 191 Ca -0.09 0.21 -0.01 0.00 0.02 0.00 0.00 54.13 54.26 1uof s LEU 191 Cb -0.15 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.08 1uof s LEU 191 CO 0.00 0.25 -0.06 -0.63 0.02 0.00 0.00 176.35 175.94 1uof s ILE 192 N -0.07 0.87 -0.11 -0.59 1.01 0.34 -0.69 121.20 121.97 1uof s ILE 192 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1uof s ILE 192 Cb -0.12 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1uof s ILE 192 CO 0.01 0.33 -0.00 -1.10 0.00 0.00 0.00 174.94 174.18 1uof s GLN 193 N 1.77 3.20 0.30 2.79 -0.21 -0.12 -2.08 119.66 125.31 1uof s GLN 193 Ca 0.05 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.03 1uof s GLN 193 Cb -0.13 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 30.97 1uof s GLN 193 CO -0.08 0.58 0.07 -0.65 -2.12 0.00 0.00 175.29 173.10 1uof s GLN 194 N -0.54 1.57 -0.05 2.91 -0.21 -1.26 -1.53 119.66 120.56 1uof s GLN 194 Ca 0.09 -1.87 -0.16 0.00 0.02 0.00 0.00 55.36 53.45 1uof s GLN 194 Cb -0.12 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 1uof s GLN 194 CO 0.02 -0.23 0.42 0.95 -2.12 0.00 0.00 175.29 174.34 1uof s THR 195 N -3.46 5.09 0.76 -0.19 -4.23 -1.12 -4.91 115.64 107.59 1uof s THR 195 Ca 0.37 0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 61.63 1uof s THR 195 Cb 0.08 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.23 1uof s THR 195 CO 0.15 0.48 1.08 -2.16 -0.54 0.00 0.00 174.62 173.63 1uof s PRO 196 N -0.39 2.40 0.00 3.99 0.04 -1.26 -4.77 135.00 135.01 1uof s PRO 196 Ca 0.24 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1uof s PRO 196 Cb -0.16 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1uof s PRO 196 CO 0.12 -1.46 0.00 0.34 0.04 0.00 0.00 177.00 176.03 1uof n PHE 201 N -3.36 0.00 -3.76 0.56 7.35 -1.26 -5.07 117.46 111.92 1uof n PHE 201 Ca 0.08 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.40 1uof n PHE 201 Cb 0.54 -0.37 -0.12 0.00 0.35 0.00 0.00 39.48 39.89 1uof n PHE 201 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1uof s VAL 202 N -0.90 3.47 0.20 -2.13 1.01 -1.26 -4.97 120.40 115.83 1uof s VAL 202 Ca 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.20 1uof s VAL 202 Cb 0.00 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1uof s VAL 202 CO 0.00 -0.54 1.51 0.77 0.00 0.00 0.00 175.10 176.84 1uof h SER 203 N 8.13 0.52 -3.37 3.32 4.64 -1.92 -3.45 113.55 121.42 1uof h SER 203 Ca -0.17 -0.29 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 1uof h SER 203 Cb 1.06 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 1uof h SER 203 CO 0.68 0.99 0.21 -0.22 -0.87 0.00 0.00 176.83 177.62 1uof s LEU 204 N -8.20 4.31 0.06 5.97 2.96 -1.26 -0.42 118.68 122.12 1uof s LEU 204 Ca -0.06 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 1uof s LEU 204 Cb 0.11 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 1uof s LEU 204 CO 0.83 -0.19 -0.07 -1.10 -1.32 0.00 0.00 176.35 174.49 1uof s GLN 205 N 1.03 0.65 0.06 1.98 -0.21 -0.84 -1.20 119.66 121.13 1uof s GLN 205 Ca 0.42 -1.00 0.02 0.00 0.02 0.00 0.00 55.36 54.81 1uof s GLN 205 Cb -0.19 -0.24 -0.03 0.00 1.00 0.00 0.00 33.01 33.55 1uof s GLN 205 CO 0.20 0.02 -0.07 0.00 -2.12 0.00 0.00 175.29 173.32 1uof s ALA 206 N -2.36 0.66 -0.20 6.09 0.00 -0.88 -1.36 121.76 123.71 1uof s ALA 206 Ca -0.01 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 1uof s ALA 206 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1uof s ALA 206 CO -0.02 -0.08 1.58 -2.00 0.00 0.00 0.00 175.76 175.24 1uof s GLU 207 N -2.16 3.86 -0.08 0.00 -6.30 -0.36 0.08 118.70 113.75 1uof s GLU 207 Ca -0.05 1.69 0.01 0.00 -2.50 0.00 0.00 54.97 54.13 1uof s GLU 207 Cb -0.06 -4.01 0.02 0.00 0.00 0.00 0.00 34.13 30.08 1uof s GLU 207 CO -0.01 -1.21 -0.08 0.08 0.02 0.00 0.00 175.26 174.06 1uof s VAL 208 N 4.95 0.91 -1.71 3.70 1.01 -0.19 -4.76 120.40 124.31 1uof s VAL 208 Ca 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1uof s VAL 208 Cb -0.25 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1uof s VAL 208 CO 0.28 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1uof n GLY 209 N 4.37 -0.11 0.67 4.51 0.00 -1.26 -2.53 105.19 110.84 1uof n GLY 209 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1uof n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uof n GLY 210 N -0.87 0.80 3.13 -0.02 0.00 -1.26 -5.06 105.19 101.90 1uof n GLY 210 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1uof n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uof s ALA 211 N -2.14 -0.31 0.19 4.61 0.00 -1.05 -5.09 121.76 117.96 1uof s ALA 211 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 1uof s ALA 211 Cb 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 1uof s ALA 211 CO 0.00 -0.25 1.02 -0.06 0.00 0.00 0.00 175.76 176.47 1uof s PHE 212 N -1.77 3.76 -0.03 0.00 0.40 -1.26 -1.02 117.98 118.06 1uof s PHE 212 Ca -0.12 1.75 0.05 0.00 -0.60 0.00 0.00 56.93 58.02 1uof s PHE 212 Cb -0.05 -3.14 -0.01 0.00 0.51 0.00 0.00 43.02 40.33 1uof s PHE 212 CO -0.00 -0.09 -0.19 0.99 0.70 0.00 0.00 175.22 176.63 1uof s THR 213 N -0.52 1.53 0.45 0.64 2.01 0.11 -4.88 115.64 114.99 1uof s THR 213 Ca 0.46 -0.80 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1uof s THR 213 Cb -0.27 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.87 1uof s THR 213 CO 0.33 0.44 1.33 -1.81 -0.69 0.00 0.00 174.62 174.22 1uof s ASP 214 N -0.24 5.96 -0.56 3.53 1.01 -1.26 -2.07 116.67 123.03 1uof s ASP 214 Ca 0.02 2.71 0.05 0.00 0.71 0.00 0.00 52.55 56.05 1uof s ASP 214 Cb -0.09 -2.64 0.19 0.00 1.01 0.00 0.00 42.92 41.38 1uof s ASP 214 CO 0.01 -1.10 0.47 0.18 0.21 0.00 0.00 175.17 174.94 1uof n LEU 215 N -0.27 1.59 -4.82 1.23 4.77 -0.34 -4.90 117.00 114.27 1uof n LEU 215 Ca 0.06 -4.89 -0.32 0.00 -0.03 0.00 0.00 56.01 50.83 1uof n LEU 215 Cb 0.44 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1uof n LEU 215 CO 0.55 1.86 0.71 -2.16 -1.33 0.00 0.00 177.39 177.02 1uof s PRO 216 N -1.02 3.21 0.17 3.23 0.05 -1.26 -4.64 135.00 134.74 1uof s PRO 216 Ca 0.31 1.04 -0.32 0.00 0.05 0.00 0.00 61.00 62.07 1uof s PRO 216 Cb 0.03 -2.02 -0.16 0.00 0.05 0.00 0.00 34.50 32.40 1uof s PRO 216 CO -0.16 -0.89 1.04 0.98 0.05 0.00 0.00 177.00 178.03 1uof n TYR 217 N -2.55 0.98 -4.01 0.56 9.36 -1.26 -4.99 117.16 115.25 1uof n TYR 217 Ca 0.08 0.76 -0.31 0.00 3.32 0.00 0.00 57.90 61.75 1uof n TYR 217 Cb 0.53 -2.21 -0.16 0.00 -0.63 0.00 0.00 39.34 36.87 1uof n TYR 217 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1uof s ARG 218 N -0.57 2.08 0.01 2.98 1.81 -1.26 -5.02 118.95 118.97 1uof s ARG 218 Ca 0.72 -0.88 -0.01 0.00 -1.72 0.00 0.00 55.73 53.83 1uof s ARG 218 Cb -0.89 -2.46 -0.00 0.00 -0.45 0.00 0.00 34.95 31.15 1uof s ARG 218 CO 0.54 -0.43 0.69 -2.30 -0.68 0.00 0.00 175.30 173.12 1uof n PRO 219 N 4.66 -0.02 -1.71 3.54 -0.01 -1.26 -1.38 135.00 138.82 1uof n PRO 219 Ca -0.15 0.69 -0.25 0.00 -0.01 0.00 0.00 63.50 63.78 1uof n PRO 219 Cb 0.46 -1.03 0.05 0.00 -0.01 0.00 0.00 33.50 32.97 1uof n PRO 219 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1uof n ASP 220 N -2.82 5.50 -4.32 2.55 8.00 -1.26 -4.44 116.55 119.76 1uof n ASP 220 Ca 0.00 -3.77 -0.22 0.00 0.71 0.00 0.00 54.79 51.52 1uof n ASP 220 Cb 0.01 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.45 1uof n ASP 220 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uof s ALA 221 N -3.64 1.94 0.06 2.24 0.00 -0.48 -4.48 121.76 117.41 1uof s ALA 221 Ca 0.54 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1uof s ALA 221 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1uof s ALA 221 CO 0.02 0.23 -0.06 0.54 0.00 0.00 0.00 175.76 176.49 1uof s VAL 222 N -1.99 3.63 -0.15 0.00 0.11 -0.72 -4.59 120.40 116.69 1uof s VAL 222 Ca 0.14 -1.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 1uof s VAL 222 Cb -0.06 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 1uof s VAL 222 CO 0.06 0.23 0.39 -0.22 -3.33 0.00 0.00 175.10 172.24 1uof s LEU 223 N -1.89 4.24 -0.17 2.54 2.96 -0.88 -0.14 118.68 125.33 1uof s LEU 223 Ca 0.21 0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1uof s LEU 223 Cb -0.11 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 1uof s LEU 223 CO 0.12 0.02 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.40 1uof s VAL 224 N 0.71 3.32 -0.15 1.68 1.01 0.07 -0.51 120.40 126.54 1uof s VAL 224 Ca 0.21 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1uof s VAL 224 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1uof s VAL 224 CO 0.07 0.48 0.00 -0.36 0.00 0.00 0.00 175.10 175.30 1uof s PHE 225 N 0.76 3.12 0.28 5.22 0.08 -0.22 -2.00 117.98 125.23 1uof s PHE 225 Ca -0.03 -0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.66 1uof s PHE 225 Cb -0.15 -1.95 -0.09 0.00 -0.57 0.00 0.00 43.02 40.26 1uof s PHE 225 CO 0.02 0.14 1.05 0.00 -0.10 0.00 0.00 175.22 176.33 1uof n GLY 227 N 1.17 3.16 0.26 0.00 0.00 -0.67 -4.03 105.19 105.08 1uof n GLY 227 Ca -0.01 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.88 1uof n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uof h ALA 228 N 0.81 1.53 -0.02 4.61 0.00 -0.40 -0.23 119.26 125.57 1uof h ALA 228 Ca -0.16 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1uof h ALA 228 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1uof h ALA 228 CO 0.25 0.14 -0.71 0.82 0.00 0.00 0.00 179.25 179.75 1uof h ILE 229 N 0.00 1.47 -0.40 0.00 1.08 -1.39 0.12 117.51 118.40 1uof h ILE 229 Ca -0.00 -2.33 0.01 0.00 -0.39 0.00 0.00 64.86 62.15 1uof h ILE 229 Cb 0.24 2.25 -0.02 0.00 -3.07 0.00 0.00 36.82 36.21 1uof h ILE 229 CO 0.01 0.67 0.25 0.00 -0.69 0.00 0.00 178.15 178.40 1uof h ALA 230 N 1.22 0.50 -0.25 1.87 0.00 -1.11 0.45 119.26 121.95 1uof h ALA 230 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uof h ALA 230 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1uof h ALA 230 CO 0.10 -0.07 0.13 1.15 0.00 0.00 0.00 179.25 180.57 1uof h THR 231 N 0.51 1.01 0.49 0.00 2.02 -1.28 -2.61 112.91 113.04 1uof h THR 231 Ca 0.15 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1uof h THR 231 Cb -0.03 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1uof h THR 231 CO -0.05 0.05 -0.23 0.25 0.37 0.00 0.00 175.52 175.91 1uof h LEU 232 N 0.28 -0.55 -1.26 2.58 5.85 -0.47 0.73 115.31 122.46 1uof h LEU 232 Ca 0.10 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1uof h LEU 232 Cb 0.01 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1uof h LEU 232 CO -0.06 -0.31 -0.14 1.62 -0.34 0.00 0.00 178.44 179.21 1uof h VAL 233 N -0.77 1.21 -0.31 1.05 3.04 -0.92 -2.29 116.25 117.25 1uof h VAL 233 Ca -0.07 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1uof h VAL 233 Cb 0.55 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1uof h VAL 233 CO 0.11 0.29 0.00 0.35 -1.01 0.00 0.00 177.57 177.31 1uof n THR 234 N -4.23 0.41 -2.80 3.17 -2.24 -0.99 -4.89 114.28 102.71 1uof n THR 234 Ca -0.00 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 1uof n THR 234 Cb 0.30 0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.82 1uof n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uof n GLY 235 N 1.08 -0.27 0.79 3.38 0.00 -0.86 -3.37 105.19 105.94 1uof n GLY 235 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1uof n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uof n GLY 236 N -1.33 0.80 0.13 -0.02 0.00 0.23 -4.89 105.19 100.10 1uof n GLY 236 Ca -0.10 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1uof n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uof n GLN 237 N -2.40 0.75 -4.13 1.61 6.02 -1.22 -4.75 117.38 113.27 1uof n GLN 237 Ca 0.00 -0.26 -0.23 0.00 -0.01 0.00 0.00 57.00 56.50 1uof n GLN 237 Cb 0.00 -1.49 -0.17 0.00 1.02 0.00 0.00 30.24 29.60 1uof n GLN 237 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uof s VAL 238 N -2.43 0.78 0.24 5.09 1.01 -1.26 -3.10 120.40 120.73 1uof s VAL 238 Ca 0.30 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1uof s VAL 238 Cb 0.20 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 1uof s VAL 238 CO 0.46 0.30 1.20 -0.75 0.00 0.00 0.00 175.10 176.32 1uof s LYS 239 N 1.24 4.50 -0.56 2.72 2.20 -0.08 -3.81 119.74 125.94 1uof s LYS 239 Ca -0.05 1.94 -0.09 0.00 -0.36 0.00 0.00 55.97 57.41 1uof s LYS 239 Cb -0.14 -3.19 0.14 0.00 -1.51 0.00 0.00 37.83 33.14 1uof s LYS 239 CO -0.02 -0.04 0.44 0.00 -0.36 0.00 0.00 175.35 175.37 1uof s ALA 240 N -0.55 3.56 0.38 3.13 0.00 -1.26 -4.21 121.76 122.81 1uof s ALA 240 Ca 0.50 -2.81 -0.24 0.00 0.00 0.00 0.00 51.96 49.41 1uof s ALA 240 Cb -0.34 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1uof s ALA 240 CO 0.41 -2.01 0.99 -1.25 0.00 0.00 0.00 175.76 173.90 1uof s PRO 241 N 0.90 4.31 0.39 0.00 0.04 -1.26 -4.89 135.00 134.50 1uof s PRO 241 Ca 0.10 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1uof s PRO 241 Cb -0.23 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 1uof s PRO 241 CO -0.02 0.02 1.08 1.03 0.04 0.00 0.00 177.00 179.15 1uof s ARG 242 N -2.53 4.16 0.16 4.56 0.52 -1.26 -4.55 118.95 120.01 1uof s ARG 242 Ca 0.56 1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 57.24 1uof s ARG 242 Cb -0.18 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.70 1uof s ARG 242 CO 0.22 -0.17 0.43 -3.38 0.02 0.00 0.00 175.30 172.42 1uof s HIS 243 N -1.56 -0.04 0.33 -0.53 -3.43 -0.25 -1.22 115.29 108.59 1uof s HIS 243 Ca 0.57 -0.30 -0.15 0.00 -0.80 0.00 0.00 55.06 54.38 1uof s HIS 243 Cb -0.25 0.25 0.03 0.00 -1.43 0.00 0.00 32.58 31.18 1uof s HIS 243 CO 0.31 -0.80 0.69 -3.38 -2.00 0.00 0.00 174.74 169.56 1uof s HIS 244 N -3.87 0.18 -0.24 0.38 -3.43 -0.47 -1.40 115.29 106.45 1uof s HIS 244 Ca 0.08 -0.69 -0.01 0.00 -0.80 0.00 0.00 55.06 53.64 1uof s HIS 244 Cb 0.01 0.59 0.02 0.00 -1.43 0.00 0.00 32.58 31.78 1uof s HIS 244 CO -0.06 -1.34 -0.08 0.14 -2.00 0.00 0.00 174.74 171.41 1uof s VAL 245 N -3.13 2.80 0.58 -5.38 -7.23 -0.82 -1.98 120.40 105.23 1uof s VAL 245 Ca 0.17 -0.97 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1uof s VAL 245 Cb -0.04 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1uof s VAL 245 CO 0.11 0.26 0.93 0.00 -0.31 0.00 0.00 175.10 176.09 1uof s ALA 246 N 1.33 3.22 0.17 1.32 0.00 0.44 -3.10 121.76 125.13 1uof s ALA 246 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 1uof s ALA 246 Cb -0.16 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1uof s ALA 246 CO -0.05 -0.65 0.55 0.00 0.00 0.00 0.00 175.76 175.60 1uof s ALA 247 N -3.02 3.58 0.00 0.00 0.00 -1.26 -4.67 121.76 116.39 1uof s ALA 247 Ca 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1uof s ALA 247 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1uof s ALA 247 CO 0.49 0.47 0.00 -0.35 0.00 0.00 0.00 175.76 176.37 1uof n PRO 248 N 0.56 0.00 0.00 0.00 -0.04 -1.26 -5.06 135.00 129.21 1uof n PRO 248 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1uof n PRO 248 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1uof n PRO 248 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1uof n ARG 258 N 0.00 0.00 -3.94 0.54 -4.01 -1.26 -5.20 116.66 102.80 1uof n ARG 258 Ca 0.00 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.71 1uof n ARG 258 Cb 0.00 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.31 1uof n ARG 258 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1uof s THR 259 N -2.36 0.09 0.01 8.89 -4.23 -1.26 -0.80 115.64 115.98 1uof s THR 259 Ca 0.00 -0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1uof s THR 259 Cb 0.00 -0.28 -0.00 0.00 1.34 0.00 0.00 72.50 73.55 1uof s THR 259 CO 0.00 -0.41 0.11 -0.94 -0.54 0.00 0.00 174.62 172.84 1uof s SER 260 N -1.26 0.06 -0.16 3.99 1.04 -0.78 -2.79 113.70 113.80 1uof s SER 260 Ca -0.14 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 1uof s SER 260 Cb -0.08 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1uof s SER 260 CO -0.00 -0.37 -0.08 -0.55 0.98 0.00 0.00 173.24 173.22 1uof s SER 261 N -1.45 2.85 -0.12 7.02 0.15 -0.58 -1.00 113.70 120.57 1uof s SER 261 Ca -0.14 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 55.88 1uof s SER 261 Cb -0.08 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.23 1uof s SER 261 CO 0.01 -0.15 -0.16 -0.69 1.20 0.00 0.00 173.24 173.46 1uof s VAL 262 N 1.56 1.58 -0.31 4.45 1.01 -0.08 -0.94 120.40 127.67 1uof s VAL 262 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1uof s VAL 262 Cb -0.15 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.84 1uof s VAL 262 CO -0.08 0.46 0.01 0.12 0.00 0.00 0.00 175.10 175.60 1uof s PHE 263 N 1.12 3.30 -0.33 5.22 2.19 0.14 -0.86 117.98 128.75 1uof s PHE 263 Ca -0.03 -1.96 -0.21 0.00 0.33 0.00 0.00 56.93 55.06 1uof s PHE 263 Cb -0.14 -2.19 -0.00 0.00 -1.31 0.00 0.00 43.02 39.37 1uof s PHE 263 CO -0.04 -0.82 0.68 -0.06 1.83 0.00 0.00 175.22 176.80 1uof s PHE 264 N 1.23 3.18 -0.55 10.12 0.40 -0.16 -0.71 117.98 131.50 1uof s PHE 264 Ca -0.04 0.56 -0.22 0.00 -0.60 0.00 0.00 56.93 56.63 1uof s PHE 264 Cb -0.20 -3.12 0.06 0.00 0.51 0.00 0.00 43.02 40.27 1uof s PHE 264 CO -0.02 -0.56 0.80 -1.17 0.70 0.00 0.00 175.22 174.97 1uof s LEU 265 N 2.76 4.57 -0.08 -0.37 2.96 -0.43 -1.67 118.68 126.42 1uof s LEU 265 Ca 0.27 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1uof s LEU 265 Cb -0.14 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1uof s LEU 265 CO 0.13 -1.11 -0.09 -0.13 -1.32 0.00 0.00 176.35 173.83 1uof s ARG 266 N 3.35 2.85 0.80 1.98 0.52 -1.25 -0.74 118.95 126.46 1uof s ARG 266 Ca 0.22 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 1uof s ARG 266 Cb -0.16 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 32.80 1uof s ARG 266 CO 0.14 0.56 1.09 -1.25 0.02 0.00 0.00 175.30 175.87 1uof s PRO 267 N -0.55 2.02 0.67 3.54 0.04 -1.26 -1.21 135.00 138.25 1uof s PRO 267 Ca 0.08 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 1uof s PRO 267 Cb -0.12 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1uof s PRO 267 CO 0.02 -1.79 1.17 -0.80 0.04 0.00 0.00 177.00 175.64 1uof s ASN 268 N -3.37 4.74 0.43 6.66 0.01 -1.26 -4.48 114.94 117.67 1uof s ASN 268 Ca 0.62 2.24 0.21 0.00 -0.71 0.00 0.00 52.86 55.22 1uof s ASN 268 Cb -0.17 -2.58 1.16 0.00 0.41 0.00 0.00 41.25 40.07 1uof s ASN 268 CO 0.56 -1.89 1.80 0.00 -1.51 0.00 0.00 177.10 176.07 1uof h ALA 269 N 0.10 2.35 -0.30 0.60 0.00 -1.96 -2.26 119.26 117.79 1uof h ALA 269 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1uof h ALA 269 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1uof h ALA 269 CO 0.52 -0.71 0.00 -0.40 0.00 0.00 0.00 179.25 178.67 1uof n ASP 270 N -4.53 1.66 -4.69 0.00 5.75 -1.26 -1.81 116.55 111.67 1uof n ASP 270 Ca 0.23 -2.02 -0.42 0.00 -0.01 0.00 0.00 54.79 52.58 1uof n ASP 270 Cb 0.87 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 1uof n ASP 270 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1uof s PHE 271 N -1.60 2.21 -0.02 2.11 5.36 -0.85 -4.79 117.98 120.40 1uof s PHE 271 Ca 0.20 0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 1uof s PHE 271 Cb 0.11 -4.11 -0.03 0.00 -0.34 0.00 0.00 43.02 38.65 1uof s PHE 271 CO 0.13 -4.55 -0.14 0.99 -1.46 0.00 0.00 175.22 170.19 1uof s THR 272 N 2.76 3.11 0.09 0.12 2.01 -1.26 -0.35 115.64 122.12 1uof s THR 272 Ca 0.79 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1uof s THR 272 Cb -0.44 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1uof s THR 272 CO 0.35 0.51 0.15 0.72 -0.69 0.00 0.00 174.62 175.67 1uof s PHE 273 N -0.81 0.30 -0.11 4.92 -0.71 -0.35 -4.39 117.98 116.83 1uof s PHE 273 Ca 0.13 -0.74 -0.30 0.00 -1.04 0.00 0.00 56.93 54.98 1uof s PHE 273 Cb -0.11 -0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.53 1uof s PHE 273 CO 0.02 -0.53 1.25 0.45 -1.34 0.00 0.00 175.22 175.07 1uof s SER 274 N -2.90 6.98 0.07 1.98 0.15 -1.26 -1.51 113.70 117.21 1uof s SER 274 Ca 0.08 1.78 -0.28 0.00 0.70 0.00 0.00 55.95 58.23 1uof s SER 274 Cb 0.05 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.65 1uof s SER 274 CO -0.09 -0.69 1.65 0.58 1.20 0.00 0.00 173.24 175.90 1uof h VAL 275 N 5.27 0.69 -0.85 4.45 2.07 -1.19 -1.61 116.25 125.08 1uof h VAL 275 Ca -0.30 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1uof h VAL 275 Cb 1.13 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1uof h VAL 275 CO 0.93 0.01 0.55 -0.65 0.02 0.00 0.00 177.57 178.43 1uof h PRO 276 N -0.46 0.91 -0.66 1.57 0.11 -1.86 -2.15 132.00 129.45 1uof h PRO 276 Ca -0.04 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1uof h PRO 276 Cb 0.35 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1uof h PRO 276 CO 0.07 0.60 0.27 1.25 -0.21 0.00 0.00 178.00 179.99 1uof h LEU 277 N 0.93 0.91 -0.36 2.35 5.85 -1.88 -1.91 115.31 121.20 1uof h LEU 277 Ca 0.37 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1uof h LEU 277 Cb 0.23 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1uof h LEU 277 CO -0.13 0.83 0.08 0.00 -0.34 0.00 0.00 178.44 178.88 1uof h ALA 278 N 1.12 0.39 -0.46 1.25 0.00 -0.70 -1.93 119.26 118.93 1uof h ALA 278 Ca 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1uof h ALA 278 Cb 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1uof h ALA 278 CO -0.02 -0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.09 1uof h ARG 279 N 0.21 0.65 0.00 0.00 3.08 -1.09 -2.22 114.38 115.02 1uof h ARG 279 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1uof h ARG 279 Cb 0.18 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1uof h ARG 279 CO -0.21 0.54 -0.04 0.93 -1.07 0.00 0.00 179.97 180.11 1uof h GLU 280 N 0.65 0.00 -0.44 0.04 5.08 -0.55 -2.87 114.58 116.49 1uof h GLU 280 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1uof h GLU 280 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1uof h GLU 280 CO -0.02 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1uof n GLY 282 N 1.20 1.00 3.66 0.00 0.00 -1.08 -4.96 105.19 105.00 1uof n GLY 282 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1uof n GLY 282 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uof s PHE 283 N -2.00 2.77 -1.46 1.61 0.08 -0.91 -4.91 117.98 113.17 1uof s PHE 283 Ca 0.00 0.94 -0.09 0.00 0.12 0.00 0.00 56.93 57.90 1uof s PHE 283 Cb 0.00 -3.56 0.03 0.00 -0.57 0.00 0.00 43.02 38.92 1uof s PHE 283 CO 0.00 -1.85 2.53 -3.47 -0.10 0.00 0.00 175.22 172.33 1uof n ASP 284 N 6.73 7.38 -4.78 1.36 2.03 -1.26 -4.07 116.55 123.93 1uof n ASP 284 Ca 0.14 -2.87 -0.37 0.00 0.52 0.00 0.00 54.79 52.21 1uof n ASP 284 Cb 0.45 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.30 1uof n ASP 284 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1uof s VAL 285 N 0.95 3.89 -0.73 5.18 -7.23 -1.26 -5.00 120.40 116.20 1uof s VAL 285 Ca 0.57 1.50 0.04 0.00 -1.81 0.00 0.00 61.98 62.28 1uof s VAL 285 Cb 0.17 -3.80 0.29 0.00 0.56 0.00 0.00 36.38 33.59 1uof s VAL 285 CO -0.07 0.06 1.02 -1.54 -0.31 0.00 0.00 175.10 174.27 1uof n SER 286 N 0.20 4.72 -3.97 4.85 3.41 -1.26 -5.04 113.62 116.54 1uof n SER 286 Ca 0.04 -3.53 -0.28 0.00 -0.26 0.00 0.00 58.87 54.83 1uof n SER 286 Cb 0.50 -0.78 -0.17 0.00 -0.26 0.00 0.00 64.21 63.50 1uof n SER 286 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uof s LEU 287 N -2.98 1.44 0.50 1.04 1.43 -1.26 -5.10 118.68 113.74 1uof s LEU 287 Ca 0.41 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 1uof s LEU 287 Cb 0.17 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.33 1uof s LEU 287 CO -0.04 -0.07 1.05 -0.62 0.23 0.00 0.00 176.35 176.89 1uof s ASP 288 N 1.49 6.27 0.24 2.29 2.15 -1.26 -4.91 116.67 122.95 1uof s ASP 288 Ca 0.03 1.94 0.00 0.00 0.43 0.00 0.00 52.55 54.95 1uof s ASP 288 Cb -0.13 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1uof s ASP 288 CO -0.08 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 1uof n GLY 289 N -0.26 -1.93 0.08 2.66 0.00 -1.26 -4.79 105.19 99.69 1uof n GLY 289 Ca 0.09 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 1uof n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uof n GLU 290 N -1.79 0.75 -4.38 1.61 -0.58 -1.26 -4.68 120.64 110.32 1uof n GLU 290 Ca 0.00 -0.06 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 1uof n GLU 290 Cb 0.17 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.42 1uof n GLU 290 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1uof s THR 291 N -2.72 2.11 0.19 2.62 -4.23 -1.26 -0.71 115.64 111.64 1uof s THR 291 Ca -0.09 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1uof s THR 291 Cb 0.08 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1uof s THR 291 CO 0.82 -0.19 0.40 0.00 -0.54 0.00 0.00 174.62 175.11 1uof s ALA 292 N -1.80 -0.35 0.34 3.99 0.00 -0.57 -4.82 121.76 118.55 1uof s ALA 292 Ca 0.18 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1uof s ALA 292 Cb -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1uof s ALA 292 CO 0.08 -0.74 0.31 0.95 0.00 0.00 0.00 175.76 176.36 1uof s THR 293 N -3.95 3.49 0.22 0.00 -4.23 -1.26 -1.21 115.64 108.71 1uof s THR 293 Ca 0.16 -1.34 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 1uof s THR 293 Cb 0.01 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.84 1uof s THR 293 CO 0.01 -0.16 1.80 0.15 -0.54 0.00 0.00 174.62 175.88 1uof h PHE 294 N 1.21 0.70 -0.55 3.99 3.57 -0.56 -1.10 116.94 124.20 1uof h PHE 294 Ca -0.44 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1uof h PHE 294 Cb 1.25 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1uof h PHE 294 CO 0.52 0.29 0.30 0.37 -2.23 0.00 0.00 178.31 177.56 1uof h GLN 295 N 0.67 0.57 -1.00 1.11 4.15 -1.60 -0.01 115.11 119.01 1uof h GLN 295 Ca 0.34 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.83 1uof h GLN 295 Cb 0.31 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 1uof h GLN 295 CO -0.24 0.38 0.63 -0.44 -1.93 0.00 0.00 178.83 177.23 1uof h ASP 296 N 0.59 0.95 0.05 -0.69 3.32 -1.51 -0.05 116.42 119.07 1uof h ASP 296 Ca 0.23 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1uof h ASP 296 Cb 0.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1uof h ASP 296 CO -0.14 0.54 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.65 1uof h TRP 297 N 1.04 -0.06 0.00 4.55 7.01 -0.55 -3.39 115.95 124.56 1uof h TRP 297 Ca 0.48 -0.00 -0.25 0.00 2.11 0.00 0.00 58.89 61.22 1uof h TRP 297 Cb 0.39 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 1uof h TRP 297 CO -0.01 0.52 -1.62 -0.89 -2.79 0.00 0.00 178.44 173.66 1uof n ILE 298 N -4.75 1.48 0.00 2.65 2.08 -0.09 -5.05 119.36 115.67 1uof n ILE 298 Ca -0.07 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.48 1uof n ILE 298 Cb 0.29 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 38.24 1uof n ILE 298 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uof n GLY 299 N 1.50 -1.57 0.46 7.39 0.00 -0.03 -4.71 105.19 108.23 1uof n GLY 299 Ca -0.15 -2.06 0.14 0.00 0.00 0.00 0.00 46.02 43.95 1uof n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uof n GLY 300 N 0.00 -0.06 3.15 -0.02 0.00 -1.26 -4.55 105.19 102.45 1uof n GLY 300 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1uof n GLY 300 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uof s ASN 301 N -2.08 2.26 0.36 1.61 2.47 -1.26 -5.12 114.94 113.17 1uof s ASN 301 Ca 0.35 -0.37 -0.27 0.00 0.42 0.00 0.00 52.86 52.99 1uof s ASN 301 Cb 0.21 -0.60 -0.12 0.00 -1.45 0.00 0.00 41.25 39.29 1uof s ASN 301 CO 0.36 0.17 1.27 -1.22 -3.72 0.00 0.00 177.10 173.96 1uof n TYR 302 N 3.08 2.20 -4.52 0.43 4.01 -1.26 -5.00 117.16 116.10 1uof n TYR 302 Ca -0.18 0.55 -0.31 0.00 -0.16 0.00 0.00 57.90 57.80 1uof n TYR 302 Cb 0.53 -2.40 -0.17 0.00 -0.31 0.00 0.00 39.34 36.99 1uof n TYR 302 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uof s VAL 303 N -1.12 1.81 -0.12 -0.72 1.01 -1.26 -5.05 120.40 114.95 1uof s VAL 303 Ca 0.57 -0.82 0.20 0.00 0.00 0.00 0.00 61.98 61.92 1uof s VAL 303 Cb -0.56 -1.62 -0.23 0.00 0.00 0.00 0.00 36.38 33.97 1uof s VAL 303 CO 0.61 0.50 0.54 0.59 0.00 0.00 0.00 175.10 177.34 1uof n ASN 304 N 4.19 0.29 -4.08 3.32 3.02 -1.26 -4.72 115.26 116.03 1uof n ASN 304 Ca -0.19 0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.39 1uof n ASN 304 Cb 0.51 1.19 -0.09 0.00 -0.61 0.00 0.00 39.78 40.78 1uof n ASN 304 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1uof s ILE 305 N -3.15 0.16 -0.07 2.41 -4.36 -1.26 -1.16 121.20 113.76 1uof s ILE 305 Ca -0.06 -1.75 -0.07 0.00 -0.26 0.00 0.00 60.65 58.51 1uof s ILE 305 Cb 0.11 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 42.13 1uof s ILE 305 CO 0.86 -0.72 0.20 -0.60 0.24 0.00 0.00 174.94 174.92 1uof s ARG 306 N -3.96 0.26 0.19 0.37 3.52 -0.15 -4.86 118.95 114.31 1uof s ARG 306 Ca 0.14 0.25 -0.15 0.00 -0.13 0.00 0.00 55.73 55.84 1uof s ARG 306 Cb 0.07 0.12 -0.07 0.00 -1.56 0.00 0.00 34.95 33.51 1uof s ARG 306 CO -0.05 -0.03 0.60 1.03 -0.81 0.00 0.00 175.30 176.03 1uof s ARG 307 N 0.03 4.01 0.42 5.12 0.52 -1.26 -0.97 118.95 126.82 1uof s ARG 307 Ca -0.01 0.55 0.08 0.00 -0.52 0.00 0.00 55.73 55.83 1uof s ARG 307 Cb -0.02 -2.84 0.90 0.00 0.52 0.00 0.00 34.95 33.50 1uof s ARG 307 CO 0.00 0.42 2.05 1.79 0.02 0.00 0.00 175.30 179.58 1uof h THR 308 N 2.62 1.10 -0.31 0.02 1.35 -1.98 -3.45 112.91 112.26 1uof h THR 308 Ca -0.48 -0.25 -0.74 0.00 -0.55 0.00 0.00 66.41 64.39 1uof h THR 308 Cb 1.19 0.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 1uof h THR 308 CO 0.66 0.11 1.35 -1.54 -0.25 0.00 0.00 175.52 175.85 1uof n SER 309 N -4.45 1.13 0.00 5.36 3.41 -1.26 -5.23 113.62 112.58 1uof n SER 309 Ca 0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1uof n SER 309 Cb 0.09 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1uof n SER 309 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17