#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brw s ARG 2 N 0.00 2.30 0.23 2.12 0.52 -1.26 -5.03 118.95 117.83 1brw s ARG 2 Ca 0.00 -0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 54.32 1brw s ARG 2 Cb 0.00 -1.97 0.27 0.00 0.52 0.00 0.00 34.95 33.77 1brw s ARG 2 CO 0.00 0.35 1.86 1.98 0.02 0.00 0.00 175.30 179.51 1brw h MET 3 N 6.08 0.97 -0.94 3.54 1.85 -2.00 -2.56 114.93 121.88 1brw h MET 3 Ca -0.33 -0.06 0.08 0.00 -0.61 0.00 0.00 59.70 58.79 1brw h MET 3 Cb 1.17 -0.22 -0.07 0.00 0.43 0.00 0.00 31.60 32.91 1brw h MET 3 CO 0.47 0.64 0.59 -0.39 -0.40 0.00 0.00 176.91 177.82 1brw h VAL 4 N 1.00 1.00 -0.08 -5.77 -1.51 -1.97 -0.53 116.25 108.40 1brw h VAL 4 Ca 0.34 -0.35 -0.06 0.00 -1.23 0.00 0.00 66.70 65.40 1brw h VAL 4 Cb 0.06 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.11 1brw h VAL 4 CO -0.13 0.19 -0.23 0.44 -1.23 0.00 0.00 177.57 176.60 1brw h ASP 5 N 1.02 0.12 0.38 4.19 3.32 -1.89 -1.38 116.42 122.18 1brw h ASP 5 Ca 0.43 -0.03 -0.27 0.00 0.02 0.00 0.00 57.03 57.18 1brw h ASP 5 Cb 0.28 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1brw h ASP 5 CO -0.21 0.36 -1.18 -0.07 -1.72 0.00 0.00 179.24 176.42 1brw h LEU 6 N 0.12 0.61 -0.58 1.55 3.38 -1.06 -2.10 115.31 117.24 1brw h LEU 6 Ca 0.02 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1brw h LEU 6 Cb 0.48 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1brw h LEU 6 CO 0.03 1.42 0.32 0.40 0.09 0.00 0.00 178.44 180.70 1brw h ILE 7 N 0.18 1.19 -0.82 1.22 2.04 -0.84 -2.29 117.51 118.19 1brw h ILE 7 Ca -0.14 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1brw h ILE 7 Cb 1.86 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1brw h ILE 7 CO 0.21 0.20 0.53 0.00 0.00 0.00 0.00 178.15 179.09 1brw h ALA 8 N 1.14 1.05 -0.48 1.87 0.00 -1.23 0.41 119.26 122.03 1brw h ALA 8 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1brw h ALA 8 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1brw h ALA 8 CO -0.03 0.39 0.29 0.87 0.00 0.00 0.00 179.25 180.77 1brw h LYS 9 N 1.06 0.55 -0.40 0.00 1.57 -0.94 -1.51 116.57 116.90 1brw h LYS 9 Ca 0.31 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 1brw h LYS 9 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1brw h LYS 9 CO -0.09 0.37 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.80 1brw h LYS 10 N 0.57 0.81 -0.66 3.15 1.63 -0.90 0.13 116.57 121.30 1brw h LYS 10 Ca 0.19 -0.33 0.07 0.00 -0.85 0.00 0.00 60.65 59.74 1brw h LYS 10 Cb 0.02 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.56 1brw h LYS 10 CO -0.09 0.95 0.35 -0.09 -3.45 0.00 0.00 179.45 177.12 1brw h ARG 11 N 0.62 0.61 -0.51 1.90 2.43 -0.66 -0.02 114.38 118.76 1brw h ARG 11 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1brw h ARG 11 Cb 0.68 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1brw h ARG 11 CO 0.05 0.41 0.00 -0.25 -1.51 0.00 0.00 179.97 178.66 1brw n ASP 12 N -4.83 0.83 -1.24 -3.80 8.00 -0.59 -4.88 116.55 110.04 1brw n ASP 12 Ca 0.09 -2.04 -0.12 0.00 0.71 0.00 0.00 54.79 53.43 1brw n ASP 12 Cb 0.20 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1brw n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1brw n GLY 13 N 0.32 0.29 3.93 0.44 0.00 -0.02 -5.03 105.19 105.12 1brw n GLY 13 Ca 0.02 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1brw n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brw s LYS 14 N -4.14 3.51 -0.08 1.61 1.02 0.45 -5.00 119.74 117.11 1brw s LYS 14 Ca 0.00 -0.32 -0.20 0.00 0.02 0.00 0.00 55.97 55.46 1brw s LYS 14 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1brw s LYS 14 CO 0.00 0.26 0.58 0.00 -0.92 0.00 0.00 175.35 175.27 1brw s ALA 15 N -2.12 3.43 0.28 5.17 0.00 -1.26 -4.30 121.76 122.96 1brw s ALA 15 Ca 0.40 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 1brw s ALA 15 Cb -0.10 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1brw s ALA 15 CO 0.32 -0.00 0.83 -0.51 0.00 0.00 0.00 175.76 176.41 1brw s LEU 16 N 0.52 4.30 0.59 0.00 1.43 -1.26 -5.04 118.68 119.22 1brw s LEU 16 Ca 0.31 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1brw s LEU 16 Cb -0.17 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 1brw s LEU 16 CO 0.14 -0.05 0.99 0.42 0.23 0.00 0.00 176.35 178.09 1brw s THR 17 N -1.63 4.71 0.25 5.49 -4.23 -1.26 -4.85 115.64 114.12 1brw s THR 17 Ca 0.48 0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 61.79 1brw s THR 17 Cb -0.17 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.05 1brw s THR 17 CO 0.21 -1.04 1.83 0.50 -0.54 0.00 0.00 174.62 175.58 1brw h LYS 18 N -0.07 0.88 -0.69 3.99 3.64 -1.97 -0.45 116.57 121.90 1brw h LYS 18 Ca -0.45 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1brw h LYS 18 Cb 1.19 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1brw h LYS 18 CO 0.62 0.58 0.25 0.93 -2.27 0.00 0.00 179.45 179.56 1brw h GLU 19 N 0.91 1.02 -0.25 1.90 5.08 -1.99 0.46 114.58 121.71 1brw h GLU 19 Ca 0.41 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1brw h GLU 19 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1brw h GLU 19 CO -0.22 0.85 -0.14 0.93 -1.00 0.00 0.00 179.01 179.42 1brw h GLU 20 N 1.00 0.55 -0.78 2.33 5.08 -1.65 -1.58 114.58 119.53 1brw h GLU 20 Ca 0.23 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1brw h GLU 20 Cb 0.22 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1brw h GLU 20 CO -0.02 0.81 0.40 0.82 -1.00 0.00 0.00 179.01 180.03 1brw h ILE 21 N 0.27 1.24 -0.50 3.13 2.04 -0.79 -0.48 117.51 122.42 1brw h ILE 21 Ca 0.05 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1brw h ILE 21 Cb 0.66 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1brw h ILE 21 CO 0.04 0.27 -0.09 -0.33 0.00 0.00 0.00 178.15 178.04 1brw h GLU 22 N 1.08 0.92 -0.76 2.37 5.08 -0.86 -1.70 114.58 120.71 1brw h GLU 22 Ca 0.27 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1brw h GLU 22 Cb 0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1brw h GLU 22 CO -0.04 0.97 0.36 2.35 -1.00 0.00 0.00 179.01 181.65 1brw h TRP 23 N 0.83 1.11 0.48 4.33 7.01 -0.74 -2.60 115.95 126.36 1brw h TRP 23 Ca 0.14 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1brw h TRP 23 Cb 0.62 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1brw h TRP 23 CO 0.04 0.81 -0.23 0.82 -2.79 0.00 0.00 178.44 177.09 1brw h ILE 24 N 1.08 0.49 -0.48 2.65 2.04 -0.73 -2.48 117.51 120.08 1brw h ILE 24 Ca 0.26 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1brw h ILE 24 Cb 0.13 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1brw h ILE 24 CO -0.03 0.05 0.20 0.58 0.00 0.00 0.00 178.15 178.94 1brw h VAL 25 N -0.82 0.89 -0.13 1.67 2.07 -1.31 -0.29 116.25 118.34 1brw h VAL 25 Ca -0.07 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1brw h VAL 25 Cb 0.57 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1brw h VAL 25 CO 0.11 0.07 -0.42 0.08 0.02 0.00 0.00 177.57 177.43 1brw h ARG 26 N 0.39 0.29 -0.21 1.57 0.11 -1.52 -1.68 114.38 113.32 1brw h ARG 26 Ca 0.22 -0.14 -0.14 0.00 0.10 0.00 0.00 59.98 60.02 1brw h ARG 26 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 1brw h ARG 26 CO -0.20 0.67 -0.44 0.78 0.10 0.00 0.00 179.97 180.88 1brw h GLY 27 N 1.21 0.57 0.94 0.08 0.00 -0.96 -1.16 103.07 103.76 1brw h GLY 27 Ca 0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 1brw h GLY 27 CO 0.07 0.53 -0.32 -1.82 0.00 0.00 0.00 176.54 175.00 1brw h TYR 28 N 0.43 0.79 -0.58 5.60 3.20 -0.85 -0.07 116.97 125.49 1brw h TYR 28 Ca 0.03 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 61.55 1brw h TYR 28 Cb 0.94 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1brw h TYR 28 CO 0.04 1.00 -0.02 1.15 -1.64 0.00 0.00 178.16 178.68 1brw h THR 29 N 0.35 1.27 -0.01 1.81 2.02 -1.23 -2.99 112.91 114.14 1brw h THR 29 Ca 0.03 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1brw h THR 29 Cb 0.90 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1brw h THR 29 CO 0.08 0.42 -0.04 -0.46 0.37 0.00 0.00 175.52 175.89 1brw n ASN 30 N -4.20 0.74 0.00 4.18 0.23 -0.45 -4.95 115.26 110.81 1brw n ASN 30 Ca 0.02 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.00 1brw n ASN 30 Cb 0.35 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1brw n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1brw n GLY 31 N 1.15 0.68 0.12 4.83 0.00 -0.89 -4.95 105.19 106.14 1brw n GLY 31 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1brw n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1brw h ASP 32 N 0.00 0.00 -3.63 1.61 5.19 -1.30 -3.40 116.42 114.89 1brw h ASP 32 Ca 0.00 -0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 1brw h ASP 32 Cb 0.00 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 39.17 1brw h ASP 32 CO 0.00 0.00 -0.63 -0.63 -3.12 0.00 0.00 179.24 174.86 1brw s ILE 33 N -3.12 3.04 0.82 0.35 1.01 -0.88 -4.98 121.20 117.44 1brw s ILE 33 Ca 0.10 -1.81 -0.13 0.00 0.00 0.00 0.00 60.65 58.81 1brw s ILE 33 Cb 0.11 -2.96 0.09 0.00 0.01 0.00 0.00 42.46 39.71 1brw s ILE 33 CO 0.61 -0.44 1.20 -2.16 0.00 0.00 0.00 174.94 174.15 1brw s PRO 34 N 1.16 1.57 0.33 2.79 0.04 -1.26 -4.52 135.00 135.11 1brw s PRO 34 Ca 0.03 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1brw s PRO 34 Cb -0.21 -1.77 0.67 0.00 0.04 0.00 0.00 34.50 33.23 1brw s PRO 34 CO -0.03 -2.26 1.90 -0.44 0.04 0.00 0.00 177.00 176.21 1brw h ASP 35 N -1.00 0.78 0.12 6.66 5.19 -1.96 -2.31 116.42 123.89 1brw h ASP 35 Ca -0.46 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1brw h ASP 35 Cb 1.29 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1brw h ASP 35 CO 0.46 0.46 -0.02 0.10 -3.12 0.00 0.00 179.24 177.11 1brw h TYR 36 N 0.86 0.00 0.02 4.55 -0.00 -1.99 0.21 116.97 120.62 1brw h TYR 36 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.84 1brw h TYR 36 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.11 1brw h TYR 36 CO -0.00 0.02 -1.71 1.96 -0.00 0.00 0.00 178.16 178.43 1brw h GLN 37 N 0.00 0.04 -0.09 0.10 4.20 -1.79 -3.24 115.11 114.33 1brw h GLN 37 Ca -0.00 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1brw h GLN 37 Cb 0.09 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1brw h GLN 37 CO 0.00 0.63 -0.75 1.98 -0.67 0.00 0.00 178.83 180.02 1brw h MET 38 N 0.01 0.49 -0.56 1.46 4.05 -0.99 -2.40 114.93 116.99 1brw h MET 38 Ca -0.29 -0.41 -0.11 0.00 -0.28 0.00 0.00 59.70 58.61 1brw h MET 38 Cb 2.01 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.87 1brw h MET 38 CO 0.09 1.04 -0.09 0.66 0.23 0.00 0.00 176.91 178.84 1brw h SER 39 N 0.33 1.05 -0.40 1.39 4.64 -0.78 -0.71 113.55 119.07 1brw h SER 39 Ca -0.04 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1brw h SER 39 Cb 1.34 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1brw h SER 39 CO 0.14 1.15 0.15 0.00 -0.87 0.00 0.00 176.83 177.39 1brw h ALA 40 N 0.95 0.53 -0.62 5.18 0.00 -1.57 -1.43 119.26 122.29 1brw h ALA 40 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1brw h ALA 40 Cb 0.66 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1brw h ALA 40 CO 0.05 0.15 0.32 1.25 0.00 0.00 0.00 179.25 181.02 1brw h LEU 41 N 0.51 0.79 -1.20 0.00 5.85 -1.31 -0.89 115.31 119.07 1brw h LEU 41 Ca 0.13 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1brw h LEU 41 Cb 0.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1brw h LEU 41 CO -0.01 0.68 0.52 0.00 -0.34 0.00 0.00 178.44 179.28 1brw h ALA 42 N 1.15 1.41 -0.18 1.25 0.00 -0.85 -0.16 119.26 121.88 1brw h ALA 42 Ca 0.22 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1brw h ALA 42 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1brw h ALA 42 CO -0.03 0.54 -0.69 1.98 0.00 0.00 0.00 179.25 181.05 1brw h MET 43 N 1.08 0.71 -0.79 0.00 1.85 -0.82 -1.78 114.93 115.18 1brw h MET 43 Ca 0.29 -0.53 -0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1brw h MET 43 Cb -0.11 0.09 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 1brw h MET 43 CO -0.06 1.15 0.48 0.00 -0.40 0.00 0.00 176.91 178.08 1brw h ALA 44 N 0.71 1.37 -0.33 0.39 0.00 -0.50 -1.93 119.26 118.97 1brw h ALA 44 Ca -0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1brw h ALA 44 Cb 1.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1brw h ALA 44 CO 0.14 0.55 -0.35 0.82 0.00 0.00 0.00 179.25 180.41 1brw h ILE 45 N 1.08 1.28 -0.69 0.00 2.04 -0.92 0.18 117.51 120.48 1brw h ILE 45 Ca 0.28 -1.51 0.08 0.00 1.00 0.00 0.00 64.86 64.71 1brw h ILE 45 Cb -0.06 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1brw h ILE 45 CO -0.05 0.49 0.46 0.22 0.00 0.00 0.00 178.15 179.26 1brw h TYR 46 N 0.62 0.66 0.03 1.37 5.03 -0.55 0.19 116.97 124.33 1brw h TYR 46 Ca 0.06 0.02 -0.34 0.00 2.58 0.00 0.00 58.73 61.05 1brw h TYR 46 Cb 0.89 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 38.90 1brw h TYR 46 CO 0.05 0.34 -2.06 1.19 -1.32 0.00 0.00 178.16 176.35 1brw n PHE 47 N -4.48 0.67 -0.03 -3.82 3.72 -0.97 -4.59 117.46 107.96 1brw n PHE 47 Ca 0.11 0.20 0.01 0.00 -0.05 0.00 0.00 57.45 57.72 1brw n PHE 47 Cb 0.28 -1.11 -0.14 0.00 -0.94 0.00 0.00 39.48 37.57 1brw n PHE 47 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1brw n ARG 48 N -3.11 0.66 0.00 -1.08 5.12 0.60 -5.11 116.66 113.74 1brw n ARG 48 Ca -0.29 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 1brw n ARG 48 Cb 1.07 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 1brw n ARG 48 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1brw n GLY 49 N 1.46 -1.62 3.19 -0.13 0.00 0.68 -5.00 105.19 103.76 1brw n GLY 49 Ca -0.15 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1brw n GLY 49 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1brw s MET 50 N 0.00 0.72 0.79 1.61 -1.94 -1.26 -4.87 119.30 114.34 1brw s MET 50 Ca 0.00 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 1brw s MET 50 Cb 0.00 0.30 0.06 0.00 2.01 0.00 0.00 34.83 37.20 1brw s MET 50 CO 0.00 -0.21 1.12 0.95 -0.01 0.00 0.00 175.02 176.87 1brw s THR 51 N -2.74 2.78 0.37 2.05 -4.23 -1.26 -4.86 115.64 107.75 1brw s THR 51 Ca -0.04 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1brw s THR 51 Cb -0.00 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.94 1brw s THR 51 CO -0.05 -0.33 2.01 -0.08 -0.54 0.00 0.00 174.62 175.63 1brw h GLU 52 N -0.99 0.68 -0.40 3.99 4.81 -2.00 -1.63 114.58 119.03 1brw h GLU 52 Ca -0.47 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 1brw h GLU 52 Cb 1.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1brw h GLU 52 CO 0.63 0.48 -0.34 1.49 -0.73 0.00 0.00 179.01 180.54 1brw h GLU 53 N 0.69 0.93 -0.49 1.92 4.81 -2.00 -2.13 114.58 118.32 1brw h GLU 53 Ca 0.18 -0.46 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1brw h GLU 53 Cb -0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1brw h GLU 53 CO -0.03 1.12 0.12 0.93 -0.73 0.00 0.00 179.01 180.41 1brw h GLU 54 N 0.77 0.79 -0.38 1.92 5.08 -1.76 -2.49 114.58 118.51 1brw h GLU 54 Ca 0.07 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1brw h GLU 54 Cb 0.93 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1brw h GLU 54 CO 0.09 0.77 -0.02 1.15 -1.00 0.00 0.00 179.01 179.99 1brw h THR 55 N 0.67 1.22 -0.20 1.13 2.02 -1.20 -1.48 112.91 115.07 1brw h THR 55 Ca 0.15 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1brw h THR 55 Cb 0.34 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1brw h THR 55 CO 0.00 0.31 0.04 0.00 0.37 0.00 0.00 175.52 176.25 1brw h ALA 56 N 1.40 0.26 -0.56 6.16 0.00 -1.24 -1.95 119.26 123.33 1brw h ALA 56 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1brw h ALA 56 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1brw h ALA 56 CO 0.02 -0.09 0.18 0.00 0.00 0.00 0.00 179.25 179.36 1brw h ALA 57 N 0.85 1.26 -0.61 0.00 0.00 -1.26 -1.60 119.26 117.90 1brw h ALA 57 Ca 0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1brw h ALA 57 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1brw h ALA 57 CO 0.00 0.53 0.05 1.25 0.00 0.00 0.00 179.25 181.08 1brw h LEU 58 N 0.82 0.98 -0.17 0.00 5.85 -1.12 -1.66 115.31 120.01 1brw h LEU 58 Ca 0.19 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1brw h LEU 58 Cb 0.24 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1brw h LEU 58 CO -0.01 1.01 0.03 0.74 -0.34 0.00 0.00 178.44 179.87 1brw h THR 59 N 0.95 1.22 -0.52 1.05 2.02 -0.87 -2.61 112.91 114.16 1brw h THR 59 Ca 0.18 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 1brw h THR 59 Cb 0.48 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1brw h THR 59 CO 0.02 0.22 0.04 0.24 0.37 0.00 0.00 175.52 176.41 1brw h MET 60 N 0.07 0.84 -0.21 6.66 2.86 -1.22 -1.75 114.93 122.18 1brw h MET 60 Ca 0.05 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1brw h MET 60 Cb 0.31 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1brw h MET 60 CO 0.00 0.82 -0.08 0.00 1.06 0.00 0.00 176.91 178.71 1brw h ALA 61 N 1.25 1.48 0.00 6.32 0.00 -1.25 -1.22 119.26 125.84 1brw h ALA 61 Ca 0.16 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1brw h ALA 61 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1brw h ALA 61 CO 0.01 0.37 -0.86 0.52 0.00 0.00 0.00 179.25 179.29 1brw h MET 62 N 0.32 0.06 -0.50 0.00 2.86 -1.03 -3.09 114.93 113.54 1brw h MET 62 Ca 0.07 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1brw h MET 62 Cb 0.34 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1brw h MET 62 CO 0.02 0.88 -0.18 0.28 1.06 0.00 0.00 176.91 178.97 1brw h VAL 63 N 0.03 1.27 0.00 -2.22 2.07 -0.72 -2.98 116.25 113.69 1brw h VAL 63 Ca -0.02 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1brw h VAL 63 Cb 1.51 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1brw h VAL 63 CO 0.12 0.47 -0.10 1.56 0.02 0.00 0.00 177.57 179.63 1brw h GLN 64 N 0.86 0.00 0.00 1.57 4.20 -1.22 -2.70 115.11 117.82 1brw h GLN 64 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1brw h GLN 64 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1brw h GLN 64 CO 0.06 0.10 0.00 0.66 -0.67 0.00 0.00 178.83 178.98 1brw h SER 65 N 0.00 0.00 -0.29 1.46 4.64 -1.44 -3.46 113.55 114.46 1brw h SER 65 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1brw h SER 65 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1brw h SER 65 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1brw n GLY 66 N -0.11 5.98 3.97 -0.77 0.00 -1.02 -4.47 105.19 108.76 1brw n GLY 66 Ca 0.01 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 1brw n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1brw s GLU 67 N 1.09 3.40 -0.14 1.61 2.02 -1.26 -4.87 118.70 120.56 1brw s GLU 67 Ca 0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 1brw s GLU 67 Cb 0.00 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 1brw s GLU 67 CO 0.00 0.30 -0.06 -1.64 0.02 0.00 0.00 175.26 173.88 1brw s MET 68 N -4.10 3.47 0.03 1.61 -1.94 -1.26 -4.59 119.30 112.53 1brw s MET 68 Ca 0.37 -0.56 -0.30 0.00 -1.71 0.00 0.00 55.69 53.49 1brw s MET 68 Cb -0.09 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1brw s MET 68 CO 0.31 0.30 1.03 -0.51 -0.01 0.00 0.00 175.02 176.14 1brw s LEU 69 N 0.18 4.38 -0.42 -0.03 1.43 -0.32 -5.00 118.68 118.90 1brw s LEU 69 Ca -0.03 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.67 1brw s LEU 69 Cb -0.14 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1brw s LEU 69 CO 0.03 -0.29 0.36 -0.62 0.23 0.00 0.00 176.35 176.07 1brw s ASP 70 N 0.91 6.14 -0.12 2.29 -1.08 -1.26 -4.22 116.67 119.33 1brw s ASP 70 Ca 0.53 -0.84 0.15 0.00 -0.52 0.00 0.00 52.55 51.87 1brw s ASP 70 Cb -0.23 -2.19 0.52 0.00 -1.46 0.00 0.00 42.92 39.56 1brw s ASP 70 CO 0.29 -0.52 1.43 0.18 0.52 0.00 0.00 175.17 177.07 1brw n LEU 71 N 5.34 3.89 0.24 -1.34 4.77 -1.26 -4.62 117.00 124.02 1brw n LEU 71 Ca -0.10 -2.61 0.16 0.00 -0.03 0.00 0.00 56.01 53.43 1brw n LEU 71 Cb 0.47 -0.47 0.85 0.00 -2.33 0.00 0.00 43.42 41.94 1brw n LEU 71 CO 0.43 0.71 1.13 0.77 -1.33 0.00 0.00 177.39 179.11 1brw h SER 72 N 2.43 0.00 -0.01 -1.43 4.64 -1.94 -0.71 113.55 116.54 1brw h SER 72 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1brw h SER 72 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1brw h SER 72 CO 0.18 0.00 0.07 -1.28 -0.87 0.00 0.00 176.83 174.93 1brw h SER 73 N 0.00 0.00 -3.79 4.97 0.87 -2.02 -3.37 113.55 110.21 1brw h SER 73 Ca 0.05 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.97 1brw h SER 73 Cb 0.26 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.06 1brw h SER 73 CO -0.00 0.00 -0.41 -0.63 -0.53 0.00 0.00 176.83 175.26 1brw s ILE 74 N -4.20 5.26 0.05 2.23 1.01 -0.27 -5.05 121.20 120.23 1brw s ILE 74 Ca -0.05 0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.68 1brw s ILE 74 Cb 0.12 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 1brw s ILE 74 CO 0.40 0.23 0.79 -0.13 0.00 0.00 0.00 174.94 176.23 1brw s ARG 75 N 1.78 4.52 0.00 2.79 0.52 -1.26 -4.91 118.95 122.38 1brw s ARG 75 Ca 0.10 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 1brw s ARG 75 Cb -0.16 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1brw s ARG 75 CO 0.10 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1brw n GLY 76 N 2.37 0.62 3.66 -3.53 0.00 -1.26 -4.96 105.19 102.09 1brw n GLY 76 Ca -0.02 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 1brw n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1brw s VAL 77 N -1.03 4.68 -0.08 1.61 1.01 -1.26 -5.01 120.40 120.32 1brw s VAL 77 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.75 1brw s VAL 77 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1brw s VAL 77 CO 0.00 -0.20 0.45 -0.54 0.00 0.00 0.00 175.10 174.81 1brw s LYS 78 N 3.20 4.22 -0.08 2.72 1.02 -1.26 -4.34 119.74 125.22 1brw s LYS 78 Ca 0.43 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.86 1brw s LYS 78 Cb -0.15 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1brw s LYS 78 CO 0.07 0.32 -0.16 0.08 -0.92 0.00 0.00 175.35 174.74 1brw s VAL 79 N 0.10 2.84 0.27 3.17 1.01 -0.53 -0.87 120.40 126.39 1brw s VAL 79 Ca 0.25 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1brw s VAL 79 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1brw s VAL 79 CO 0.11 0.56 0.00 -0.62 0.00 0.00 0.00 175.10 175.15 1brw s ASP 80 N -0.16 4.58 -0.02 3.32 -1.08 0.54 -2.73 116.67 121.11 1brw s ASP 80 Ca -0.01 -0.63 -0.05 0.00 -0.52 0.00 0.00 52.55 51.33 1brw s ASP 80 Cb -0.14 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.47 1brw s ASP 80 CO 0.03 -0.00 0.11 -0.75 0.52 0.00 0.00 175.17 175.08 1brw s LYS 81 N -3.68 0.32 -0.24 4.34 2.36 -1.26 -1.54 119.74 120.04 1brw s LYS 81 Ca 0.32 -0.17 -0.15 0.00 -2.55 0.00 0.00 55.97 53.41 1brw s LYS 81 Cb -0.06 0.13 0.07 0.00 -1.05 0.00 0.00 37.83 36.92 1brw s LYS 81 CO 0.20 -0.06 0.60 -1.58 1.55 0.00 0.00 175.35 176.05 1brw s HIS 82 N -0.75 -0.86 0.06 4.03 2.46 -0.95 -4.89 115.29 114.39 1brw s HIS 82 Ca -0.08 1.80 -0.02 0.00 0.47 0.00 0.00 55.06 57.23 1brw s HIS 82 Cb -0.05 0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 32.81 1brw s HIS 82 CO 0.01 -0.43 0.24 0.45 -2.47 0.00 0.00 174.74 172.53 1brw s SER 83 N 1.30 6.39 0.18 9.88 0.15 -1.26 -0.67 113.70 129.66 1brw s SER 83 Ca -0.08 0.36 0.25 0.00 0.70 0.00 0.00 55.95 57.17 1brw s SER 83 Cb -0.06 -2.00 0.91 0.00 -1.71 0.00 0.00 66.02 63.16 1brw s SER 83 CO -0.14 0.17 1.75 0.35 1.20 0.00 0.00 173.24 176.57 1brw n THR 84 N 0.42 0.63 0.00 6.45 -2.24 -0.84 -4.94 114.28 113.76 1brw n THR 84 Ca -0.06 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1brw n THR 84 Cb 0.51 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1brw n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1brw n GLY 85 N 0.77 3.71 0.00 3.38 0.00 -1.26 -4.88 105.19 106.90 1brw n GLY 85 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1brw n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brw n GLY 86 N 0.16 3.27 3.11 -0.02 0.00 -1.26 -4.57 105.19 105.88 1brw n GLY 86 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1brw n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1brw s VAL 87 N -2.38 1.53 -1.34 1.61 1.01 -1.26 -2.74 120.40 116.83 1brw s VAL 87 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1brw s VAL 87 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1brw s VAL 87 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1brw n GLY 88 N 3.70 1.33 3.58 4.51 0.00 -1.26 -2.57 105.19 114.47 1brw n GLY 88 Ca -0.21 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1brw n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1brw s ASP 89 N -2.75 5.74 0.16 1.61 2.15 -1.26 -4.29 116.67 118.03 1brw s ASP 89 Ca 0.00 -1.93 0.26 0.00 0.43 0.00 0.00 52.55 51.31 1brw s ASP 89 Cb 0.00 -2.58 0.92 0.00 -0.30 0.00 0.00 42.92 40.96 1brw s ASP 89 CO 0.00 -2.33 1.79 0.41 -0.17 0.00 0.00 175.17 174.87 1brw n THR 90 N 7.26 0.51 -0.07 1.71 -1.04 -1.26 -4.57 114.28 116.82 1brw n THR 90 Ca 0.46 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 62.33 1brw n THR 90 Cb 0.46 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.29 1brw n THR 90 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1brw n THR 91 N -2.04 -0.11 -0.27 12.58 -1.04 -1.26 -1.56 114.28 120.57 1brw n THR 91 Ca 0.05 0.74 0.07 0.00 -2.04 0.00 0.00 64.05 62.87 1brw n THR 91 Cb 0.37 -0.95 0.21 0.00 -1.82 0.00 0.00 70.33 68.14 1brw n THR 91 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1brw h THR 92 N 0.00 0.65 -0.19 12.58 2.02 -1.98 0.14 112.91 126.14 1brw h THR 92 Ca 0.03 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1brw h THR 92 Cb 0.07 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1brw h THR 92 CO -0.15 0.09 0.17 -0.07 0.37 0.00 0.00 175.52 175.92 1brw h LEU 93 N 0.49 0.00 0.00 2.58 3.38 -1.63 -1.71 115.31 118.42 1brw h LEU 93 Ca 0.45 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.19 1brw h LEU 93 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1brw h LEU 93 CO -0.41 0.00 -1.55 0.52 0.09 0.00 0.00 178.44 177.09 1brw n VAL 94 N -4.14 1.51 -0.14 1.22 0.31 -0.37 -4.55 118.33 112.18 1brw n VAL 94 Ca 0.02 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.23 1brw n VAL 94 Cb 0.30 -2.11 0.04 0.00 -0.91 0.00 0.00 33.84 31.16 1brw n VAL 94 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1brw h LEU 95 N -1.00 -0.15 0.11 7.52 5.85 -0.74 -1.83 115.31 125.07 1brw h LEU 95 Ca -0.35 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1brw h LEU 95 Cb 1.22 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1brw h LEU 95 CO -0.21 -0.04 -0.27 1.23 -0.34 0.00 0.00 178.44 178.81 1brw h GLY 96 N 0.13 -1.15 1.77 3.75 0.00 -1.53 -2.00 103.07 104.04 1brw h GLY 96 Ca 0.22 0.56 0.00 0.00 0.00 0.00 0.00 47.33 48.11 1brw h GLY 96 CO -0.35 -0.36 0.15 -2.55 0.00 0.00 0.00 176.54 173.44 1brw h PRO 97 N -0.42 0.30 -0.20 4.80 0.11 -1.79 -2.70 132.00 132.11 1brw h PRO 97 Ca -0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1brw h PRO 97 Cb 0.40 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1brw h PRO 97 CO -0.12 0.20 0.02 1.25 -0.21 0.00 0.00 178.00 179.14 1brw h LEU 98 N 0.31 0.33 -0.22 2.35 5.85 -1.15 -2.46 115.31 120.32 1brw h LEU 98 Ca 0.09 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1brw h LEU 98 Cb -0.03 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1brw h LEU 98 CO -0.02 0.53 -0.24 -0.37 -0.34 0.00 0.00 178.44 178.00 1brw h VAL 99 N 0.13 0.42 0.00 1.05 -1.51 -1.28 -3.15 116.25 111.92 1brw h VAL 99 Ca 0.06 -1.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1brw h VAL 99 Cb 0.34 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1brw h VAL 99 CO 0.01 0.23 -0.08 0.00 -1.23 0.00 0.00 177.57 176.50 1brw h ALA 100 N 1.76 0.96 0.00 5.19 0.00 -1.48 -1.92 119.26 123.78 1brw h ALA 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1brw h ALA 100 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1brw h ALA 100 CO 0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1brw n SER 101 N -2.86 0.45 -0.56 0.00 3.41 -0.93 -2.55 113.62 110.58 1brw n SER 101 Ca 0.04 0.57 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 1brw n SER 101 Cb 0.51 -0.68 0.15 0.00 -0.26 0.00 0.00 64.21 63.92 1brw n SER 101 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1brw n VAL 102 N -1.95 1.24 0.00 -3.33 0.24 -1.19 -4.92 118.33 108.41 1brw n VAL 102 Ca 0.04 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 1brw n VAL 102 Cb 0.30 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1brw n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1brw n GLY 103 N 0.12 0.98 3.71 7.63 0.00 -1.06 -5.05 105.19 111.53 1brw n GLY 103 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1brw n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1brw s VAL 104 N -2.00 5.03 -0.61 1.61 1.01 -0.73 -5.00 120.40 119.72 1brw s VAL 104 Ca 0.00 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 1brw s VAL 104 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1brw s VAL 104 CO 0.00 0.23 1.31 -2.84 0.00 0.00 0.00 175.10 173.80 1brw s PRO 105 N 0.95 3.34 -0.47 2.72 0.02 -1.26 -4.10 135.00 136.19 1brw s PRO 105 Ca 0.37 0.23 -0.18 0.00 0.02 0.00 0.00 61.00 61.43 1brw s PRO 105 Cb -0.18 -4.10 0.05 0.00 0.02 0.00 0.00 34.50 30.29 1brw s PRO 105 CO 0.17 -1.91 0.56 0.08 -0.33 0.00 0.00 177.00 175.57 1brw s VAL 106 N 5.67 4.96 -0.63 3.83 1.01 0.15 -1.45 120.40 133.94 1brw s VAL 106 Ca 0.45 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1brw s VAL 106 Cb -0.09 -4.21 0.16 0.00 0.00 0.00 0.00 36.38 32.25 1brw s VAL 106 CO 0.23 -0.67 0.46 0.00 0.00 0.00 0.00 175.10 175.12 1brw s ALA 107 N 2.43 3.61 -0.06 5.51 0.00 -1.11 -1.89 121.76 130.25 1brw s ALA 107 Ca 0.14 -3.17 0.04 0.00 0.00 0.00 0.00 51.96 48.97 1brw s ALA 107 Cb -0.19 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1brw s ALA 107 CO 0.13 -2.09 -0.19 0.21 0.00 0.00 0.00 175.76 173.82 1brw s LYS 108 N 0.15 2.13 -0.05 0.00 2.20 -0.63 -4.50 119.74 119.03 1brw s LYS 108 Ca 0.16 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1brw s LYS 108 Cb -0.19 -1.76 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1brw s LYS 108 CO -0.04 0.20 -0.04 -1.64 -0.36 0.00 0.00 175.35 173.47 1brw s MET 109 N 0.22 2.79 0.34 4.03 -1.94 -1.26 -1.58 119.30 121.90 1brw s MET 109 Ca -0.09 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 1brw s MET 109 Cb -0.14 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.04 1brw s MET 109 CO 0.04 0.66 0.11 0.43 -0.01 0.00 0.00 175.02 176.25 1brw n SER 110 N 1.99 1.38 -4.17 3.03 7.64 -0.16 -4.92 113.62 118.41 1brw n SER 110 Ca -0.17 -2.75 -0.20 0.00 1.01 0.00 0.00 58.87 56.75 1brw n SER 110 Cb 0.53 0.77 -0.09 0.00 -1.01 0.00 0.00 64.21 64.41 1brw n SER 110 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1brw s GLY 111 N -3.04 2.11 0.41 0.23 0.00 -1.26 -2.34 107.32 103.42 1brw s GLY 111 Ca 0.15 -1.73 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 1brw s GLY 111 CO 0.11 -1.68 0.63 0.50 0.00 0.00 0.00 173.10 172.65 1brw s ARG 112 N -3.86 3.32 0.84 2.90 0.52 -1.26 -2.83 118.95 118.58 1brw s ARG 112 Ca 0.34 -0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 1brw s ARG 112 Cb 0.06 -2.58 0.09 0.00 0.52 0.00 0.00 34.95 33.04 1brw s ARG 112 CO 0.16 -0.07 1.15 0.20 0.02 0.00 0.00 175.30 176.76 1brw s GLY 113 N -4.12 1.59 -0.29 -3.53 0.00 -1.26 -4.62 107.32 95.09 1brw s GLY 113 Ca 0.44 -0.54 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 1brw s GLY 113 CO 0.38 -0.04 0.96 -2.27 0.00 0.00 0.00 173.10 172.13 1brw s LEU 114 N -5.74 -0.57 0.00 0.66 2.96 -0.82 -4.75 118.68 110.42 1brw s LEU 114 Ca 0.62 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1brw s LEU 114 Cb -0.13 1.74 0.00 0.00 0.50 0.00 0.00 46.19 48.30 1brw s LEU 114 CO 0.51 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 1brw n GLY 115 N 4.29 1.00 0.74 7.98 0.00 -0.27 -3.42 105.19 115.52 1brw n GLY 115 Ca -0.15 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1brw n GLY 115 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1brw n HIS 116 N 12.05 0.00 -4.43 1.61 1.44 -1.26 -4.56 115.22 120.07 1brw n HIS 116 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1brw n HIS 116 Cb 0.00 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 1brw n HIS 116 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1brw s THR 117 N -2.02 4.10 0.90 0.61 -4.23 -1.22 -4.52 115.64 109.26 1brw s THR 117 Ca 0.32 -0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 1brw s THR 117 Cb 0.20 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.46 1brw s THR 117 CO 0.32 0.58 1.26 -0.83 -0.54 0.00 0.00 174.62 175.41 1brw s GLY 118 N -0.60 1.71 -0.03 3.99 0.00 -1.11 -1.95 107.32 109.33 1brw s GLY 118 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1brw s GLY 118 CO 0.02 -0.34 -0.00 -0.32 0.00 0.00 0.00 173.10 172.46 1brw s GLY 119 N -4.76 0.24 0.26 0.20 0.00 -1.26 -4.33 107.32 97.66 1brw s GLY 119 Ca 0.69 0.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.54 1brw s GLY 119 CO 0.51 0.57 1.87 -0.84 0.00 0.00 0.00 173.10 175.22 1brw h THR 120 N 6.22 1.07 -0.57 0.90 2.02 -1.91 -2.11 112.91 118.53 1brw h THR 120 Ca -0.43 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 66.44 1brw h THR 120 Cb 1.13 -0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1brw h THR 120 CO 0.48 0.20 0.24 0.40 0.37 0.00 0.00 175.52 177.21 1brw h ILE 121 N 1.12 0.85 -0.67 3.11 1.08 -1.88 0.58 117.51 121.69 1brw h ILE 121 Ca 0.42 -0.15 -0.07 0.00 -0.39 0.00 0.00 64.86 64.67 1brw h ILE 121 Cb 0.18 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 1brw h ILE 121 CO -0.18 0.08 0.15 0.44 -0.69 0.00 0.00 178.15 177.95 1brw h ASP 122 N 0.45 1.02 -0.63 1.72 3.32 -1.64 -2.41 116.42 118.25 1brw h ASP 122 Ca 0.27 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1brw h ASP 122 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1brw h ASP 122 CO -0.24 0.99 0.05 0.11 -1.72 0.00 0.00 179.24 178.43 1brw h LYS 123 N 1.02 1.08 -0.51 3.56 1.57 -0.68 -2.97 116.57 119.64 1brw h LYS 123 Ca 0.21 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1brw h LYS 123 Cb 0.38 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1brw h LYS 123 CO 0.00 1.02 0.12 -0.07 -0.57 0.00 0.00 179.45 179.95 1brw h LEU 124 N 1.00 0.73 -0.48 2.94 3.38 -0.67 -2.67 115.31 119.54 1brw h LEU 124 Ca 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1brw h LEU 124 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1brw h LEU 124 CO 0.02 0.72 0.00 -0.62 0.09 0.00 0.00 178.44 178.66 1brw n GLU 125 N -4.28 0.09 0.21 1.13 1.02 -0.93 -1.76 120.64 116.12 1brw n GLU 125 Ca 0.04 0.42 0.15 0.00 -0.02 0.00 0.00 57.16 57.74 1brw n GLU 125 Cb 0.22 -1.70 0.54 0.00 -0.02 0.00 0.00 31.44 30.49 1brw n GLU 125 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1brw h SER 126 N 0.00 0.00 -3.37 1.62 4.64 -1.51 -3.41 113.55 111.51 1brw h SER 126 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1brw h SER 126 Cb 0.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.19 1brw h SER 126 CO 0.00 0.00 0.51 -0.69 -0.87 0.00 0.00 176.83 175.78 1brw s VAL 127 N -3.46 4.74 -0.47 0.95 1.01 -0.72 -4.51 120.40 117.94 1brw s VAL 127 Ca 0.04 1.38 -0.46 0.00 0.00 0.00 0.00 61.98 62.93 1brw s VAL 127 Cb 0.09 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 32.08 1brw s VAL 127 CO 0.52 -0.26 1.63 -2.65 0.00 0.00 0.00 175.10 174.34 1brw n PRO 128 N 6.30 0.15 -0.62 2.72 -0.02 -1.26 -1.99 135.00 140.28 1brw n PRO 128 Ca 0.06 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1brw n PRO 128 Cb 0.48 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1brw n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brw n GLY 129 N 4.11 1.67 3.72 -1.23 0.00 -1.26 -1.19 105.19 111.00 1brw n GLY 129 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1brw n GLY 129 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1brw s PHE 130 N -3.52 2.88 -0.19 1.61 2.19 -0.84 -4.05 117.98 116.06 1brw s PHE 130 Ca 0.00 0.41 -0.06 0.00 0.33 0.00 0.00 56.93 57.60 1brw s PHE 130 Cb 0.00 -4.07 -0.03 0.00 -1.31 0.00 0.00 43.02 37.61 1brw s PHE 130 CO 0.00 -4.05 0.03 -1.01 1.83 0.00 0.00 175.22 172.02 1brw s HIS 131 N 1.35 3.14 -0.21 10.12 3.76 0.67 -4.83 115.29 129.29 1brw s HIS 131 Ca 0.74 -0.15 0.11 0.00 -0.15 0.00 0.00 55.06 55.61 1brw s HIS 131 Cb -0.47 -2.07 -0.16 0.00 1.11 0.00 0.00 32.58 31.00 1brw s HIS 131 CO 0.32 -0.01 0.34 1.33 -0.85 0.00 0.00 174.74 175.87 1brw n VAL 132 N 3.80 0.00 -2.88 -0.90 0.24 -1.26 -4.81 118.33 112.51 1brw n VAL 132 Ca -0.17 -0.25 -0.44 0.00 -2.04 0.00 0.00 64.34 61.44 1brw n VAL 132 Cb 0.52 0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 33.41 1brw n VAL 132 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1brw s GLU 133 N -2.51 3.83 -0.09 7.34 2.12 -1.26 -0.10 118.70 128.03 1brw s GLU 133 Ca -0.01 -2.08 0.01 0.00 0.36 0.00 0.00 54.97 53.25 1brw s GLU 133 Cb 0.08 -5.06 -0.02 0.00 0.26 0.00 0.00 34.13 29.39 1brw s GLU 133 CO 0.47 -1.84 -0.11 0.42 -0.54 0.00 0.00 175.26 173.66 1brw s ILE 134 N 2.49 3.29 0.75 -3.70 -1.09 -1.26 -5.05 121.20 116.64 1brw s ILE 134 Ca 0.39 -0.61 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 1brw s ILE 134 Cb -0.03 -2.35 0.05 0.00 -1.58 0.00 0.00 42.46 38.55 1brw s ILE 134 CO -0.04 0.56 1.12 -0.94 -1.23 0.00 0.00 174.94 174.42 1brw s SER 135 N -0.33 4.97 0.29 3.58 1.04 -1.26 -4.84 113.70 117.15 1brw s SER 135 Ca 0.04 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1brw s SER 135 Cb -0.13 -1.56 0.60 0.00 0.10 0.00 0.00 66.02 65.04 1brw s SER 135 CO 0.02 -1.61 1.82 0.50 0.98 0.00 0.00 173.24 174.96 1brw h LYS 136 N -0.82 0.91 -0.03 4.02 3.64 -2.00 -0.38 116.57 121.91 1brw h LYS 136 Ca -0.45 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 58.64 1brw h LYS 136 Cb 1.29 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1brw h LYS 136 CO 0.65 0.60 -0.92 -0.44 -2.27 0.00 0.00 179.45 177.07 1brw h ASP 137 N 0.94 0.69 -0.05 4.20 5.19 -2.01 -2.94 116.42 122.45 1brw h ASP 137 Ca 0.51 -0.52 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 1brw h ASP 137 Cb 0.59 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1brw h ASP 137 CO -0.29 1.32 -0.30 -0.33 -3.12 0.00 0.00 179.24 176.52 1brw h GLU 138 N 0.33 0.51 0.09 3.56 5.08 -1.78 -2.94 114.58 119.42 1brw h GLU 138 Ca -0.08 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1brw h GLU 138 Cb 1.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1brw h GLU 138 CO 0.17 0.76 -0.04 0.35 -1.00 0.00 0.00 179.01 179.24 1brw h PHE 139 N 0.44 -0.11 -0.72 4.33 3.57 -1.08 -2.11 116.94 121.25 1brw h PHE 139 Ca 0.06 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1brw h PHE 139 Cb 0.75 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1brw h PHE 139 CO 0.03 0.00 0.48 0.82 -2.23 0.00 0.00 178.31 177.41 1brw h ILE 140 N -0.21 1.18 -0.70 1.41 2.04 -1.53 -2.28 117.51 117.43 1brw h ILE 140 Ca -0.01 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1brw h ILE 140 Cb 0.17 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1brw h ILE 140 CO 0.02 0.18 0.41 0.03 0.00 0.00 0.00 178.15 178.79 1brw h ARG 141 N 0.97 0.95 -0.47 2.37 3.08 -1.44 -1.08 114.38 118.77 1brw h ARG 141 Ca 0.27 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1brw h ARG 141 Cb -0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1brw h ARG 141 CO -0.06 0.68 0.13 -0.07 -1.07 0.00 0.00 179.97 179.58 1brw h LEU 142 N 0.95 0.70 -0.31 3.04 3.38 -1.04 -0.69 115.31 121.34 1brw h LEU 142 Ca 0.25 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1brw h LEU 142 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1brw h LEU 142 CO -0.05 0.74 -0.15 0.58 0.09 0.00 0.00 178.44 179.65 1brw h VAL 143 N 0.62 1.29 -0.34 1.22 2.07 -1.22 -0.73 116.25 119.17 1brw h VAL 143 Ca 0.15 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1brw h VAL 143 Cb 0.30 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1brw h VAL 143 CO -0.00 0.40 -0.08 0.78 0.02 0.00 0.00 177.57 178.70 1brw h ASN 144 N 0.42 0.54 0.10 0.57 2.35 -1.14 0.17 115.58 118.59 1brw h ASN 144 Ca 0.07 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1brw h ASN 144 Cb 0.68 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1brw h ASN 144 CO 0.05 0.67 -0.05 -0.08 -1.65 0.00 0.00 177.43 176.36 1brw h GLU 145 N 0.53 -0.13 0.00 0.81 4.57 -1.02 -3.40 114.58 115.93 1brw h GLU 145 Ca 0.10 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1brw h GLU 145 Cb 0.46 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1brw h GLU 145 CO 0.02 0.25 -1.18 0.09 -1.18 0.00 0.00 179.01 177.01 1brw n ASN 146 N -4.84 1.06 0.00 1.04 3.02 -0.29 -5.00 115.26 110.26 1brw n ASN 146 Ca -0.06 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1brw n ASN 146 Cb 0.22 1.34 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 1brw n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1brw n GLY 147 N 1.48 0.70 3.50 7.41 0.00 0.58 -4.97 105.19 113.89 1brw n GLY 147 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1brw n GLY 147 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1brw s ILE 148 N -2.00 0.01 -0.30 -0.61 2.07 -1.26 -0.68 121.20 118.43 1brw s ILE 148 Ca 0.00 -0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.07 1brw s ILE 148 Cb 0.00 -0.95 0.13 0.00 0.13 0.00 0.00 42.46 41.77 1brw s ILE 148 CO 0.00 -0.03 0.75 0.00 -1.91 0.00 0.00 174.94 173.75 1brw s ALA 149 N -0.99 -2.19 -0.29 1.50 0.00 -0.79 -4.13 121.76 114.86 1brw s ALA 149 Ca -0.10 2.28 0.03 0.00 0.00 0.00 0.00 51.96 54.18 1brw s ALA 149 Cb -0.01 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.39 1brw s ALA 149 CO 0.08 -0.84 -0.05 0.42 0.00 0.00 0.00 175.76 175.37 1brw s ILE 150 N 2.57 2.16 0.36 0.00 1.01 -1.25 -1.61 121.20 124.45 1brw s ILE 150 Ca -0.06 -1.87 0.04 0.00 0.00 0.00 0.00 60.65 58.76 1brw s ILE 150 Cb -0.09 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 1brw s ILE 150 CO -0.19 -0.25 0.05 0.27 0.00 0.00 0.00 174.94 174.83 1brw s ILE 151 N 1.05 1.35 0.62 2.92 -4.36 -0.61 -4.91 121.20 117.26 1brw s ILE 151 Ca -0.01 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.21 1brw s ILE 151 Cb -0.20 -2.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 1brw s ILE 151 CO -0.06 0.00 1.10 -0.83 0.24 0.00 0.00 174.94 175.38 1brw s GLY 152 N -3.56 2.24 -1.15 6.27 0.00 0.85 -0.99 107.32 110.98 1brw s GLY 152 Ca 0.35 0.55 -0.22 0.00 0.00 0.00 0.00 44.72 45.40 1brw s GLY 152 CO 0.16 0.90 1.88 1.20 0.00 0.00 0.00 173.10 177.23 1brw s GLN 153 N -3.93 2.83 -0.06 2.90 -0.21 -0.99 -4.71 119.66 115.49 1brw s GLN 153 Ca 0.67 -1.17 -0.36 0.00 0.02 0.00 0.00 55.36 54.52 1brw s GLN 153 Cb -0.20 -5.27 -0.14 0.00 1.00 0.00 0.00 33.01 28.40 1brw s GLN 153 CO 0.37 -3.48 1.69 2.41 -2.12 0.00 0.00 175.29 174.16 1brw n THR 154 N 7.52 0.29 0.00 -0.19 -1.04 -1.26 -4.81 114.28 114.78 1brw n THR 154 Ca 0.44 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 1brw n THR 154 Cb 0.47 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1brw n THR 154 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1brw n GLY 155 N 3.82 0.00 0.46 3.41 0.00 -1.26 -3.28 105.19 108.34 1brw n GLY 155 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1brw n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1brw n ASP 156 N 0.00 0.00 -4.74 1.61 9.92 -1.26 -4.68 116.55 117.40 1brw n ASP 156 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 1brw n ASP 156 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1brw n ASP 156 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1brw s LEU 157 N 0.00 4.46 -0.60 0.64 1.43 -1.21 -4.01 118.68 119.41 1brw s LEU 157 Ca 0.00 1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.40 1brw s LEU 157 Cb 0.00 -3.29 0.03 0.00 0.03 0.00 0.00 46.19 42.96 1brw s LEU 157 CO 0.00 0.01 0.64 0.35 0.23 0.00 0.00 176.35 177.58 1brw n THR 158 N 2.75 -4.83 0.13 5.49 -2.24 -1.26 -4.87 114.28 109.45 1brw n THR 158 Ca -0.02 0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 1brw n THR 158 Cb 0.50 -3.92 0.39 0.00 -2.10 0.00 0.00 70.33 65.20 1brw n THR 158 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1brw h PRO 159 N 1.16 0.22 -0.51 -0.78 0.11 -1.80 -2.78 132.00 127.63 1brw h PRO 159 Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1brw h PRO 159 Cb 1.34 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1brw h PRO 159 CO 0.28 0.37 0.19 0.00 -0.21 0.00 0.00 178.00 178.63 1brw h ALA 160 N 1.65 1.38 -0.13 -0.75 0.00 -1.86 -2.13 119.26 117.42 1brw h ALA 160 Ca 0.04 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1brw h ALA 160 Cb 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1brw h ALA 160 CO 0.02 0.46 -0.68 0.22 0.00 0.00 0.00 179.25 179.27 1brw h ASP 161 N 0.72 0.62 -0.57 0.00 3.58 -1.79 -0.92 116.42 118.06 1brw h ASP 161 Ca 0.17 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 57.14 1brw h ASP 161 Cb 0.17 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1brw h ASP 161 CO -0.01 1.13 -0.04 0.50 -2.88 0.00 0.00 179.24 177.93 1brw h LYS 162 N 0.38 1.05 0.02 0.28 3.64 -1.41 -0.68 116.57 119.84 1brw h LYS 162 Ca -0.02 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1brw h LYS 162 Cb 1.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1brw h LYS 162 CO 0.13 1.05 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.13 1brw h LYS 163 N 0.95 -0.02 -0.52 1.90 3.64 -1.39 -3.00 116.57 118.13 1brw h LYS 163 Ca 0.16 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1brw h LYS 163 Cb 0.60 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1brw h LYS 163 CO 0.04 0.47 0.07 1.25 -2.27 0.00 0.00 179.45 179.01 1brw h LEU 164 N -0.52 0.79 -0.59 5.20 5.85 -1.13 -2.62 115.31 122.30 1brw h LEU 164 Ca -0.00 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1brw h LEU 164 Cb 0.50 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1brw h LEU 164 CO 0.00 0.81 -0.11 0.22 -0.34 0.00 0.00 178.44 179.03 1brw h TYR 165 N 0.79 1.13 -0.91 1.25 3.20 -1.19 -1.06 116.97 120.17 1brw h TYR 165 Ca 0.16 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1brw h TYR 165 Cb 0.38 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1brw h TYR 165 CO 0.02 1.05 0.60 0.00 -1.64 0.00 0.00 178.16 178.19 1brw h ALA 166 N 0.96 1.38 -0.25 1.82 0.00 -1.36 -1.19 119.26 120.63 1brw h ALA 166 Ca 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1brw h ALA 166 Cb 0.67 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1brw h ALA 166 CO 0.05 0.55 -0.18 1.25 0.00 0.00 0.00 179.25 180.92 1brw h LEU 167 N 1.19 0.59 -1.67 0.00 5.85 -1.13 -2.89 115.31 117.25 1brw h LEU 167 Ca 0.35 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1brw h LEU 167 Cb -0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1brw h LEU 167 CO -0.09 0.91 0.11 0.03 -0.34 0.00 0.00 178.44 179.06 1brw h ARG 168 N 0.28 0.32 -0.26 1.25 3.08 -0.83 -2.39 114.38 115.83 1brw h ARG 168 Ca 0.05 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1brw h ARG 168 Cb 0.72 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1brw h ARG 168 CO 0.05 0.26 -0.14 0.22 -1.07 0.00 0.00 179.97 179.29 1brw h ASP 169 N 0.33 0.42 -0.43 7.04 3.58 -1.02 -2.03 116.42 124.31 1brw h ASP 169 Ca 0.08 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1brw h ASP 169 Cb 0.04 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1brw h ASP 169 CO -0.01 0.59 0.00 1.33 -2.88 0.00 0.00 179.24 178.27 1brw n VAL 170 N -4.21 0.62 -0.19 2.25 0.24 -0.93 -4.30 118.33 111.82 1brw n VAL 170 Ca 0.00 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1brw n VAL 170 Cb 0.32 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1brw n VAL 170 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1brw n THR 171 N 1.37 0.55 -2.31 3.34 -2.24 -1.00 -5.01 114.28 108.98 1brw n THR 171 Ca 0.19 -0.68 -0.17 0.00 -2.27 0.00 0.00 64.05 61.11 1brw n THR 171 Cb 0.57 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1brw n THR 171 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1brw n ALA 172 N -0.27 -0.51 -1.80 6.98 0.00 -1.03 -4.93 120.51 118.95 1brw n ALA 172 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 1brw n ALA 172 Cb 0.21 -1.91 0.07 0.00 0.00 0.00 0.00 19.45 17.82 1brw n ALA 172 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1brw n THR 173 N -3.98 2.70 -0.05 0.00 -2.24 -0.79 -4.75 114.28 105.17 1brw n THR 173 Ca -0.21 -3.74 -0.08 0.00 -2.27 0.00 0.00 64.05 57.76 1brw n THR 173 Cb 0.65 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 1brw n THR 173 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1brw h VAL 174 N 1.73 0.93 -0.21 2.28 2.07 -1.92 -3.41 116.25 117.73 1brw h VAL 174 Ca 0.37 -1.66 -0.59 0.00 0.82 0.00 0.00 66.70 65.63 1brw h VAL 174 Cb 1.39 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1brw h VAL 174 CO 0.80 0.31 2.16 -3.20 0.02 0.00 0.00 177.57 177.66 1brw n ASN 175 N -4.71 3.17 -3.80 0.57 2.85 -1.26 -4.60 115.26 107.48 1brw n ASN 175 Ca -0.05 -2.74 -0.21 0.00 -0.11 0.00 0.00 54.58 51.47 1brw n ASN 175 Cb 0.25 -1.43 -0.17 0.00 1.24 0.00 0.00 39.78 39.67 1brw n ASN 175 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1brw s SER 176 N 4.92 1.14 0.16 1.20 0.15 -1.26 -5.05 113.70 114.96 1brw s SER 176 Ca 0.58 -0.07 -0.24 0.00 0.70 0.00 0.00 55.95 56.92 1brw s SER 176 Cb 0.10 -0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1brw s SER 176 CO 0.08 -0.15 1.59 0.40 1.20 0.00 0.00 173.24 176.37 1brw h ILE 177 N 6.27 0.19 -0.71 6.45 2.04 -1.94 0.32 117.51 130.13 1brw h ILE 177 Ca -0.28 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1brw h ILE 177 Cb 1.13 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 1brw h ILE 177 CO 0.35 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 178.25 1brw h PRO 178 N -0.28 0.70 0.00 2.37 0.11 -1.94 0.57 132.00 133.53 1brw h PRO 178 Ca 0.16 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1brw h PRO 178 Cb 0.56 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1brw h PRO 178 CO -0.54 0.46 -0.44 -0.07 -0.21 0.00 0.00 178.00 177.20 1brw h LEU 179 N 0.72 0.00 0.19 2.35 3.38 -1.79 -2.19 115.31 117.97 1brw h LEU 179 Ca 0.33 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.03 1brw h LEU 179 Cb 0.23 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.01 1brw h LEU 179 CO -0.20 0.44 -1.17 0.40 0.09 0.00 0.00 178.44 177.99 1brw h ILE 180 N 0.00 1.37 0.20 1.22 2.04 -0.33 -2.97 117.51 119.04 1brw h ILE 180 Ca -0.00 -2.60 -0.01 0.00 1.00 0.00 0.00 64.86 63.24 1brw h ILE 180 Cb 1.00 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1brw h ILE 180 CO 0.06 0.76 -0.10 0.00 0.00 0.00 0.00 178.15 178.87 1brw h ALA 181 N 0.11 -0.27 -0.00 1.87 0.00 -0.90 -1.84 119.26 118.22 1brw h ALA 181 Ca -0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1brw h ALA 181 Cb 1.90 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1brw h ALA 181 CO 0.20 -0.58 -0.21 0.66 0.00 0.00 0.00 179.25 179.33 1brw h SER 182 N -0.41 0.00 0.00 0.00 4.64 -1.55 -1.14 113.55 115.10 1brw h SER 182 Ca -0.03 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1brw h SER 182 Cb 0.31 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1brw h SER 182 CO 0.04 0.21 -0.00 -1.28 -0.87 0.00 0.00 176.83 174.94 1brw h SER 183 N 0.00 -0.00 -0.10 4.97 0.87 -1.33 -2.15 113.55 115.82 1brw h SER 183 Ca -0.00 -0.47 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1brw h SER 183 Cb 0.37 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1brw h SER 183 CO 0.03 0.47 -0.03 0.40 -0.53 0.00 0.00 176.83 177.17 1brw h ILE 184 N -0.48 1.30 -0.16 2.23 2.04 -1.21 -3.22 117.51 118.01 1brw h ILE 184 Ca -0.00 -0.98 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 1brw h ILE 184 Cb 0.48 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1brw h ILE 184 CO 0.00 0.28 -0.39 0.24 0.00 0.00 0.00 178.15 178.27 1brw h MET 185 N -0.15 0.36 -0.59 2.37 2.86 -1.32 -2.53 114.93 115.92 1brw h MET 185 Ca 0.02 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1brw h MET 185 Cb 0.45 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1brw h MET 185 CO 0.01 0.70 0.31 0.66 1.06 0.00 0.00 176.91 179.64 1brw h SER 186 N 0.30 0.74 -0.18 1.22 4.64 -1.46 -1.05 113.55 117.76 1brw h SER 186 Ca 0.03 -0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 1brw h SER 186 Cb 0.82 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1brw h SER 186 CO 0.07 0.61 -0.74 0.11 -0.87 0.00 0.00 176.83 176.01 1brw h LYS 187 N 0.83 0.82 -0.34 4.77 1.57 -1.51 -2.41 116.57 120.31 1brw h LYS 187 Ca 0.21 -0.64 -0.17 0.00 -1.87 0.00 0.00 60.65 58.19 1brw h LYS 187 Cb 0.05 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1brw h LYS 187 CO -0.03 1.25 -0.44 0.87 -0.57 0.00 0.00 179.45 180.52 1brw h LYS 188 N 0.57 0.87 -0.45 3.15 1.79 -1.19 -1.57 116.57 119.74 1brw h LYS 188 Ca -0.04 -0.49 -0.13 0.00 -2.18 0.00 0.00 60.65 57.81 1brw h LYS 188 Cb 1.36 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1brw h LYS 188 CO 0.15 1.13 -0.22 0.82 -1.08 0.00 0.00 179.45 180.25 1brw h ILE 189 N 0.70 1.27 0.00 1.86 2.04 -1.26 -2.84 117.51 119.28 1brw h ILE 189 Ca 0.04 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1brw h ILE 189 Cb 1.03 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1brw h ILE 189 CO 0.10 0.47 -0.31 0.00 0.00 0.00 0.00 178.15 178.42 1brw h ALA 190 N 0.84 1.06 0.00 1.87 0.00 -1.42 -2.99 119.26 118.62 1brw h ALA 190 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1brw h ALA 190 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1brw h ALA 190 CO 0.07 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1brw h ALA 191 N 1.69 1.00 0.00 0.00 0.00 -1.03 -0.85 119.26 120.08 1brw h ALA 191 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1brw h ALA 191 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1brw h ALA 191 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1brw n GLY 192 N 0.14 2.16 3.58 0.00 0.00 -1.13 -4.63 105.19 105.31 1brw n GLY 192 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1brw n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brw n ALA 193 N -1.40 -0.61 0.04 4.61 0.00 -1.26 -4.74 120.51 117.15 1brw n ALA 193 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1brw n ALA 193 Cb 0.00 -2.06 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 1brw n ALA 193 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1brw h ASP 194 N -0.42 0.23 -4.28 0.00 3.32 -1.38 -3.47 116.42 110.43 1brw h ASP 194 Ca -0.47 -0.34 -0.52 0.00 0.02 0.00 0.00 57.03 55.73 1brw h ASP 194 Cb 1.33 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 40.52 1brw h ASP 194 CO 0.45 1.28 -0.82 0.00 -1.72 0.00 0.00 179.24 178.43 1brw s ALA 195 N -2.63 1.34 -0.09 3.45 0.00 -0.74 -1.45 121.76 121.64 1brw s ALA 195 Ca -0.07 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1brw s ALA 195 Cb 0.08 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1brw s ALA 195 CO 0.84 0.32 -0.06 0.42 0.00 0.00 0.00 175.76 177.28 1brw s ILE 196 N -0.44 0.83 -0.22 0.00 1.01 0.19 -0.34 121.20 122.24 1brw s ILE 196 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1brw s ILE 196 Cb -0.06 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1brw s ILE 196 CO -0.00 0.33 0.02 0.68 0.00 0.00 0.00 174.94 175.96 1brw s VAL 197 N 1.58 3.95 -0.11 2.92 -7.23 -0.59 -1.63 120.40 119.30 1brw s VAL 197 Ca 0.01 -0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 1brw s VAL 197 Cb -0.13 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1brw s VAL 197 CO -0.05 0.40 0.07 -0.76 -0.31 0.00 0.00 175.10 174.44 1brw s LEU 198 N 1.33 3.98 -0.46 1.32 1.43 0.28 -2.23 118.68 124.32 1brw s LEU 198 Ca 0.04 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1brw s LEU 198 Cb -0.15 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.25 1brw s LEU 198 CO 0.01 0.38 0.25 -0.62 0.23 0.00 0.00 176.35 176.61 1brw s ASP 199 N -0.89 5.14 -0.39 2.29 2.15 0.15 -1.44 116.67 123.68 1brw s ASP 199 Ca 0.14 -2.33 -0.22 0.00 0.43 0.00 0.00 52.55 50.57 1brw s ASP 199 Cb -0.12 -1.80 0.01 0.00 -0.30 0.00 0.00 42.92 40.71 1brw s ASP 199 CO 0.03 -0.46 0.72 -0.69 -0.17 0.00 0.00 175.17 174.60 1brw s VAL 200 N 0.71 4.77 0.27 1.11 1.01 0.23 -1.99 120.40 126.51 1brw s VAL 200 Ca 0.11 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 1brw s VAL 200 Cb -0.22 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 1brw s VAL 200 CO -0.04 -0.48 0.89 -0.54 0.00 0.00 0.00 175.10 174.93 1brw s LYS 201 N 2.99 4.60 -0.01 2.72 -0.14 -1.26 -1.42 119.74 127.21 1brw s LYS 201 Ca 0.28 1.28 0.01 0.00 -1.36 0.00 0.00 55.97 56.18 1brw s LYS 201 Cb -0.13 -2.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1brw s LYS 201 CO 0.18 0.39 -0.04 -0.08 -0.76 0.00 0.00 175.35 175.03 1brw s THR 202 N -1.45 0.38 -2.36 2.17 -1.32 -0.74 -4.46 115.64 107.87 1brw s THR 202 Ca 0.45 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1brw s THR 202 Cb -0.21 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1brw s THR 202 CO 0.26 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.41 1brw n GLY 203 N 3.28 0.64 0.34 6.08 0.00 -0.92 -0.78 105.19 113.82 1brw n GLY 203 Ca -0.17 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 43.80 1brw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brw h ALA 204 N 0.00 1.71 -0.05 4.61 0.00 -1.79 -2.43 119.26 121.31 1brw h ALA 204 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1brw h ALA 204 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1brw h ALA 204 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1brw n GLY 205 N -1.46 -0.17 3.89 0.00 0.00 -0.05 -4.00 105.19 103.41 1brw n GLY 205 Ca 0.08 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1brw n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brw s ALA 206 N -1.95 4.21 0.05 4.61 0.00 -0.91 -4.47 121.76 123.30 1brw s ALA 206 Ca 0.38 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1brw s ALA 206 Cb 0.20 -0.95 -0.31 0.00 0.00 0.00 0.00 23.12 22.05 1brw s ALA 206 CO 0.31 -0.34 1.07 0.74 0.00 0.00 0.00 175.76 177.54 1brw h PHE 207 N 0.89 0.69 -2.55 0.00 -1.00 -1.83 -3.40 116.94 109.74 1brw h PHE 207 Ca -0.39 -0.50 -0.65 0.00 2.81 0.00 0.00 57.97 59.23 1brw h PHE 207 Cb 1.28 -0.03 -0.16 0.00 3.61 0.00 0.00 35.95 40.65 1brw h PHE 207 CO 0.64 1.40 0.63 -1.64 -1.61 0.00 0.00 178.31 177.73 1brw s MET 208 N -2.63 3.27 0.08 1.51 -1.94 -1.26 -4.89 119.30 113.44 1brw s MET 208 Ca -0.06 -1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 52.62 1brw s MET 208 Cb 0.06 -4.47 -0.16 0.00 2.01 0.00 0.00 34.83 32.27 1brw s MET 208 CO 0.91 -1.80 1.29 0.87 -0.01 0.00 0.00 175.02 176.28 1brw h LYS 209 N 9.33 0.71 -6.09 2.03 1.79 -1.78 -2.46 116.57 120.11 1brw h LYS 209 Ca -0.14 -0.56 -0.60 0.00 -2.18 0.00 0.00 60.65 57.17 1brw h LYS 209 Cb 1.06 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 1brw h LYS 209 CO 1.16 1.18 -0.26 0.15 -1.08 0.00 0.00 179.45 180.59 1brw s LYS 210 N -3.77 3.74 0.27 3.15 1.02 -1.26 -2.97 119.74 119.91 1brw s LYS 210 Ca -0.11 0.14 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 1brw s LYS 210 Cb 0.08 -3.00 0.43 0.00 -0.52 0.00 0.00 37.83 34.81 1brw s LYS 210 CO 0.88 0.57 1.86 1.25 -0.92 0.00 0.00 175.35 178.99 1brw h LEU 211 N 3.72 0.98 -1.83 3.17 5.85 -1.97 -1.29 115.31 123.94 1brw h LEU 211 Ca -0.49 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1brw h LEU 211 Cb 1.19 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1brw h LEU 211 CO 0.67 0.60 -0.14 0.44 -0.34 0.00 0.00 178.44 179.67 1brw h ASP 212 N 1.10 0.00 0.02 1.25 5.19 -1.98 -1.45 116.42 120.54 1brw h ASP 212 Ca 0.44 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.59 1brw h ASP 212 Cb 0.25 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.78 1brw h ASP 212 CO -0.20 0.14 -1.01 -0.33 -3.12 0.00 0.00 179.24 174.72 1brw h GLU 213 N 0.00 0.66 -0.72 3.56 5.08 -1.64 -3.02 114.58 118.50 1brw h GLU 213 Ca -0.00 -0.73 -0.06 0.00 -1.00 0.00 0.00 59.36 57.57 1brw h GLU 213 Cb 0.37 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1brw h GLU 213 CO 0.02 1.31 0.23 0.00 -1.00 0.00 0.00 179.01 179.57 1brw h ALA 214 N 0.37 1.05 -0.38 3.43 0.00 -0.97 -1.85 119.26 120.92 1brw h ALA 214 Ca -0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1brw h ALA 214 Cb 1.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1brw h ALA 214 CO 0.20 0.65 0.05 -0.09 0.00 0.00 0.00 179.25 180.06 1brw h ARG 215 N 1.07 0.64 -0.17 0.00 2.43 -1.35 -1.48 114.38 115.52 1brw h ARG 215 Ca 0.23 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1brw h ARG 215 Cb 0.29 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1brw h ARG 215 CO -0.01 0.70 -0.21 0.00 -1.51 0.00 0.00 179.97 178.94 1brw h ARG 216 N 0.48 0.29 -0.06 0.20 3.08 -1.42 -1.94 114.38 115.01 1brw h ARG 216 Ca 0.11 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1brw h ARG 216 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1brw h ARG 216 CO 0.01 0.50 -0.23 1.25 -1.07 0.00 0.00 179.97 180.43 1brw h LEU 217 N 0.27 0.31 -0.75 3.04 5.85 -1.10 -2.81 115.31 120.12 1brw h LEU 217 Ca 0.05 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 1brw h LEU 217 Cb 0.53 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1brw h LEU 217 CO 0.04 0.89 0.33 0.00 -0.34 0.00 0.00 178.44 179.35 1brw h ALA 218 N 0.43 0.97 -0.12 1.25 0.00 -1.23 -2.49 119.26 118.06 1brw h ALA 218 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1brw h ALA 218 Cb 0.87 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1brw h ALA 218 CO 0.05 0.56 0.06 -0.09 0.00 0.00 0.00 179.25 179.83 1brw h ARG 219 N 1.06 0.18 -0.36 0.00 2.43 -1.41 -1.54 114.38 114.74 1brw h ARG 219 Ca 0.25 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1brw h ARG 219 Cb 0.17 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1brw h ARG 219 CO -0.03 0.25 -0.16 -0.24 -1.51 0.00 0.00 179.97 178.28 1brw h VAL 220 N 0.06 1.26 -0.47 0.20 3.04 -1.45 -1.74 116.25 117.14 1brw h VAL 220 Ca 0.04 -1.18 -0.13 0.00 -1.01 0.00 0.00 66.70 64.42 1brw h VAL 220 Cb 0.13 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1brw h VAL 220 CO -0.00 0.39 -0.22 0.24 -1.01 0.00 0.00 177.57 176.97 1brw h MET 221 N 0.59 0.98 -0.39 4.17 2.86 -1.34 -0.76 114.93 121.03 1brw h MET 221 Ca 0.10 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1brw h MET 221 Cb 0.60 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1brw h MET 221 CO 0.04 1.09 0.11 0.28 1.06 0.00 0.00 176.91 179.49 1brw h VAL 222 N 0.84 1.22 -0.95 -2.22 2.07 -1.09 -2.52 116.25 113.59 1brw h VAL 222 Ca 0.11 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1brw h VAL 222 Cb 0.80 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1brw h VAL 222 CO 0.07 0.26 0.63 -0.78 0.02 0.00 0.00 177.57 177.77 1brw h ASP 223 N 0.49 1.09 -0.69 0.57 3.58 -1.17 -2.27 116.42 118.02 1brw h ASP 223 Ca 0.12 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1brw h ASP 223 Cb 0.29 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1brw h ASP 223 CO -0.00 0.79 0.33 0.40 -2.88 0.00 0.00 179.24 177.88 1brw h ILE 224 N 1.29 1.23 -0.35 2.25 2.04 -0.90 -2.26 117.51 120.81 1brw h ILE 224 Ca 0.35 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1brw h ILE 224 Cb -0.14 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1brw h ILE 224 CO -0.08 0.27 -0.08 1.23 0.00 0.00 0.00 178.15 179.49 1brw h GLY 225 N 0.96 0.73 2.00 5.37 0.00 -1.03 -3.07 103.07 108.03 1brw h GLY 225 Ca 0.24 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1brw h GLY 225 CO -0.03 0.55 -0.23 0.50 0.00 0.00 0.00 176.54 177.33 1brw h LYS 226 N 0.47 0.00 -0.17 4.80 1.57 -1.35 -0.95 116.57 120.95 1brw h LYS 226 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1brw h LYS 226 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1brw h LYS 226 CO 0.03 0.23 -0.04 0.00 -0.57 0.00 0.00 179.45 179.10 1brw h ARG 227 N 0.00 0.25 -0.40 3.15 3.08 -1.30 -2.65 114.38 116.49 1brw h ARG 227 Ca -0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1brw h ARG 227 Cb 0.46 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1brw h ARG 227 CO 0.03 0.31 0.04 1.33 -1.07 0.00 0.00 179.97 180.62 1brw n VAL 228 N -4.35 2.52 -1.00 2.04 0.24 -1.03 -4.98 118.33 111.77 1brw n VAL 228 Ca -0.00 -1.92 0.00 0.00 -2.04 0.00 0.00 64.34 60.38 1brw n VAL 228 Cb 0.21 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1brw n VAL 228 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1brw n GLY 229 N -0.42 0.47 3.85 7.63 0.00 -1.00 -5.04 105.19 110.68 1brw n GLY 229 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1brw n GLY 229 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brw s ARG 230 N -0.14 4.01 -0.79 1.61 1.81 -0.39 -4.98 118.95 120.09 1brw s ARG 230 Ca 0.00 0.59 -0.23 0.00 -1.72 0.00 0.00 55.73 54.37 1brw s ARG 230 Cb 0.00 -2.67 0.07 0.00 -0.45 0.00 0.00 34.95 31.90 1brw s ARG 230 CO 0.00 0.30 1.16 1.03 -0.68 0.00 0.00 175.30 177.11 1brw s ARG 231 N -2.53 3.30 -0.01 3.54 0.52 -0.53 -3.71 118.95 119.52 1brw s ARG 231 Ca 0.47 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1brw s ARG 231 Cb -0.13 -4.53 -0.04 0.00 0.52 0.00 0.00 34.95 30.78 1brw s ARG 231 CO 0.19 -1.97 0.03 0.99 0.02 0.00 0.00 175.30 174.57 1brw s THR 232 N 4.43 4.38 0.10 0.02 2.01 -1.26 -0.63 115.64 124.68 1brw s THR 232 Ca 0.31 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 1brw s THR 232 Cb -0.10 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1brw s THR 232 CO 0.05 0.39 0.30 -0.32 -0.69 0.00 0.00 174.62 174.35 1brw s MET 233 N -1.55 0.94 -0.01 4.92 0.00 -0.65 -4.85 119.30 118.11 1brw s MET 233 Ca 0.20 -0.76 -0.16 0.00 0.00 0.00 0.00 55.69 54.97 1brw s MET 233 Cb -0.12 0.40 0.03 0.00 0.00 0.00 0.00 34.83 35.14 1brw s MET 233 CO 0.11 -0.33 0.34 0.00 0.00 0.00 0.00 175.02 175.14 1brw s ALA 234 N -3.59 -0.86 0.06 4.11 0.00 -0.19 -0.56 121.76 120.74 1brw s ALA 234 Ca 0.02 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.43 1brw s ALA 234 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1brw s ALA 234 CO -0.10 -0.29 -0.22 0.14 0.00 0.00 0.00 175.76 175.29 1brw s VAL 235 N -1.50 1.78 -0.31 0.00 -7.23 -0.52 -0.23 120.40 112.39 1brw s VAL 235 Ca -0.12 -1.34 -0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1brw s VAL 235 Cb -0.04 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.36 1brw s VAL 235 CO 0.04 0.16 0.07 -0.63 -0.31 0.00 0.00 175.10 174.43 1brw s ILE 236 N -0.90 3.76 0.29 -0.62 1.01 -0.42 -0.60 121.20 123.72 1brw s ILE 236 Ca 0.08 -0.91 0.11 0.00 0.00 0.00 0.00 60.65 59.93 1brw s ILE 236 Cb -0.09 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 1brw s ILE 236 CO 0.03 -0.01 -0.14 -0.94 0.00 0.00 0.00 174.94 173.88 1brw s SER 237 N 1.44 3.81 0.09 3.58 1.04 -0.51 0.23 113.70 123.38 1brw s SER 237 Ca 0.01 -0.99 -0.31 0.00 0.48 0.00 0.00 55.95 55.14 1brw s SER 237 Cb -0.18 -0.41 -0.08 0.00 0.10 0.00 0.00 66.02 65.45 1brw s SER 237 CO 0.02 -0.02 1.46 -0.62 0.98 0.00 0.00 173.24 175.06 1brw s ASP 238 N -3.56 6.76 -0.01 7.02 2.15 -0.03 -1.79 116.67 127.21 1brw s ASP 238 Ca 0.31 2.34 0.24 0.00 0.43 0.00 0.00 52.55 55.87 1brw s ASP 238 Cb -0.04 -2.58 0.42 0.00 -0.30 0.00 0.00 42.92 40.42 1brw s ASP 238 CO 0.16 -0.73 1.17 0.80 -0.17 0.00 0.00 175.17 176.40 1brw n MET 239 N 4.58 0.11 0.14 4.34 0.00 0.04 -4.77 117.12 121.55 1brw n MET 239 Ca 0.13 -2.06 0.02 0.00 -0.00 0.00 0.00 57.70 55.79 1brw n MET 239 Cb 0.42 -0.13 0.07 0.00 0.00 0.00 0.00 33.22 33.58 1brw n MET 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1brw h SER 240 N 0.97 0.00 -4.28 6.12 4.64 -1.88 -0.08 113.55 119.04 1brw h SER 240 Ca -0.21 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.83 1brw h SER 240 Cb 1.82 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.76 1brw h SER 240 CO 0.09 0.56 -0.70 0.00 -0.87 0.00 0.00 176.83 175.91 1brw s GLN 241 N -3.07 0.98 0.54 4.77 -2.07 -1.26 -1.94 119.66 117.61 1brw s GLN 241 Ca 0.03 -1.42 -0.21 0.00 -1.82 0.00 0.00 55.36 51.94 1brw s GLN 241 Cb 0.09 -0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 31.54 1brw s GLN 241 CO 0.74 0.01 1.23 -2.14 -1.32 0.00 0.00 175.29 173.82 1brw s PRO 242 N -3.80 3.29 0.10 9.60 0.02 -1.26 -4.81 135.00 138.13 1brw s PRO 242 Ca 0.16 1.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 1brw s PRO 242 Cb 0.04 -2.17 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 1brw s PRO 242 CO -0.01 -0.97 1.05 -1.17 -0.33 0.00 0.00 177.00 175.56 1brw s LEU 243 N -3.58 4.44 0.00 -5.54 2.96 -1.06 -4.80 118.68 111.10 1brw s LEU 243 Ca 0.71 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1brw s LEU 243 Cb -0.32 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.78 1brw s LEU 243 CO 0.37 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 1brw n GLY 244 N 2.52 0.11 0.02 7.98 0.00 -1.26 -4.55 105.19 110.01 1brw n GLY 244 Ca 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 1brw n GLY 244 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1brw n TYR 245 N 0.38 0.00 -2.94 1.61 4.01 -1.26 -4.93 117.16 114.02 1brw n TYR 245 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1brw n TYR 245 Cb 0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1brw n TYR 245 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1brw s ALA 246 N -2.10 3.42 -0.15 -0.72 0.00 -1.26 -0.54 121.76 120.41 1brw s ALA 246 Ca -0.05 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1brw s ALA 246 Cb 0.02 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 20.17 1brw s ALA 246 CO 0.13 0.24 0.01 0.08 0.00 0.00 0.00 175.76 176.22 1brw s VAL 247 N -0.95 0.53 0.00 0.00 1.01 -0.00 -4.51 120.40 116.48 1brw s VAL 247 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1brw s VAL 247 Cb -0.23 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1brw s VAL 247 CO 0.27 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1brw n GLY 248 N 5.07 -0.51 1.02 4.51 0.00 -1.26 -1.37 105.19 112.65 1brw n GLY 248 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1brw n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1brw n ASN 249 N 0.00 0.00 0.09 1.61 3.02 -1.26 -4.62 115.26 114.10 1brw n ASN 249 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1brw n ASN 249 Cb 0.00 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 39.64 1brw n ASN 249 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1brw h ALA 250 N 0.00 1.74 -0.02 5.41 0.00 -1.67 -0.70 119.26 124.02 1brw h ALA 250 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1brw h ALA 250 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1brw h ALA 250 CO 0.00 0.22 -0.70 -0.07 0.00 0.00 0.00 179.25 178.70 1brw h LEU 251 N 0.36 0.11 -0.22 0.00 3.38 -1.85 -2.50 115.31 114.60 1brw h LEU 251 Ca 0.09 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1brw h LEU 251 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1brw h LEU 251 CO -0.01 0.78 -0.70 -0.33 0.09 0.00 0.00 178.44 178.26 1brw h GLU 252 N 0.06 0.00 -0.27 1.13 5.08 -1.57 -2.86 114.58 116.15 1brw h GLU 252 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1brw h GLU 252 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1brw h GLU 252 CO 0.10 0.70 -0.44 0.28 -1.00 0.00 0.00 179.01 178.65 1brw h VAL 253 N 0.00 1.30 -0.00 3.13 2.07 -1.04 -1.20 116.25 120.50 1brw h VAL 253 Ca -0.01 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.78 1brw h VAL 253 Cb 1.44 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1brw h VAL 253 CO 0.09 0.52 -0.48 0.11 0.02 0.00 0.00 177.57 177.83 1brw h LYS 254 N 0.55 0.01 -0.11 1.57 1.57 -1.47 -2.01 116.57 116.68 1brw h LYS 254 Ca 0.04 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 1brw h LYS 254 Cb 0.98 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.30 1brw h LYS 254 CO 0.09 0.49 -0.79 1.49 -0.57 0.00 0.00 179.45 180.16 1brw h GLU 255 N 0.01 0.66 -0.49 3.15 4.81 -1.26 -2.68 114.58 118.78 1brw h GLU 255 Ca -0.00 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1brw h GLU 255 Cb 0.86 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1brw h GLU 255 CO 0.06 1.17 0.25 0.00 -0.73 0.00 0.00 179.01 179.77 1brw h ALA 256 N 0.66 0.63 -0.55 2.92 0.00 -0.96 -1.91 119.26 120.06 1brw h ALA 256 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1brw h ALA 256 Cb 1.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1brw h ALA 256 CO 0.15 0.18 0.30 0.82 0.00 0.00 0.00 179.25 180.70 1brw h ILE 257 N 0.65 1.18 -0.13 0.00 2.04 -1.39 -1.28 117.51 118.59 1brw h ILE 257 Ca 0.17 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1brw h ILE 257 Cb 0.09 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1brw h ILE 257 CO -0.02 0.20 -0.27 -0.33 0.00 0.00 0.00 178.15 177.73 1brw h GLU 258 N 0.74 0.23 -0.19 2.37 5.08 -1.29 -2.08 114.58 119.44 1brw h GLU 258 Ca 0.19 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.29 1brw h GLU 258 Cb 0.05 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1brw h GLU 258 CO -0.03 0.49 -0.61 1.15 -1.00 0.00 0.00 179.01 179.01 1brw h THR 259 N 0.21 1.30 0.00 1.13 2.02 -0.96 0.16 112.91 116.77 1brw h THR 259 Ca 0.03 -1.82 -0.03 0.00 0.77 0.00 0.00 66.41 65.36 1brw h THR 259 Cb 0.59 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1brw h THR 259 CO 0.04 0.58 -0.15 -0.07 0.37 0.00 0.00 175.52 176.29 1brw h LEU 260 N 0.46 0.00 -0.87 2.58 3.38 -1.03 -1.92 115.31 117.90 1brw h LEU 260 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1brw h LEU 260 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1brw h LEU 260 CO 0.13 0.15 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1brw n LYS 261 N -3.42 1.60 -1.11 1.13 5.02 -0.80 -4.28 118.16 116.30 1brw n LYS 261 Ca -0.01 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 1brw n LYS 261 Cb 0.33 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1brw n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brw n GLY 262 N 1.15 0.60 1.17 0.72 0.00 -0.72 -4.97 105.19 103.14 1brw n GLY 262 Ca 0.19 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1brw n GLY 262 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1brw n ASN 263 N 1.57 1.20 -4.22 1.61 5.03 0.55 -5.01 115.26 115.99 1brw n ASN 263 Ca 0.00 -2.60 -0.20 0.00 0.87 0.00 0.00 54.58 52.65 1brw n ASN 263 Cb 0.16 -0.37 0.11 0.00 -1.02 0.00 0.00 39.78 38.66 1brw n ASN 263 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1brw n GLY 264 N -0.04 0.63 3.75 7.41 0.00 -1.09 -4.70 105.19 111.14 1brw n GLY 264 Ca 0.10 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1brw n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1brw s PRO 265 N -4.78 4.30 0.33 1.61 0.04 -1.26 -4.91 135.00 130.32 1brw s PRO 265 Ca 0.58 2.27 0.08 0.00 0.04 0.00 0.00 61.00 63.97 1brw s PRO 265 Cb -0.03 -3.10 0.79 0.00 0.04 0.00 0.00 34.50 32.20 1brw s PRO 265 CO 0.39 -0.34 1.82 0.45 0.04 0.00 0.00 177.00 179.36 1brw h HIS 266 N 4.41 0.94 -0.28 0.56 3.86 -1.99 -2.20 115.15 120.45 1brw h HIS 266 Ca -0.47 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.58 1brw h HIS 266 Cb 1.22 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1brw h HIS 266 CO 0.58 0.27 -0.57 0.38 0.86 0.00 0.00 177.93 179.46 1brw h ASP 267 N 0.73 0.97 -0.46 2.45 2.03 -1.99 -1.80 116.42 118.35 1brw h ASP 267 Ca 0.52 -0.53 -0.05 0.00 -0.73 0.00 0.00 57.03 56.24 1brw h ASP 267 Cb 0.85 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 1brw h ASP 267 CO -0.29 1.33 0.08 0.25 -1.03 0.00 0.00 179.24 179.58 1brw h LEU 268 N 0.66 0.72 -0.10 0.15 5.85 -1.84 -1.65 115.31 119.10 1brw h LEU 268 Ca 0.01 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1brw h LEU 268 Cb 1.18 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1brw h LEU 268 CO 0.12 0.79 0.04 0.74 -0.34 0.00 0.00 178.44 179.80 1brw h THR 269 N 0.62 1.12 -0.71 1.05 2.02 -1.42 -2.15 112.91 113.45 1brw h THR 269 Ca 0.14 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1brw h THR 269 Cb 0.37 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1brw h THR 269 CO 0.01 0.11 0.44 -0.08 0.37 0.00 0.00 175.52 176.37 1brw h GLU 270 N 0.02 0.95 -0.49 6.66 4.57 -1.26 -1.40 114.58 123.64 1brw h GLU 270 Ca 0.03 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1brw h GLU 270 Cb 0.13 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1brw h GLU 270 CO -0.00 0.66 0.20 1.25 -1.18 0.00 0.00 179.01 179.94 1brw h LEU 271 N 0.96 0.66 -0.49 1.64 5.85 -1.21 -2.10 115.31 120.62 1brw h LEU 271 Ca 0.26 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1brw h LEU 271 Cb -0.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1brw h LEU 271 CO -0.05 0.64 0.02 0.00 -0.34 0.00 0.00 178.44 178.71 1brw h LEU 273 N 0.71 0.00 0.02 0.00 3.38 -1.20 0.46 115.31 118.69 1brw h LEU 273 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1brw h LEU 273 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1brw h LEU 273 CO 0.02 0.30 -0.18 0.74 0.09 0.00 0.00 178.44 179.42 1brw h THR 274 N 0.00 1.68 -0.56 0.22 2.02 -1.21 -2.31 112.91 112.76 1brw h THR 274 Ca -0.00 -2.24 -0.11 0.00 0.77 0.00 0.00 66.41 64.83 1brw h THR 274 Cb 0.55 3.18 -0.02 0.00 -1.74 0.00 0.00 68.15 70.12 1brw h THR 274 CO 0.04 0.60 -0.09 -0.07 0.37 0.00 0.00 175.52 176.36 1brw h LEU 275 N -0.77 1.04 -0.31 2.58 3.38 -1.05 -3.11 115.31 117.06 1brw h LEU 275 Ca -0.03 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1brw h LEU 275 Cb 1.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1brw h LEU 275 CO 0.03 1.14 0.17 1.23 0.09 0.00 0.00 178.44 181.11 1brw h GLY 276 N 0.93 0.43 0.51 0.83 0.00 -0.16 -2.45 103.07 103.16 1brw h GLY 276 Ca 0.15 -0.12 0.17 0.00 0.00 0.00 0.00 47.33 47.52 1brw h GLY 276 CO 0.05 0.10 0.55 1.76 0.00 0.00 0.00 176.54 179.00 1brw h SER 277 N 0.35 0.47 0.49 0.19 0.02 -1.34 0.14 113.55 113.86 1brw h SER 277 Ca 0.13 0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 1brw h SER 277 Cb 0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1brw h SER 277 CO -0.08 0.22 -0.86 0.45 -1.14 0.00 0.00 176.83 175.42 1brw h HIS 278 N 0.49 0.38 -0.22 3.45 -0.00 -1.44 -2.04 115.15 115.76 1brw h HIS 278 Ca 0.42 -0.20 -0.06 0.00 -0.00 0.00 0.00 60.37 60.53 1brw h HIS 278 Cb 0.92 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 1brw h HIS 278 CO -0.00 1.00 -0.10 0.52 -0.00 0.00 0.00 177.93 179.35 1brw h MET 279 N 0.15 0.46 -0.30 2.45 2.86 -0.59 -1.16 114.93 118.80 1brw h MET 279 Ca -0.05 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1brw h MET 279 Cb 1.48 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 1brw h MET 279 CO 0.14 0.73 0.11 0.28 1.06 0.00 0.00 176.91 179.22 1brw h VAL 280 N 0.17 1.19 -0.19 -2.22 2.07 -1.21 -1.67 116.25 114.38 1brw h VAL 280 Ca 0.05 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1brw h VAL 280 Cb 0.59 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1brw h VAL 280 CO 0.03 0.20 0.11 0.22 0.02 0.00 0.00 177.57 178.15 1brw h TYR 281 N 0.32 0.25 0.00 1.57 3.20 -1.37 -1.49 116.97 119.45 1brw h TYR 281 Ca 0.10 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1brw h TYR 281 Cb 0.21 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1brw h TYR 281 CO -0.00 0.22 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.48 1brw h LEU 282 N 0.22 0.00 -0.74 2.82 3.38 -1.12 -1.17 115.31 118.70 1brw h LEU 282 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1brw h LEU 282 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1brw h LEU 282 CO -0.01 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1brw n ALA 283 N -2.30 2.56 -2.35 1.53 0.00 -0.64 -4.92 120.51 114.39 1brw n ALA 283 Ca -0.01 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 1brw n ALA 283 Cb 0.31 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1brw n ALA 283 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1brw n GLU 284 N -0.06 -1.61 -0.18 0.00 1.02 -0.44 -4.66 120.64 114.71 1brw n GLU 284 Ca 0.16 0.99 0.10 0.00 -0.02 0.00 0.00 57.16 58.39 1brw n GLU 284 Cb 0.25 -5.61 0.27 0.00 -0.02 0.00 0.00 31.44 26.33 1brw n GLU 284 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1brw n LYS 285 N -2.92 2.10 -3.62 3.49 4.76 -0.59 -4.86 118.16 116.51 1brw n LYS 285 Ca -0.24 -1.68 -0.11 0.00 -2.87 0.00 0.00 58.31 53.41 1brw n LYS 285 Cb 0.68 -1.42 -0.07 0.00 -1.84 0.00 0.00 35.03 32.39 1brw n LYS 285 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1brw s ALA 286 N -1.52 -1.92 0.48 7.82 0.00 -1.26 -4.98 121.76 120.39 1brw s ALA 286 Ca 0.34 1.82 0.15 0.00 0.00 0.00 0.00 51.96 54.27 1brw s ALA 286 Cb 0.18 -1.17 1.14 0.00 0.00 0.00 0.00 23.12 23.27 1brw s ALA 286 CO 0.26 -0.28 2.07 -1.35 0.00 0.00 0.00 175.76 176.46 1brw h PRO 287 N 4.00 0.22 -3.87 0.00 0.11 -1.94 -3.42 132.00 127.11 1brw h PRO 287 Ca -0.27 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.61 1brw h PRO 287 Cb 1.17 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1brw h PRO 287 CO 0.15 0.15 -0.08 -1.54 -0.21 0.00 0.00 178.00 176.46 1brw s SER 288 N -6.66 0.71 0.20 -2.05 1.04 -1.26 -5.04 113.70 100.64 1brw s SER 288 Ca -0.06 -1.40 -0.04 0.00 0.48 0.00 0.00 55.95 54.92 1brw s SER 288 Cb 0.18 0.71 0.13 0.00 0.10 0.00 0.00 66.02 67.14 1brw s SER 288 CO 0.71 -1.39 1.55 -0.07 0.98 0.00 0.00 173.24 175.02 1brw h LEU 289 N 2.08 0.71 -0.47 2.42 3.38 -1.90 -1.44 115.31 120.09 1brw h LEU 289 Ca -0.29 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 1brw h LEU 289 Cb 1.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1brw h LEU 289 CO 0.39 1.04 -0.11 -0.78 0.09 0.00 0.00 178.44 179.06 1brw h ASP 290 N 0.54 0.91 -0.37 -0.43 3.58 -1.96 -1.38 116.42 117.30 1brw h ASP 290 Ca 0.04 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 57.00 1brw h ASP 290 Cb 0.96 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1brw h ASP 290 CO 0.09 1.06 -0.26 -0.08 -2.88 0.00 0.00 179.24 177.17 1brw h GLU 291 N 0.75 0.83 -0.96 0.28 4.81 -1.95 -2.50 114.58 115.84 1brw h GLU 291 Ca 0.12 -0.40 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1brw h GLU 291 Cb 0.66 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 1brw h GLU 291 CO 0.05 1.04 0.63 0.00 -0.73 0.00 0.00 179.01 180.00 1brw h ALA 292 N 0.78 1.35 -0.22 2.92 0.00 -1.13 -2.34 119.26 120.62 1brw h ALA 292 Ca 0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1brw h ALA 292 Cb 0.83 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1brw h ALA 292 CO 0.07 0.58 -0.49 -0.09 0.00 0.00 0.00 179.25 179.32 1brw h ARG 293 N 1.25 0.58 -0.64 0.00 2.43 -1.12 -2.63 114.38 114.25 1brw h ARG 293 Ca 0.37 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1brw h ARG 293 Cb -0.07 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1brw h ARG 293 CO -0.10 0.94 0.26 -0.09 -1.51 0.00 0.00 179.97 179.47 1brw h ARG 294 N 0.46 0.94 0.00 0.20 2.43 -1.03 -0.31 114.38 117.08 1brw h ARG 294 Ca 0.02 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1brw h ARG 294 Cb 1.02 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1brw h ARG 294 CO 0.09 0.77 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.25 1brw h LEU 295 N 0.93 -0.00 -0.66 3.80 3.38 -1.28 -1.17 115.31 120.30 1brw h LEU 295 Ca 0.22 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1brw h LEU 295 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1brw h LEU 295 CO -0.02 0.19 0.41 -0.07 0.09 0.00 0.00 178.44 179.04 1brw h LEU 296 N -0.20 0.67 -1.09 1.67 3.38 -1.14 0.13 115.31 118.73 1brw h LEU 296 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1brw h LEU 296 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1brw h LEU 296 CO 0.00 0.46 0.02 -0.33 0.09 0.00 0.00 178.44 178.68 1brw h GLU 297 N 0.80 0.66 -0.15 1.13 5.08 -0.95 -1.95 114.58 119.21 1brw h GLU 297 Ca 0.27 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 1brw h GLU 297 Cb 0.03 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1brw h GLU 297 CO -0.11 0.67 -0.65 1.49 -1.00 0.00 0.00 179.01 179.40 1brw h GLU 298 N 0.63 0.56 -0.25 2.33 4.22 -0.48 -2.22 114.58 119.36 1brw h GLU 298 Ca 0.13 -0.40 -0.03 0.00 0.08 0.00 0.00 59.36 59.13 1brw h GLU 298 Cb 0.37 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1brw h GLU 298 CO 0.01 1.02 0.00 0.00 -2.18 0.00 0.00 179.01 177.87 1brw h ALA 299 N 0.88 1.54 -0.00 2.92 0.00 -0.27 0.69 119.26 125.01 1brw h ALA 299 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1brw h ALA 299 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1brw h ALA 299 CO 0.12 0.34 -0.04 0.82 0.00 0.00 0.00 179.25 180.48 1brw h ILE 300 N 0.36 1.60 -0.50 0.00 2.04 -1.26 -0.98 117.51 118.77 1brw h ILE 300 Ca 0.08 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 1brw h ILE 300 Cb 0.24 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1brw h ILE 300 CO 0.01 0.48 0.18 -0.09 0.00 0.00 0.00 178.15 178.73 1brw h ARG 301 N -0.71 0.72 -0.14 2.37 2.43 -1.20 -3.04 114.38 114.81 1brw h ARG 301 Ca -0.01 -0.11 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 1brw h ARG 301 Cb 0.81 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1brw h ARG 301 CO 0.01 0.61 -0.78 0.66 -1.51 0.00 0.00 179.97 178.96 1brw h SER 302 N 0.72 0.92 0.00 -3.80 4.64 -0.98 -3.48 113.55 111.58 1brw h SER 302 Ca 0.17 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1brw h SER 302 Cb 0.17 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1brw h SER 302 CO -0.01 1.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.97 1brw n GLY 303 N 0.74 1.04 0.19 -0.77 0.00 -1.14 -5.00 105.19 100.26 1brw n GLY 303 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1brw n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brw h ALA 304 N 0.00 1.08 -0.31 4.61 0.00 -1.65 -2.73 119.26 120.25 1brw h ALA 304 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1brw h ALA 304 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1brw h ALA 304 CO 0.00 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.88 1brw h ALA 305 N 1.36 0.41 0.00 0.00 0.00 -1.50 -1.53 119.26 117.99 1brw h ALA 305 Ca 0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1brw h ALA 305 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1brw h ALA 305 CO 0.07 0.15 -0.43 0.97 0.00 0.00 0.00 179.25 180.00 1brw h ILE 306 N 0.34 0.99 -0.30 0.00 6.09 -1.74 -2.87 117.51 120.02 1brw h ILE 306 Ca 0.09 -1.69 -0.13 0.00 -1.37 0.00 0.00 64.86 61.76 1brw h ILE 306 Cb 0.41 2.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.70 1brw h ILE 306 CO 0.01 0.42 -0.33 0.00 -3.07 0.00 0.00 178.15 175.19 1brw h ALA 307 N 1.57 0.45 0.00 0.18 0.00 -1.33 -2.77 119.26 117.35 1brw h ALA 307 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1brw h ALA 307 Cb 0.97 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1brw h ALA 307 CO 0.06 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.65 1brw h ALA 308 N 0.71 1.20 -0.08 0.00 0.00 -1.18 -2.60 119.26 117.31 1brw h ALA 308 Ca 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1brw h ALA 308 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1brw h ALA 308 CO 0.08 0.20 -0.12 0.35 0.00 0.00 0.00 179.25 179.76 1brw h PHE 309 N 0.00 0.27 -0.66 0.00 3.57 -1.28 -1.66 116.94 117.19 1brw h PHE 309 Ca -0.00 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1brw h PHE 309 Cb 0.47 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1brw h PHE 309 CO 0.00 0.70 0.43 0.87 -2.23 0.00 0.00 178.31 178.09 1brw h LYS 310 N -0.23 0.86 -0.75 1.11 1.57 -1.30 0.57 116.57 118.39 1brw h LYS 310 Ca 0.01 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1brw h LYS 310 Cb 0.68 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1brw h LYS 310 CO 0.03 0.57 0.26 1.15 -0.57 0.00 0.00 179.45 180.89 1brw h THR 311 N 0.88 1.26 -0.35 -0.16 2.02 -1.50 -0.89 112.91 114.17 1brw h THR 311 Ca 0.24 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1brw h THR 311 Cb -0.09 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1brw h THR 311 CO -0.06 0.34 0.23 0.15 0.37 0.00 0.00 175.52 176.55 1brw h PHE 312 N 1.09 0.45 0.73 3.16 3.57 -0.64 -1.72 116.94 123.57 1brw h PHE 312 Ca 0.24 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1brw h PHE 312 Cb 0.26 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.86 1brw h PHE 312 CO 0.02 0.29 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.97 1brw h LEU 313 N 0.48 -0.83 -1.37 0.59 3.38 -0.46 -3.16 115.31 113.94 1brw h LEU 313 Ca 0.13 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1brw h LEU 313 Cb -0.05 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1brw h LEU 313 CO -0.03 -0.56 0.47 0.00 0.09 0.00 0.00 178.44 178.42 1brw h ALA 314 N -0.79 1.67 0.00 1.53 0.00 -1.16 0.23 119.26 120.74 1brw h ALA 314 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1brw h ALA 314 Cb 0.76 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1brw h ALA 314 CO 0.16 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 1brw h ALA 315 N 1.60 1.39 -0.24 0.00 0.00 -1.27 -2.30 119.26 118.44 1brw h ALA 315 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1brw h ALA 315 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1brw h ALA 315 CO -0.10 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.21 1brw n GLN 316 N -3.67 2.74 -0.02 0.00 6.02 -0.92 -4.94 117.38 116.59 1brw n GLN 316 Ca -0.03 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 1brw n GLN 316 Cb 0.11 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.73 1brw n GLN 316 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1brw n GLY 317 N -0.37 0.33 3.77 1.08 0.00 -0.86 -0.24 105.19 108.89 1brw n GLY 317 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1brw n GLY 317 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1brw s GLY 318 N -1.49 2.80 -0.96 -0.02 0.00 0.75 -3.78 107.32 104.64 1brw s GLY 318 Ca 0.00 0.98 -0.21 0.00 0.00 0.00 0.00 44.72 45.49 1brw s GLY 318 CO 0.00 1.45 1.27 -0.35 0.00 0.00 0.00 173.10 175.48 1brw s ASP 319 N -1.28 6.54 0.58 1.64 -1.08 -0.33 -3.30 116.67 119.44 1brw s ASP 319 Ca 0.63 -1.69 0.30 0.00 -0.52 0.00 0.00 52.55 51.27 1brw s ASP 319 Cb -0.30 -2.48 1.62 0.00 -1.46 0.00 0.00 42.92 40.30 1brw s ASP 319 CO 0.37 -1.30 1.90 0.00 0.52 0.00 0.00 175.17 176.65 1brw h ALA 320 N 9.34 1.20 0.00 3.66 0.00 -1.89 -2.87 119.26 128.70 1brw h ALA 320 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1brw h ALA 320 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1brw h ALA 320 CO 1.26 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 179.18 1brw n SER 321 N -2.73 0.00 0.02 0.00 3.41 -1.26 -2.88 113.62 110.18 1brw n SER 321 Ca -0.02 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.64 1brw n SER 321 Cb 0.27 -0.24 0.45 0.00 -0.26 0.00 0.00 64.21 64.43 1brw n SER 321 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1brw n VAL 322 N -1.24 0.58 -0.04 -3.33 0.24 -1.08 -2.80 118.33 110.66 1brw n VAL 322 Ca 0.09 0.11 -0.15 0.00 -2.04 0.00 0.00 64.34 62.35 1brw n VAL 322 Cb 0.12 -0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 31.61 1brw n VAL 322 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1brw h VAL 323 N 0.00 1.40 -0.02 3.34 2.07 -1.81 -2.85 116.25 118.38 1brw h VAL 323 Ca 0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1brw h VAL 323 Cb 0.39 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1brw h VAL 323 CO 0.00 0.48 -0.05 0.47 0.02 0.00 0.00 177.57 178.49 1brw n ASP 324 N -4.42 2.31 -3.23 0.57 8.00 -1.23 -4.49 116.55 114.06 1brw n ASP 324 Ca -0.08 -1.74 -0.23 0.00 0.71 0.00 0.00 54.79 53.46 1brw n ASP 324 Cb 0.49 0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 1brw n ASP 324 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1brw n ASP 325 N 0.74 -0.60 0.14 -2.24 2.03 -1.12 -5.00 116.55 110.49 1brw n ASP 325 Ca 0.15 -2.59 0.19 0.00 0.52 0.00 0.00 54.79 53.07 1brw n ASP 325 Cb 0.49 -0.27 0.75 0.00 -0.72 0.00 0.00 41.12 41.37 1brw n ASP 325 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1brw h LEU 326 N 4.86 0.00 -0.96 -2.67 3.38 -1.73 -2.09 115.31 116.10 1brw h LEU 326 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1brw h LEU 326 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1brw h LEU 326 CO 0.38 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.38 1brw n ASP 327 N -3.56 0.63 0.00 -0.43 9.92 -1.26 -1.59 116.55 120.26 1brw n ASP 327 Ca 0.06 0.70 0.13 0.00 -0.53 0.00 0.00 54.79 55.14 1brw n ASP 327 Cb 0.58 -0.82 0.56 0.00 -0.64 0.00 0.00 41.12 40.81 1brw n ASP 327 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1brw n LYS 328 N -2.25 0.01 -3.03 -1.24 5.02 -0.78 -4.78 118.16 111.11 1brw n LYS 328 Ca 0.01 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 1brw n LYS 328 Cb 0.16 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1brw n LYS 328 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1brw s LEU 329 N -3.05 4.29 -0.10 -0.35 1.43 -0.62 -4.89 118.68 115.39 1brw s LEU 329 Ca 0.13 1.50 -0.40 0.00 -1.03 0.00 0.00 54.13 54.33 1brw s LEU 329 Cb 0.17 -3.77 -0.18 0.00 0.03 0.00 0.00 46.19 42.44 1brw s LEU 329 CO 0.49 -0.03 1.41 -2.65 0.23 0.00 0.00 176.35 175.80 1brw n PRO 330 N 0.50 0.75 -4.71 1.29 -0.02 -1.26 -4.97 135.00 126.58 1brw n PRO 330 Ca -0.00 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1brw n PRO 330 Cb 0.51 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 1brw n PRO 330 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1brw s LYS 331 N 1.44 2.45 0.07 -0.52 2.20 -1.26 -4.59 119.74 119.53 1brw s LYS 331 Ca 0.92 -0.75 -0.24 0.00 -0.36 0.00 0.00 55.97 55.54 1brw s LYS 331 Cb -1.12 -2.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1brw s LYS 331 CO 0.58 0.60 0.73 0.00 -0.36 0.00 0.00 175.35 176.90 1brw s ALA 332 N -0.85 3.43 0.42 3.13 0.00 -1.26 -4.93 121.76 121.70 1brw s ALA 332 Ca 0.14 0.25 0.15 0.00 0.00 0.00 0.00 51.96 52.49 1brw s ALA 332 Cb -0.11 -2.92 0.95 0.00 0.00 0.00 0.00 23.12 21.05 1brw s ALA 332 CO 0.03 0.17 1.95 0.00 0.00 0.00 0.00 175.76 177.92 1brw h ALA 333 N 5.18 1.58 -3.62 0.00 0.00 -1.86 -3.45 119.26 117.10 1brw h ALA 333 Ca -0.46 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 1brw h ALA 333 Cb 1.21 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 1brw h ALA 333 CO 0.69 0.29 -0.83 0.71 0.00 0.00 0.00 179.25 180.11 1brw s TYR 334 N -4.48 1.90 -0.02 0.00 2.02 0.22 -5.00 117.35 111.99 1brw s TYR 334 Ca -0.03 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.25 1brw s TYR 334 Cb 0.15 -1.03 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1brw s TYR 334 CO 0.70 0.25 0.04 0.95 -1.57 0.00 0.00 175.55 175.92 1brw s THR 335 N -1.26 -0.05 0.07 -0.71 -4.23 -1.25 0.04 115.64 108.24 1brw s THR 335 Ca 0.09 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1brw s THR 335 Cb -0.09 -0.08 -0.00 0.00 1.34 0.00 0.00 72.50 73.66 1brw s THR 335 CO 0.05 0.07 0.18 -0.94 -0.54 0.00 0.00 174.62 173.44 1brw s SER 336 N 0.90 0.11 0.40 3.99 1.04 -0.82 -4.96 113.70 114.35 1brw s SER 336 Ca -0.07 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1brw s SER 336 Cb -0.11 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 1brw s SER 336 CO -0.03 -0.65 0.14 0.42 0.98 0.00 0.00 173.24 174.11 1brw s THR 337 N -3.30 2.41 -0.20 2.02 -4.23 -1.26 0.24 115.64 111.32 1brw s THR 337 Ca 0.01 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1brw s THR 337 Cb 0.02 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.93 1brw s THR 337 CO -0.08 -0.05 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.14 1brw s VAL 338 N -2.58 1.77 0.19 2.29 1.01 -0.44 -4.95 120.40 117.68 1brw s VAL 338 Ca 0.40 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1brw s VAL 338 Cb 0.03 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1brw s VAL 338 CO 0.22 0.24 0.36 0.42 0.00 0.00 0.00 175.10 176.33 1brw s THR 339 N 1.35 5.25 0.13 3.92 -4.23 -1.26 -0.24 115.64 120.57 1brw s THR 339 Ca -0.00 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 59.67 1brw s THR 339 Cb -0.16 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 69.86 1brw s THR 339 CO -0.09 -0.17 1.22 0.00 -0.54 0.00 0.00 174.62 175.04 1brw s ALA 340 N -1.85 3.44 0.09 3.99 0.00 0.10 -4.87 121.76 122.67 1brw s ALA 340 Ca 0.37 0.94 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 1brw s ALA 340 Cb -0.11 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 1brw s ALA 340 CO 0.29 -0.42 1.70 0.00 0.00 0.00 0.00 175.76 177.32 1brw h ALA 341 N 5.97 -0.25 -2.71 0.00 0.00 -1.91 0.49 119.26 120.85 1brw h ALA 341 Ca -0.43 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1brw h ALA 341 Cb 1.21 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 1brw h ALA 341 CO 0.78 -0.65 -0.31 0.00 0.00 0.00 0.00 179.25 179.07 1brw s ALA 342 N -6.15 0.19 0.70 0.00 0.00 -1.26 -4.54 121.76 110.70 1brw s ALA 342 Ca -0.14 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1brw s ALA 342 Cb 0.06 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.28 1brw s ALA 342 CO 0.65 -0.72 1.23 -0.25 0.00 0.00 0.00 175.76 176.67 1brw n ASP 343 N -0.30 1.60 0.00 0.00 9.92 -1.26 -4.21 116.55 122.29 1brw n ASP 343 Ca -0.02 0.75 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 1brw n ASP 343 Cb 0.63 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1brw n ASP 343 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1brw n GLY 344 N 0.85 -0.11 2.91 0.44 0.00 -0.39 -4.75 105.19 104.13 1brw n GLY 344 Ca 0.15 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 1brw n GLY 344 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1brw s TYR 345 N -4.00 0.47 0.20 1.61 1.51 0.12 -0.54 117.35 116.72 1brw s TYR 345 Ca 0.00 -0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 55.66 1brw s TYR 345 Cb 0.00 -0.39 -0.10 0.00 -0.11 0.00 0.00 41.96 41.35 1brw s TYR 345 CO 0.00 -0.08 1.54 0.08 -1.11 0.00 0.00 175.55 175.98 1brw s VAL 346 N 0.38 2.58 -0.00 0.71 1.01 -0.52 -0.64 120.40 123.92 1brw s VAL 346 Ca -0.04 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1brw s VAL 346 Cb -0.08 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1brw s VAL 346 CO -0.00 0.05 0.01 0.00 0.00 0.00 0.00 175.10 175.15 1brw n ALA 347 N 3.38 2.01 -3.07 5.51 0.00 0.28 -0.88 120.51 127.75 1brw n ALA 347 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1brw n ALA 347 Cb 0.39 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 1brw n ALA 347 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1brw s GLU 348 N -2.04 0.37 -0.45 0.00 2.02 -1.00 -4.94 118.70 112.66 1brw s GLU 348 Ca -0.00 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 54.80 1brw s GLU 348 Cb 0.00 0.15 0.33 0.00 0.10 0.00 0.00 34.13 34.72 1brw s GLU 348 CO 0.03 -0.08 1.13 -0.12 0.02 0.00 0.00 175.26 176.25 1brw n MET 349 N 1.92 1.04 -1.35 1.61 1.56 -1.18 -2.82 117.12 117.91 1brw n MET 349 Ca -0.20 -2.00 -0.61 0.00 -0.27 0.00 0.00 57.70 54.62 1brw n MET 349 Cb 0.56 -0.92 -0.12 0.00 2.15 0.00 0.00 33.22 34.90 1brw n MET 349 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1brw n ALA 350 N 0.21 -0.06 -0.26 -5.12 0.00 -0.91 -4.21 120.51 110.17 1brw n ALA 350 Ca 0.06 0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 1brw n ALA 350 Cb 0.72 -2.06 0.07 0.00 0.00 0.00 0.00 19.45 18.18 1brw n ALA 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1brw h ALA 351 N 8.32 0.94 -0.76 0.00 0.00 -1.64 -2.12 119.26 124.00 1brw h ALA 351 Ca -0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1brw h ALA 351 Cb 1.41 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1brw h ALA 351 CO 1.07 0.29 0.42 0.38 0.00 0.00 0.00 179.25 181.41 1brw h ASP 352 N 0.94 0.94 -0.17 0.00 2.03 -1.87 0.26 116.42 118.55 1brw h ASP 352 Ca 0.28 -0.08 -0.05 0.00 -0.73 0.00 0.00 57.03 56.46 1brw h ASP 352 Cb -0.05 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.21 1brw h ASP 352 CO -0.08 0.76 -0.07 0.44 -1.03 0.00 0.00 179.24 179.25 1brw h ASP 353 N 1.06 0.36 -0.93 4.15 3.32 -1.83 -0.81 116.42 121.74 1brw h ASP 353 Ca 0.27 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1brw h ASP 353 Cb 0.02 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1brw h ASP 353 CO -0.04 0.68 0.56 0.40 -1.72 0.00 0.00 179.24 179.11 1brw h ILE 354 N 0.04 1.26 -0.83 0.35 1.08 -1.07 -0.51 117.51 117.82 1brw h ILE 354 Ca 0.04 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1brw h ILE 354 Cb 0.53 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 1brw h ILE 354 CO 0.02 0.27 0.48 1.23 -0.69 0.00 0.00 178.15 179.46 1brw h GLY 355 N 1.29 1.22 1.42 5.37 0.00 -0.26 -1.56 103.07 110.54 1brw h GLY 355 Ca 0.33 -0.53 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 1brw h GLY 355 CO -0.06 0.51 -0.57 -0.84 0.00 0.00 0.00 176.54 175.58 1brw h THR 356 N 1.15 1.32 -0.71 4.70 2.02 -0.62 -2.53 112.91 118.23 1brw h THR 356 Ca 0.30 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 1brw h THR 356 Cb -0.01 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1brw h THR 356 CO -0.05 0.57 0.36 0.00 0.37 0.00 0.00 175.52 176.76 1brw h ALA 357 N 0.90 0.92 -0.71 6.16 0.00 -0.65 -1.20 119.26 124.68 1brw h ALA 357 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1brw h ALA 357 Cb 1.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1brw h ALA 357 CO 0.11 0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.98 1brw h ALA 358 N 1.17 0.94 -0.74 0.00 0.00 -1.24 -2.35 119.26 117.05 1brw h ALA 358 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1brw h ALA 358 Cb 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1brw h ALA 358 CO -0.03 0.67 0.43 1.98 0.00 0.00 0.00 179.25 182.30 1brw h MET 359 N 1.08 1.02 -0.01 0.00 -1.53 -0.98 -1.90 114.93 112.60 1brw h MET 359 Ca 0.22 -0.10 -0.07 0.00 -3.44 0.00 0.00 59.70 56.31 1brw h MET 359 Cb 0.40 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.23 1brw h MET 359 CO 0.01 0.73 -0.32 -1.49 0.14 0.00 0.00 176.91 175.98 1brw h TRP 360 N 1.02 0.02 0.00 1.39 6.55 -0.94 -1.95 115.95 122.03 1brw h TRP 360 Ca 0.26 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.10 1brw h TRP 360 Cb -0.01 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.29 1brw h TRP 360 CO -0.01 0.33 0.00 1.25 -1.05 0.00 0.00 178.44 178.96 1brw h LEU 361 N 0.01 0.00 0.00 -4.49 5.85 -0.84 -3.46 115.31 112.38 1brw h LEU 361 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1brw h LEU 361 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1brw h LEU 361 CO 0.04 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1brw n GLY 362 N -0.04 0.92 0.63 3.75 0.00 -0.73 -4.83 105.19 104.90 1brw n GLY 362 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1brw n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brw n ALA 363 N -0.55 2.57 -3.63 4.61 0.00 -0.80 -0.42 120.51 122.29 1brw n ALA 363 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1brw n ALA 363 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1brw n ALA 363 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1brw s GLY 364 N -0.86 0.07 0.00 0.00 0.00 -1.25 -4.75 107.32 100.53 1brw s GLY 364 Ca 0.20 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.54 1brw s GLY 364 CO 0.12 -0.24 -0.23 1.09 0.00 0.00 0.00 173.10 173.84 1brw s ARG 365 N -3.94 1.74 0.05 2.90 1.70 -1.26 -4.85 118.95 115.29 1brw s ARG 365 Ca 0.14 -0.87 -0.16 0.00 -0.47 0.00 0.00 55.73 54.37 1brw s ARG 365 Cb -0.04 -1.74 -0.23 0.00 -0.57 0.00 0.00 34.95 32.37 1brw s ARG 365 CO 0.07 0.47 1.16 0.00 -1.08 0.00 0.00 175.30 175.92 1brw h ALA 366 N 5.34 0.12 -2.21 7.88 0.00 -1.93 -0.70 119.26 127.76 1brw h ALA 366 Ca -0.42 -0.65 -0.44 0.00 0.00 0.00 0.00 54.91 53.41 1brw h ALA 366 Cb 1.14 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1brw h ALA 366 CO 0.46 0.57 -0.73 -1.59 0.00 0.00 0.00 179.25 177.96 1brw s LYS 367 N -3.30 1.31 0.34 0.00 -2.85 -1.26 -4.62 119.74 109.36 1brw s LYS 367 Ca -0.11 -1.59 0.10 0.00 -1.00 0.00 0.00 55.97 53.38 1brw s LYS 367 Cb 0.06 -1.07 0.87 0.00 -2.06 0.00 0.00 37.83 35.63 1brw s LYS 367 CO 0.89 0.16 1.79 1.57 0.10 0.00 0.00 175.35 179.86 1brw h LYS 368 N 2.57 0.61 0.00 1.78 2.10 -1.94 -2.58 116.57 119.11 1brw h LYS 368 Ca -0.38 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1brw h LYS 368 Cb 1.22 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1brw h LYS 368 CO 0.62 0.41 0.00 0.39 -2.00 0.00 0.00 179.45 178.87 1brw n GLU 369 N -4.70 0.03 -2.36 0.07 1.02 -1.26 -4.89 120.64 108.56 1brw n GLU 369 Ca 0.23 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 57.04 1brw n GLU 369 Cb 0.65 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 1brw n GLU 369 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1brw s ASP 370 N -3.18 6.69 0.22 1.62 1.01 -0.97 -5.05 116.67 117.01 1brw s ASP 370 Ca 0.13 2.30 -0.16 0.00 0.71 0.00 0.00 52.55 55.52 1brw s ASP 370 Cb 0.17 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 1brw s ASP 370 CO 0.51 -0.55 0.66 -0.69 0.21 0.00 0.00 175.17 175.31 1brw s VAL 371 N -1.40 4.70 0.00 -1.27 1.01 -1.26 -4.89 120.40 117.30 1brw s VAL 371 Ca 0.55 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1brw s VAL 371 Cb -0.30 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1brw s VAL 371 CO 0.38 0.11 0.07 -0.63 0.00 0.00 0.00 175.10 175.03 1brw s ILE 372 N -1.63 4.65 -0.60 2.22 -1.09 -1.26 -4.90 121.20 118.59 1brw s ILE 372 Ca 0.44 -0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 58.22 1brw s ILE 372 Cb -0.14 -3.13 0.11 0.00 -1.58 0.00 0.00 42.46 37.72 1brw s ILE 372 CO 0.20 0.34 0.69 -0.62 -1.23 0.00 0.00 174.94 174.31 1brw s ASP 373 N -1.77 6.21 0.24 3.58 -1.08 0.44 -4.94 116.67 119.35 1brw s ASP 373 Ca 0.23 -1.54 0.16 0.00 -0.52 0.00 0.00 52.55 50.88 1brw s ASP 373 Cb -0.12 -2.29 0.87 0.00 -1.46 0.00 0.00 42.92 39.92 1brw s ASP 373 CO 0.14 -1.06 1.49 0.18 0.52 0.00 0.00 175.17 176.44 1brw n LEU 374 N 6.11 0.41 0.00 -1.34 4.77 -1.26 -3.17 117.00 122.53 1brw n LEU 374 Ca -0.09 0.69 -0.04 0.00 -0.03 0.00 0.00 56.01 56.55 1brw n LEU 374 Cb 0.42 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1brw n LEU 374 CO 0.57 -0.83 -0.45 0.00 -1.33 0.00 0.00 177.39 175.35 1brw n ALA 375 N -1.71 1.76 -1.97 -1.18 0.00 -1.26 -1.98 120.51 114.17 1brw n ALA 375 Ca -0.01 -0.68 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 1brw n ALA 375 Cb 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.64 1brw n ALA 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1brw s VAL 376 N -2.78 4.03 -5.00 0.00 -7.23 -1.19 -4.20 120.40 104.02 1brw s VAL 376 Ca -0.04 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1brw s VAL 376 Cb 0.08 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.40 1brw s VAL 376 CO 0.82 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 1brw n GLY 377 N -2.76 -0.65 2.93 2.32 0.00 -0.86 -4.39 105.19 101.78 1brw n GLY 377 Ca 0.05 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1brw n GLY 377 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1brw s ILE 378 N -2.99 0.52 -0.28 -0.61 1.01 -0.47 -1.03 121.20 117.36 1brw s ILE 378 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1brw s ILE 378 Cb 0.00 -0.50 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1brw s ILE 378 CO 0.00 0.19 -0.02 -0.69 0.00 0.00 0.00 174.94 174.42 1brw s VAL 379 N 0.43 3.04 0.53 2.92 1.01 -0.46 -0.82 120.40 127.05 1brw s VAL 379 Ca -0.05 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.61 1brw s VAL 379 Cb -0.09 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 1brw s VAL 379 CO -0.00 0.06 1.03 -0.76 0.00 0.00 0.00 175.10 175.42 1brw s LEU 380 N 1.31 3.68 -0.00 3.92 1.43 0.30 -0.79 118.68 128.53 1brw s LEU 380 Ca -0.02 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1brw s LEU 380 Cb -0.18 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 1brw s LEU 380 CO -0.02 -0.84 0.13 1.41 0.23 0.00 0.00 176.35 177.26 1brw n HIS 381 N -1.46 0.00 -3.98 0.29 8.25 -0.62 -4.77 115.22 112.93 1brw n HIS 381 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 1brw n HIS 381 Cb 0.53 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 1brw n HIS 381 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1brw s LYS 382 N -1.43 0.57 0.31 -0.41 -0.14 -1.24 -5.00 119.74 112.39 1brw s LYS 382 Ca 0.01 -0.87 0.03 0.00 -1.36 0.00 0.00 55.97 53.78 1brw s LYS 382 Cb 0.02 0.21 -0.06 0.00 -1.68 0.00 0.00 37.83 36.33 1brw s LYS 382 CO 0.14 -0.13 0.06 0.15 -0.76 0.00 0.00 175.35 174.81 1brw s LYS 383 N -2.87 1.60 -0.12 1.68 -0.14 -1.26 -5.03 119.74 113.60 1brw s LYS 383 Ca -0.03 -1.88 -0.36 0.00 -1.36 0.00 0.00 55.97 52.34 1brw s LYS 383 Cb 0.00 -0.75 -0.13 0.00 -1.68 0.00 0.00 37.83 35.27 1brw s LYS 383 CO -0.06 -0.21 1.78 -0.89 -0.76 0.00 0.00 175.35 175.22 1brw n ILE 384 N -0.64 0.41 0.00 2.17 5.41 -1.26 -1.66 119.36 123.79 1brw n ILE 384 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1brw n ILE 384 Cb 0.67 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 1brw n ILE 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1brw n GLY 385 N 4.16 2.41 3.76 7.39 0.00 -0.05 -4.72 105.19 118.14 1brw n GLY 385 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1brw n GLY 385 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brw s ASP 386 N -1.16 6.94 0.28 1.61 1.11 -0.67 -4.67 116.67 120.12 1brw s ASP 386 Ca 0.00 2.44 -0.28 0.00 0.18 0.00 0.00 52.55 54.89 1brw s ASP 386 Cb 0.00 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.26 1brw s ASP 386 CO 0.00 -0.39 0.95 -0.60 1.18 0.00 0.00 175.17 176.31 1brw s ARG 387 N -1.74 4.72 0.07 8.23 3.52 -1.26 -1.43 118.95 131.06 1brw s ARG 387 Ca 0.48 1.44 0.05 0.00 -0.13 0.00 0.00 55.73 57.57 1brw s ARG 387 Cb -0.35 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1brw s ARG 387 CO 0.45 0.39 -0.13 0.14 -0.81 0.00 0.00 175.30 175.34 1brw s VAL 388 N -1.37 1.03 0.01 7.11 -7.23 0.30 -4.94 120.40 115.31 1brw s VAL 388 Ca 0.45 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1brw s VAL 388 Cb -0.23 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 1brw s VAL 388 CO 0.29 -0.25 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.72 1brw s GLN 389 N -1.73 2.73 0.07 4.82 -0.21 -1.26 -1.26 119.66 122.82 1brw s GLN 389 Ca -0.03 -0.65 -0.32 0.00 0.02 0.00 0.00 55.36 54.38 1brw s GLN 389 Cb -0.10 -2.64 -0.11 0.00 1.00 0.00 0.00 33.01 31.17 1brw s GLN 389 CO 0.02 0.61 1.84 1.17 -2.12 0.00 0.00 175.29 176.81 1brw n LYS 390 N 1.32 2.61 -0.18 2.91 4.81 -1.26 -1.37 118.16 127.00 1brw n LYS 390 Ca -0.14 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1brw n LYS 390 Cb 0.53 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1brw n LYS 390 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1brw n GLY 391 N 4.22 0.65 3.77 3.14 0.00 0.16 -4.94 105.19 112.20 1brw n GLY 391 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1brw n GLY 391 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1brw s GLU 392 N -0.76 4.62 0.19 1.61 2.12 -0.47 -4.66 118.70 121.35 1brw s GLU 392 Ca 0.00 1.22 -0.31 0.00 0.36 0.00 0.00 54.97 56.24 1brw s GLU 392 Cb 0.00 -3.27 -0.10 0.00 0.26 0.00 0.00 34.13 31.02 1brw s GLU 392 CO 0.00 0.54 1.52 0.00 -0.54 0.00 0.00 175.26 176.78 1brw s ALA 393 N -1.07 3.72 -0.11 6.30 0.00 -1.26 -0.72 121.76 128.62 1brw s ALA 393 Ca 0.37 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.78 1brw s ALA 393 Cb -0.24 -3.60 -0.17 0.00 0.00 0.00 0.00 23.12 19.12 1brw s ALA 393 CO 0.27 -0.76 0.29 1.28 0.00 0.00 0.00 175.76 176.85 1brw n LEU 394 N 3.49 0.09 -3.58 0.00 4.77 0.67 -4.75 117.00 117.69 1brw n LEU 394 Ca 0.12 -0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1brw n LEU 394 Cb 0.39 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1brw n LEU 394 CO 0.61 0.02 0.72 0.00 -1.33 0.00 0.00 177.39 177.42 1brw s ALA 395 N -2.66 -1.92 -0.09 -1.18 0.00 -1.19 -1.59 121.76 113.13 1brw s ALA 395 Ca -0.03 1.60 0.03 0.00 0.00 0.00 0.00 51.96 53.57 1brw s ALA 395 Cb 0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1brw s ALA 395 CO 0.47 -0.31 -0.20 0.99 0.00 0.00 0.00 175.76 176.72 1brw s THR 396 N -0.90 2.44 -0.18 0.00 2.01 0.03 -1.33 115.64 117.71 1brw s THR 396 Ca -0.02 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 1brw s THR 396 Cb -0.01 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1brw s THR 396 CO 0.02 0.56 0.28 -0.63 -0.69 0.00 0.00 174.62 174.15 1brw s ILE 397 N 0.09 5.31 -0.28 1.82 1.01 0.14 -1.35 121.20 127.93 1brw s ILE 397 Ca -0.09 0.51 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 1brw s ILE 397 Cb -0.15 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1brw s ILE 397 CO 0.06 0.37 0.04 -1.00 0.00 0.00 0.00 174.94 174.41 1brw s HIS 398 N 0.63 3.12 0.17 3.97 3.76 -0.20 -1.94 115.29 124.80 1brw s HIS 398 Ca 0.15 -1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 53.97 1brw s HIS 398 Cb -0.13 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 1brw s HIS 398 CO 0.04 -0.60 0.09 -1.54 -0.85 0.00 0.00 174.74 171.88 1brw s SER 399 N 1.46 0.28 -0.18 1.40 1.04 0.11 -2.04 113.70 115.77 1brw s SER 399 Ca 0.02 -1.30 0.16 0.00 0.48 0.00 0.00 55.95 55.31 1brw s SER 399 Cb -0.17 0.33 0.45 0.00 0.10 0.00 0.00 66.02 66.74 1brw s SER 399 CO 0.01 -0.78 1.34 0.59 0.98 0.00 0.00 173.24 175.38 1brw n ASN 400 N -0.19 3.18 -3.74 7.02 3.02 -1.26 0.69 115.26 123.97 1brw n ASN 400 Ca -0.02 -3.17 -0.13 0.00 -0.03 0.00 0.00 54.58 51.23 1brw n ASN 400 Cb 0.65 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1brw n ASN 400 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1brw s ARG 401 N -2.92 0.43 0.42 3.52 1.70 -1.26 -4.93 118.95 115.92 1brw s ARG 401 Ca 0.39 0.55 0.26 0.00 -0.47 0.00 0.00 55.73 56.47 1brw s ARG 401 Cb 0.33 0.18 0.75 0.00 -0.57 0.00 0.00 34.95 35.64 1brw s ARG 401 CO 0.05 -0.07 1.75 -1.00 -1.08 0.00 0.00 175.30 174.95 1brw h PRO 402 N 5.76 0.00 -4.67 3.89 0.13 -2.00 -3.41 132.00 131.70 1brw h PRO 402 Ca -0.28 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.13 1brw h PRO 402 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1brw h PRO 402 CO 0.27 0.00 0.54 0.16 -0.23 0.00 0.00 178.00 178.75 1brw s ASP 403 N -5.66 6.61 -0.23 1.44 -4.77 -1.26 -4.87 116.67 107.93 1brw s ASP 403 Ca 0.06 -2.13 0.13 0.00 -3.30 0.00 0.00 52.55 47.30 1brw s ASP 403 Cb 0.08 -2.34 0.45 0.00 -1.09 0.00 0.00 42.92 40.02 1brw s ASP 403 CO 0.60 -0.94 1.19 1.33 0.70 0.00 0.00 175.17 178.05 1brw n VAL 404 N 5.08 1.96 0.03 2.11 0.24 -1.26 -4.81 118.33 121.68 1brw n VAL 404 Ca 0.17 -3.35 -0.02 0.00 -2.04 0.00 0.00 64.34 59.10 1brw n VAL 404 Cb 0.48 -0.25 0.24 0.00 -1.47 0.00 0.00 33.84 32.83 1brw n VAL 404 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1brw h LEU 405 N 1.70 0.43 -1.66 1.34 3.38 -1.99 -1.16 115.31 117.35 1brw h LEU 405 Ca 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1brw h LEU 405 Cb 1.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1brw h LEU 405 CO 0.35 0.66 -0.20 -2.24 0.09 0.00 0.00 178.44 177.10 1brw h ASP 406 N 0.38 0.00 0.01 -0.43 2.03 -2.00 -0.49 116.42 115.93 1brw h ASP 406 Ca 0.06 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.26 1brw h ASP 406 Cb 0.62 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1brw h ASP 406 CO 0.04 0.20 -0.55 0.58 -1.03 0.00 0.00 179.24 178.48 1brw h VAL 407 N 0.00 1.44 -0.87 4.15 2.07 -1.80 -3.17 116.25 118.06 1brw h VAL 407 Ca -0.00 -2.30 0.10 0.00 0.82 0.00 0.00 66.70 65.32 1brw h VAL 407 Cb 0.42 2.94 -0.06 0.00 -1.52 0.00 0.00 31.29 33.07 1brw h VAL 407 CO 0.03 0.52 0.56 0.50 0.02 0.00 0.00 177.57 179.20 1brw h LYS 408 N -0.93 0.81 -0.46 1.57 3.64 -1.10 -1.45 116.57 118.64 1brw h LYS 408 Ca -0.14 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1brw h LYS 408 Cb 1.18 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1brw h LYS 408 CO -0.06 0.53 -0.17 1.49 -2.27 0.00 0.00 179.45 178.96 1brw h GLU 409 N 0.83 0.90 -0.21 1.90 4.22 -1.21 -1.82 114.58 119.19 1brw h GLU 409 Ca 0.41 -0.35 -0.11 0.00 0.08 0.00 0.00 59.36 59.38 1brw h GLU 409 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1brw h GLU 409 CO -0.17 1.00 -0.36 -0.22 -2.18 0.00 0.00 179.01 177.08 1brw h LYS 410 N 0.79 0.45 -0.32 1.92 3.11 -1.26 -1.30 116.57 119.96 1brw h LYS 410 Ca 0.11 -0.21 -0.17 0.00 -2.81 0.00 0.00 60.65 57.58 1brw h LYS 410 Cb 0.71 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1brw h LYS 410 CO 0.05 0.75 -0.46 0.82 -2.81 0.00 0.00 179.45 177.80 1brw h ILE 411 N 0.38 1.28 -0.01 2.00 2.04 -1.22 -2.91 117.51 119.07 1brw h ILE 411 Ca 0.04 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 1brw h ILE 411 Cb 0.80 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1brw h ILE 411 CO 0.07 0.54 -0.38 -0.33 0.00 0.00 0.00 178.15 178.04 1brw h GLU 412 N 0.68 0.01 0.00 2.37 5.08 -1.05 -1.99 114.58 119.67 1brw h GLU 412 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1brw h GLU 412 Cb 1.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1brw h GLU 412 CO 0.10 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1brw h ALA 413 N 1.61 1.00 0.00 3.43 0.00 -1.06 -3.13 119.26 121.11 1brw h ALA 413 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1brw h ALA 413 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1brw h ALA 413 CO 0.05 0.00 -1.31 0.00 0.00 0.00 0.00 179.25 177.99 1brw h ALA 414 N 2.17 0.54 -2.54 0.00 0.00 -1.18 -3.48 119.26 114.77 1brw h ALA 414 Ca 0.00 -1.15 -0.54 0.00 0.00 0.00 0.00 54.91 53.22 1brw h ALA 414 Cb 0.51 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1brw h ALA 414 CO 0.00 1.40 -0.07 0.42 0.00 0.00 0.00 179.25 181.00 1brw s ILE 415 N -2.66 4.86 -0.16 0.00 1.01 -1.18 -2.14 121.20 120.92 1brw s ILE 415 Ca -0.01 0.72 -0.05 0.00 0.00 0.00 0.00 60.65 61.30 1brw s ILE 415 Cb 0.09 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.95 1brw s ILE 415 CO 0.82 0.08 0.32 -0.60 0.00 0.00 0.00 174.94 175.56 1brw s ARG 416 N -2.39 0.21 0.22 2.79 3.52 -1.13 -4.95 118.95 117.23 1brw s ARG 416 Ca 0.43 0.84 0.02 0.00 -0.13 0.00 0.00 55.73 56.89 1brw s ARG 416 Cb -0.13 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1brw s ARG 416 CO 0.20 -0.29 0.38 -0.51 -0.81 0.00 0.00 175.30 174.27 1brw s LEU 417 N 2.49 4.25 0.03 -0.88 1.43 -1.26 -0.56 118.68 124.18 1brw s LEU 417 Ca 0.01 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1brw s LEU 417 Cb -0.12 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1brw s LEU 417 CO -0.10 -0.07 -0.10 -0.55 0.23 0.00 0.00 176.35 175.77 1brw s SER 418 N -3.59 1.10 0.47 2.29 0.15 0.19 -4.85 113.70 109.46 1brw s SER 418 Ca 0.36 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 56.89 1brw s SER 418 Cb -0.10 -0.05 0.65 0.00 -1.71 0.00 0.00 66.02 64.81 1brw s SER 418 CO 0.30 -0.04 1.72 1.55 1.20 0.00 0.00 173.24 177.98 1brw h PRO 419 N 5.10 0.00 -6.52 5.44 0.13 -1.86 0.33 132.00 134.62 1brw h PRO 419 Ca -0.34 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.12 1brw h PRO 419 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1brw h PRO 419 CO 0.45 0.02 -0.74 -0.65 -0.23 0.00 0.00 178.00 176.85 1brw s GLN 420 N -3.35 2.18 0.23 0.86 -0.21 -1.26 -4.80 119.66 113.32 1brw s GLN 420 Ca 0.05 -0.98 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 1brw s GLN 420 Cb 0.06 -2.32 -0.15 0.00 1.00 0.00 0.00 33.01 31.60 1brw s GLN 420 CO 0.63 0.52 0.95 -2.30 -2.12 0.00 0.00 175.29 172.98 1brw n PRO 421 N 0.89 0.97 -4.32 2.91 -0.02 -1.26 -4.70 135.00 129.47 1brw n PRO 421 Ca -0.14 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1brw n PRO 421 Cb 0.52 -1.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.24 1brw n PRO 421 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1brw s VAL 422 N -0.78 4.13 -0.13 -1.45 1.01 -1.26 -5.09 120.40 116.83 1brw s VAL 422 Ca 0.65 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1brw s VAL 422 Cb -0.81 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1brw s VAL 422 CO 0.57 0.42 1.07 0.00 0.00 0.00 0.00 175.10 177.16 1brw s ALA 423 N -1.04 3.51 0.21 5.51 0.00 -1.26 -4.66 121.76 124.04 1brw s ALA 423 Ca 0.18 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1brw s ALA 423 Cb -0.11 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1brw s ALA 423 CO 0.08 -0.79 1.11 1.03 0.00 0.00 0.00 175.76 177.19 1brw s ARG 424 N 2.47 4.60 0.64 0.00 0.52 -1.26 -4.90 118.95 121.03 1brw s ARG 424 Ca 0.49 1.77 -0.15 0.00 -0.52 0.00 0.00 55.73 57.32 1brw s ARG 424 Cb -0.19 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 1brw s ARG 424 CO 0.15 0.10 1.09 -1.25 0.02 0.00 0.00 175.30 175.42 1brw s PRO 425 N -0.72 2.97 0.22 3.54 0.04 -1.26 -4.99 135.00 134.79 1brw s PRO 425 Ca 0.48 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1brw s PRO 425 Cb -0.31 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1brw s PRO 425 CO 0.37 -1.10 1.16 -2.14 0.04 0.00 0.00 177.00 175.33 1brw s PRO 426 N -4.17 4.54 0.11 0.56 0.02 -1.26 -4.94 135.00 129.85 1brw s PRO 426 Ca 0.65 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 63.36 1brw s PRO 426 Cb -0.18 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 1brw s PRO 426 CO 0.41 0.01 1.55 1.25 -0.33 0.00 0.00 177.00 179.90 1brw h LEU 427 N 4.74 0.58 -8.15 -5.54 5.85 -1.95 -3.37 115.31 107.47 1brw h LEU 427 Ca -0.45 -0.30 -0.67 0.00 0.84 0.00 0.00 57.88 57.29 1brw h LEU 427 Cb 1.21 -0.16 -0.34 0.00 0.37 0.00 0.00 40.66 41.75 1brw h LEU 427 CO 0.72 0.74 -0.86 -0.63 -0.34 0.00 0.00 178.44 178.06 1brw s ILE 428 N -5.02 2.09 -0.13 4.05 1.01 -1.26 -0.85 121.20 121.09 1brw s ILE 428 Ca -0.13 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.31 1brw s ILE 428 Cb 0.09 -1.85 -0.26 0.00 0.01 0.00 0.00 42.46 40.45 1brw s ILE 428 CO 0.77 0.54 0.69 1.88 0.00 0.00 0.00 174.94 178.83 1brw h TYR 429 N 7.58 0.14 -2.46 3.97 -1.99 -0.46 -3.49 116.97 120.25 1brw h TYR 429 Ca -0.38 -0.10 0.06 0.00 2.00 0.00 0.00 58.73 60.31 1brw h TYR 429 Cb 1.17 -0.01 -0.15 0.00 2.00 0.00 0.00 36.73 39.75 1brw h TYR 429 CO 0.47 1.17 0.39 -1.83 -0.00 0.00 0.00 178.16 178.36 1brw s GLU 430 N -2.30 0.97 -0.13 4.88 -1.05 -1.24 -5.01 118.70 114.83 1brw s GLU 430 Ca -0.20 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.35 1brw s GLU 430 Cb -0.00 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1brw s GLU 430 CO 0.71 -0.41 -0.21 0.99 0.95 0.00 0.00 175.26 177.29 1brw s THR 431 N -3.11 2.25 -0.26 1.83 2.01 -1.26 -1.31 115.64 115.79 1brw s THR 431 Ca 0.02 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1brw s THR 431 Cb -0.01 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1brw s THR 431 CO -0.09 0.54 0.03 -0.63 -0.69 0.00 0.00 174.62 173.78 1brw s ILE 432 N 0.64 3.69 -0.20 1.82 1.01 0.68 -5.00 121.20 123.84 1brw s ILE 432 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1brw s ILE 432 Cb -0.16 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.50 1brw s ILE 432 CO 0.02 0.22 0.55 1.33 0.00 0.00 0.00 174.94 177.06